----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:46:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.224504189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.661969640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.001957120000000 Atomic positions (fractional): *1 O 0.60120950654273 0.25000000000000 0.42263694201964 15.999 2 O 0.39879049345727 0.75000000000000 0.57736305798036 15.999 3 O 0.89879049345727 0.75000000000000 0.92263694201964 15.999 4 O 0.10120950654273 0.25000000000000 0.07736305798036 15.999 *5 O 0.27549815218015 0.99995772363912 0.86034467992240 15.999 6 O 0.72450184781985 0.49995772363912 0.13965532007760 15.999 7 O 0.22450184781985 0.00004227636088 0.36034467992240 15.999 8 O 0.77549815218015 0.50004227636088 0.63965532007760 15.999 9 O 0.72450184781985 0.00004227636088 0.13965532007760 15.999 10 O 0.27549815218015 0.50004227636088 0.86034467992240 15.999 11 O 0.77549815218015 0.99995772363912 0.63965532007760 15.999 12 O 0.22450184781985 0.49995772363912 0.36034467992240 15.999 *13 O 0.06539025691742 0.49876586260582 0.66484935032144 15.999 14 O 0.93460974308258 0.99876586260582 0.33515064967856 15.999 15 O 0.43460974308258 0.50123413739418 0.16484935032144 15.999 16 O 0.56539025691742 0.00123413739418 0.83515064967856 15.999 17 O 0.43460974308258 0.99876586260582 0.16484935032144 15.999 18 O 0.56539025691742 0.49876586260582 0.83515064967856 15.999 19 O 0.06539025691742 0.00123413739418 0.66484935032144 15.999 20 O 0.93460974308258 0.50123413739418 0.33515064967856 15.999 *21 Zn 0.15073707418451 0.25000000000000 0.80907406185061 65.380 22 Zn 0.84926292581549 0.75000000000000 0.19092593814939 65.380 23 Zn 0.34926292581549 0.75000000000000 0.30907406185061 65.380 24 Zn 0.65073707418451 0.25000000000000 0.69092593814939 65.380 *25 Ba 0.10088697058391 0.75000000000000 0.07748264804814 137.327 26 Ba 0.60088697058391 0.75000000000000 0.42251735195186 137.327 27 Ba 0.39911302941609 0.25000000000000 0.57748264804814 137.327 28 Ba 0.89911302941609 0.25000000000000 0.92251735195186 137.327 *29 Ho 0.07460338869454 0.25000000000000 0.40105963505631 164.930 *30 Ho 0.20779478114696 0.75000000000000 0.62037410213802 164.930 31 Ho 0.70779478114696 0.75000000000000 0.87962589786198 164.930 32 Ho 0.29220521885304 0.25000000000000 0.12037410213802 164.930 33 Ho 0.92539661130546 0.75000000000000 0.59894036494369 164.930 34 Ho 0.42539661130546 0.75000000000000 0.90105963505631 164.930 35 Ho 0.57460338869454 0.25000000000000 0.09894036494369 164.930 36 Ho 0.79220521885304 0.25000000000000 0.37962589786198 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.224504189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.661969640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.001957120000000 Atomic positions (fractional): *1 O 0.60120950654273 0.25000000000000 0.42263694201964 15.999 > 1 2 O 0.39879049345727 0.75000000000000 0.57736305798036 15.999 > 2 3 O 0.89879049345727 0.75000000000000 0.92263694201964 15.999 > 3 4 O 0.10120950654273 0.25000000000000 0.07736305798036 15.999 > 4 *5 O 0.27549815218015 0.99995772363912 0.86034467992240 15.999 > 5 6 O 0.72450184781985 0.49995772363912 0.13965532007760 15.999 > 6 7 O 0.22450184781985 0.00004227636088 0.36034467992240 15.999 > 7 8 O 0.77549815218015 0.50004227636088 0.63965532007760 15.999 > 8 9 O 0.72450184781985 0.00004227636088 0.13965532007760 15.999 > 9 10 O 0.27549815218015 0.50004227636088 0.86034467992240 15.999 > 10 11 O 0.77549815218015 0.99995772363912 0.63965532007760 15.999 > 11 12 O 0.22450184781985 0.49995772363912 0.36034467992240 15.999 > 12 *13 O 0.06539025691742 0.49876586260582 0.66484935032144 15.999 > 13 14 O 0.93460974308258 0.99876586260582 0.33515064967856 15.999 > 14 15 O 0.43460974308258 0.50123413739418 0.16484935032144 15.999 > 15 16 O 0.56539025691742 0.00123413739418 0.83515064967856 15.999 > 16 17 O 0.43460974308258 0.99876586260582 0.16484935032144 15.999 > 17 18 O 0.56539025691742 0.49876586260582 0.83515064967856 15.999 > 18 19 O 0.06539025691742 0.00123413739418 0.66484935032144 15.999 > 19 20 O 0.93460974308258 0.50123413739418 0.33515064967856 15.999 > 20 *21 Zn 0.15073707418451 0.25000000000000 0.80907406185061 65.380 > 21 22 Zn 0.84926292581549 0.75000000000000 0.19092593814939 65.380 > 22 23 Zn 0.34926292581549 0.75000000000000 0.30907406185061 65.380 > 23 24 Zn 0.65073707418451 0.25000000000000 0.69092593814939 65.380 > 24 *25 Ba 0.10088697058391 0.75000000000000 0.07748264804814 137.327 > 25 26 Ba 0.60088697058391 0.75000000000000 0.42251735195186 137.327 > 26 27 Ba 0.39911302941609 0.25000000000000 0.57748264804814 137.327 > 27 28 Ba 0.89911302941609 0.25000000000000 0.92251735195186 137.327 > 28 *29 Ho 0.07460338869454 0.25000000000000 0.40105963505631 164.930 > 29 *30 Ho 0.20779478114696 0.75000000000000 0.62037410213802 164.930 > 30 31 Ho 0.70779478114696 0.75000000000000 0.87962589786198 164.930 > 31 32 Ho 0.29220521885304 0.25000000000000 0.12037410213802 164.930 > 32 33 Ho 0.92539661130546 0.75000000000000 0.59894036494369 164.930 > 33 34 Ho 0.42539661130546 0.75000000000000 0.90105963505631 164.930 > 34 35 Ho 0.57460338869454 0.25000000000000 0.09894036494369 164.930 > 35 36 Ho 0.79220521885304 0.25000000000000 0.37962589786198 164.930 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.224504189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.323939279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.003914240000000 Atomic positions (fractional): *1 O 0.60120950654273 0.12500000000000 0.21131847100982 15.999 > 1 2 O 0.60120950654273 0.62500000000000 0.21131847100982 15.999 > 1 3 O 0.60120950654273 0.12500000000000 0.71131847100982 15.999 > 1 4 O 0.60120950654273 0.62500000000000 0.71131847100982 15.999 > 1 5 O 0.39879049345727 0.37500000000000 0.28868152899018 15.999 > 2 6 O 0.39879049345727 0.87500000000000 0.28868152899018 15.999 > 2 7 O 0.39879049345727 0.37500000000000 0.78868152899018 15.999 > 2 8 O 0.39879049345727 0.87500000000000 0.78868152899018 15.999 > 2 9 O 0.89879049345727 0.37500000000000 0.46131847100982 15.999 > 3 10 O 0.89879049345727 0.87500000000000 0.46131847100982 15.999 > 3 11 O 0.89879049345727 0.37500000000000 0.96131847100982 15.999 > 3 12 O 0.89879049345727 0.87500000000000 0.96131847100982 15.999 > 3 13 O 0.10120950654273 0.12500000000000 0.03868152899018 15.999 > 4 14 O 0.10120950654273 0.62500000000000 0.03868152899018 15.999 > 4 15 O 0.10120950654273 0.12500000000000 0.53868152899018 15.999 > 4 16 O 0.10120950654273 0.62500000000000 0.53868152899018 15.999 > 4 *17 O 0.27549815218015 0.49997886181956 0.43017233996120 15.999 > 5 18 O 0.27549815218015 0.99997886181956 0.43017233996120 15.999 > 5 19 O 0.27549815218015 0.49997886181956 0.93017233996120 15.999 > 5 20 O 0.27549815218015 0.99997886181956 0.93017233996120 15.999 > 5 21 O 0.72450184781985 0.24997886181956 0.06982766003880 15.999 > 6 22 O 0.72450184781985 0.74997886181956 0.06982766003880 15.999 > 6 23 O 0.72450184781985 0.24997886181956 0.56982766003880 15.999 > 6 24 O 0.72450184781985 0.74997886181956 0.56982766003880 15.999 > 6 25 O 0.22450184781985 0.00002113818044 0.18017233996120 15.999 > 7 26 O 0.22450184781985 0.50002113818044 0.18017233996120 15.999 > 7 27 O 0.22450184781985 0.00002113818044 0.68017233996120 15.999 > 7 28 O 0.22450184781985 0.50002113818044 0.68017233996120 15.999 > 7 29 O 0.77549815218015 0.25002113818044 0.31982766003880 15.999 > 8 30 O 0.77549815218015 0.75002113818044 0.31982766003880 15.999 > 8 31 O 0.77549815218015 0.25002113818044 0.81982766003880 15.999 > 8 32 O 0.77549815218015 0.75002113818044 0.81982766003880 15.999 > 8 33 O 0.72450184781985 0.00002113818044 0.06982766003880 15.999 > 9 34 O 0.72450184781985 0.50002113818044 0.06982766003880 15.999 > 9 35 O 0.72450184781985 0.00002113818044 0.56982766003880 15.999 > 9 36 O 0.72450184781985 0.50002113818044 0.56982766003880 15.999 > 9 37 O 0.27549815218015 0.25002113818044 0.43017233996120 15.999 > 10 38 O 0.27549815218015 0.75002113818044 0.43017233996120 15.999 > 10 39 O 0.27549815218015 0.25002113818044 0.93017233996120 15.999 > 10 40 O 0.27549815218015 0.75002113818044 0.93017233996120 15.999 > 10 41 O 0.77549815218015 0.49997886181956 0.31982766003880 15.999 > 11 42 O 0.77549815218015 0.99997886181956 0.31982766003880 15.999 > 11 43 O 0.77549815218015 0.49997886181956 0.81982766003880 15.999 > 11 44 O 0.77549815218015 0.99997886181956 0.81982766003880 15.999 > 11 45 O 0.22450184781985 0.24997886181956 0.18017233996120 15.999 > 12 46 O 0.22450184781985 0.74997886181956 0.18017233996120 15.999 > 12 47 O 0.22450184781985 0.24997886181956 0.68017233996120 15.999 > 12 48 O 0.22450184781985 0.74997886181956 0.68017233996120 15.999 > 12 *49 O 0.06539025691742 0.24938293130291 0.33242467516072 15.999 > 13 50 O 0.06539025691742 0.74938293130291 0.33242467516072 15.999 > 13 51 O 0.06539025691742 0.24938293130291 0.83242467516072 15.999 > 13 52 O 0.06539025691742 0.74938293130291 0.83242467516072 15.999 > 13 53 O 0.93460974308258 0.49938293130291 0.16757532483928 15.999 > 14 54 O 0.93460974308258 0.99938293130291 0.16757532483928 15.999 > 14 55 O 0.93460974308258 0.49938293130291 0.66757532483928 15.999 > 14 56 O 0.93460974308258 0.99938293130291 0.66757532483928 15.999 > 14 57 O 0.43460974308258 0.25061706869709 0.08242467516072 15.999 > 15 58 O 0.43460974308258 0.75061706869709 0.08242467516072 15.999 > 15 59 O 0.43460974308258 0.25061706869709 0.58242467516072 15.999 > 15 60 O 0.43460974308258 0.75061706869709 0.58242467516072 15.999 > 15 61 O 0.56539025691742 0.00061706869709 0.41757532483928 15.999 > 16 62 O 0.56539025691742 0.50061706869709 0.41757532483928 15.999 > 16 63 O 0.56539025691742 0.00061706869709 0.91757532483928 15.999 > 16 64 O 0.56539025691742 0.50061706869709 0.91757532483928 15.999 > 16 65 O 0.43460974308258 0.49938293130291 0.08242467516072 15.999 > 17 66 O 0.43460974308258 0.99938293130291 0.08242467516072 15.999 > 17 67 O 0.43460974308258 0.49938293130291 0.58242467516072 15.999 > 17 68 O 0.43460974308258 0.99938293130291 0.58242467516072 15.999 > 17 69 O 0.56539025691742 0.24938293130291 0.41757532483928 15.999 > 18 70 O 0.56539025691742 0.74938293130291 0.41757532483928 15.999 > 18 71 O 0.56539025691742 0.24938293130291 0.91757532483928 15.999 > 18 72 O 0.56539025691742 0.74938293130291 0.91757532483928 15.999 > 18 73 O 0.06539025691742 0.00061706869709 0.33242467516072 15.999 > 19 74 O 0.06539025691742 0.50061706869709 0.33242467516072 15.999 > 19 75 O 0.06539025691742 0.00061706869709 0.83242467516072 15.999 > 19 76 O 0.06539025691742 0.50061706869709 0.83242467516072 15.999 > 19 77 O 0.93460974308258 0.25061706869709 0.16757532483928 15.999 > 20 78 O 0.93460974308258 0.75061706869709 0.16757532483928 15.999 > 20 79 O 0.93460974308258 0.25061706869709 0.66757532483928 15.999 > 20 80 O 0.93460974308258 0.75061706869709 0.66757532483928 15.999 > 20 *81 Zn 0.15073707418451 0.12500000000000 0.40453703092530 65.380 > 21 82 Zn 0.15073707418451 0.62500000000000 0.40453703092530 65.380 > 21 83 Zn 0.15073707418451 0.12500000000000 0.90453703092530 65.380 > 21 84 Zn 0.15073707418451 0.62500000000000 0.90453703092530 65.380 > 21 85 Zn 0.84926292581549 0.37500000000000 0.09546296907470 65.380 > 22 86 Zn 0.84926292581549 0.87500000000000 0.09546296907470 65.380 > 22 87 Zn 0.84926292581549 0.37500000000000 0.59546296907470 65.380 > 22 88 Zn 0.84926292581549 0.87500000000000 0.59546296907470 65.380 > 22 89 Zn 0.34926292581549 0.37500000000000 0.15453703092530 65.380 > 23 90 Zn 0.34926292581549 0.87500000000000 0.15453703092530 65.380 > 23 91 Zn 0.34926292581549 0.37500000000000 0.65453703092530 65.380 > 23 92 Zn 0.34926292581549 0.87500000000000 0.65453703092530 65.380 > 23 93 Zn 0.65073707418451 0.12500000000000 0.34546296907470 65.380 > 24 94 Zn 0.65073707418451 0.62500000000000 0.34546296907470 65.380 > 24 95 Zn 0.65073707418451 0.12500000000000 0.84546296907470 65.380 > 24 96 Zn 0.65073707418451 0.62500000000000 0.84546296907470 65.380 > 24 *97 Ba 0.10088697058391 0.37500000000000 0.03874132402407 137.327 > 25 98 Ba 0.10088697058391 0.87500000000000 0.03874132402407 137.327 > 25 99 Ba 0.10088697058391 0.37500000000000 0.53874132402407 137.327 > 25 100 Ba 0.10088697058391 0.87500000000000 0.53874132402407 137.327 > 25 101 Ba 0.60088697058391 0.37500000000000 0.21125867597593 137.327 > 26 102 Ba 0.60088697058391 0.87500000000000 0.21125867597593 137.327 > 26 103 Ba 0.60088697058391 0.37500000000000 0.71125867597593 137.327 > 26 104 Ba 0.60088697058391 0.87500000000000 0.71125867597593 137.327 > 26 105 Ba 0.39911302941609 0.12500000000000 0.28874132402407 137.327 > 27 106 Ba 0.39911302941609 0.62500000000000 0.28874132402407 137.327 > 27 107 Ba 0.39911302941609 0.12500000000000 0.78874132402407 137.327 > 27 108 Ba 0.39911302941609 0.62500000000000 0.78874132402407 137.327 > 27 109 Ba 0.89911302941609 0.12500000000000 0.46125867597593 137.327 > 28 110 Ba 0.89911302941609 0.62500000000000 0.46125867597593 137.327 > 28 111 Ba 0.89911302941609 0.12500000000000 0.96125867597593 137.327 > 28 112 Ba 0.89911302941609 0.62500000000000 0.96125867597593 137.327 > 28 *113 Ho 0.07460338869454 0.12500000000000 0.20052981752816 164.930 > 29 114 Ho 0.07460338869454 0.62500000000000 0.20052981752816 164.930 > 29 115 Ho 0.07460338869454 0.12500000000000 0.70052981752816 164.930 > 29 116 Ho 0.07460338869454 0.62500000000000 0.70052981752816 164.930 > 29 *117 Ho 0.20779478114696 0.37500000000000 0.31018705106901 164.930 > 30 118 Ho 0.20779478114696 0.87500000000000 0.31018705106901 164.930 > 30 119 Ho 0.20779478114696 0.37500000000000 0.81018705106901 164.930 > 30 120 Ho 0.20779478114696 0.87500000000000 0.81018705106901 164.930 > 30 121 Ho 0.70779478114696 0.37500000000000 0.43981294893099 164.930 > 31 122 Ho 0.70779478114696 0.87500000000000 0.43981294893099 164.930 > 31 123 Ho 0.70779478114696 0.37500000000000 0.93981294893099 164.930 > 31 124 Ho 0.70779478114696 0.87500000000000 0.93981294893099 164.930 > 31 125 Ho 0.29220521885304 0.12500000000000 0.06018705106901 164.930 > 32 126 Ho 0.29220521885304 0.62500000000000 0.06018705106901 164.930 > 32 127 Ho 0.29220521885304 0.12500000000000 0.56018705106901 164.930 > 32 128 Ho 0.29220521885304 0.62500000000000 0.56018705106901 164.930 > 32 129 Ho 0.92539661130546 0.37500000000000 0.29947018247184 164.930 > 33 130 Ho 0.92539661130546 0.87500000000000 0.29947018247184 164.930 > 33 131 Ho 0.92539661130546 0.37500000000000 0.79947018247184 164.930 > 33 132 Ho 0.92539661130546 0.87500000000000 0.79947018247184 164.930 > 33 133 Ho 0.42539661130546 0.37500000000000 0.45052981752816 164.930 > 34 134 Ho 0.42539661130546 0.87500000000000 0.45052981752816 164.930 > 34 135 Ho 0.42539661130546 0.37500000000000 0.95052981752816 164.930 > 34 136 Ho 0.42539661130546 0.87500000000000 0.95052981752816 164.930 > 34 137 Ho 0.57460338869454 0.12500000000000 0.04947018247184 164.930 > 35 138 Ho 0.57460338869454 0.62500000000000 0.04947018247184 164.930 > 35 139 Ho 0.57460338869454 0.12500000000000 0.54947018247184 164.930 > 35 140 Ho 0.57460338869454 0.62500000000000 0.54947018247184 164.930 > 35 141 Ho 0.79220521885304 0.12500000000000 0.18981294893099 164.930 > 36 142 Ho 0.79220521885304 0.62500000000000 0.18981294893099 164.930 > 36 143 Ho 0.79220521885304 0.12500000000000 0.68981294893099 164.930 > 36 144 Ho 0.79220521885304 0.62500000000000 0.68981294893099 164.930 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6660192 0.0000000 0.0000000 0.0000000 4.6235889 0.0000000 0.0000000 0.0000000 4.5592374 -------------------------- Born effective charges -------------------------- 1 O -2.5622563 0.0000000 -0.0597767 0.0000000 -2.0576312 0.0000000 -0.0359084 0.0000000 -2.8628934 2 O -2.5622563 0.0000000 -0.0597767 0.0000000 -2.0576312 0.0000000 -0.0359084 0.0000000 -2.8628934 3 O -2.5622563 0.0000000 0.0597767 0.0000000 -2.0576312 0.0000000 0.0359084 0.0000000 -2.8628934 4 O -2.5622563 0.0000000 0.0597767 0.0000000 -2.0576312 0.0000000 0.0359084 0.0000000 -2.8628934 5 O -2.3775682 0.2777355 -0.1672140 0.2709124 -2.6823475 -0.4610429 -0.1834207 -0.4256418 -2.4643618 6 O -2.3775682 -0.2777355 -0.1672140 -0.2709124 -2.6823475 0.4610429 -0.1834207 0.4256418 -2.4643618 7 O -2.3775682 0.2777355 0.1672140 0.2709124 -2.6823475 0.4610429 0.1834207 0.4256418 -2.4643618 8 O -2.3775682 -0.2777355 0.1672140 -0.2709124 -2.6823475 -0.4610429 0.1834207 -0.4256418 -2.4643618 9 O -2.3775682 0.2777355 -0.1672140 0.2709124 -2.6823475 -0.4610429 -0.1834207 -0.4256418 -2.4643618 10 O -2.3775682 -0.2777355 -0.1672140 -0.2709124 -2.6823475 0.4610429 -0.1834207 0.4256418 -2.4643618 11 O -2.3775682 0.2777355 0.1672140 0.2709124 -2.6823475 0.4610429 0.1834207 0.4256418 -2.4643618 12 O -2.3775682 -0.2777355 0.1672140 -0.2709124 -2.6823475 -0.4610429 0.1834207 -0.4256418 -2.4643618 13 O -2.5864634 0.1202344 -0.1694211 0.1728670 -2.6056848 0.0212837 -0.0777061 -0.0213140 -2.1161876 14 O -2.5864634 -0.1202344 -0.1694211 -0.1728670 -2.6056848 -0.0212837 -0.0777061 0.0213140 -2.1161876 15 O -2.5864634 0.1202344 0.1694211 0.1728670 -2.6056848 -0.0212837 0.0777061 0.0213140 -2.1161876 16 O -2.5864634 -0.1202344 0.1694211 -0.1728670 -2.6056848 0.0212837 0.0777061 -0.0213140 -2.1161876 17 O -2.5864634 -0.1202344 0.1694211 -0.1728670 -2.6056848 0.0212837 0.0777061 -0.0213140 -2.1161876 18 O -2.5864634 0.1202344 0.1694211 0.1728670 -2.6056848 -0.0212837 0.0777061 0.0213140 -2.1161876 19 O -2.5864634 -0.1202344 -0.1694211 -0.1728670 -2.6056848 -0.0212837 -0.0777061 0.0213140 -2.1161876 20 O -2.5864634 0.1202344 -0.1694211 0.1728670 -2.6056848 0.0212837 -0.0777061 -0.0213140 -2.1161876 21 Zn 1.9934183 0.0000000 0.3042950 0.0000000 2.3151076 0.0000000 0.2836379 0.0000000 1.8637914 22 Zn 1.9934183 0.0000000 0.3042950 0.0000000 2.3151076 0.0000000 0.2836379 0.0000000 1.8637914 23 Zn 1.9934183 0.0000000 -0.3042950 0.0000000 2.3151076 0.0000000 -0.2836379 0.0000000 1.8637914 24 Zn 1.9934183 0.0000000 -0.3042950 0.0000000 2.3151076 0.0000000 -0.2836379 0.0000000 1.8637914 25 Ba 2.8718178 0.0000000 0.1333494 0.0000000 2.9095475 0.0000000 0.0852812 0.0000000 2.6056365 26 Ba 2.8718178 0.0000000 -0.1333494 0.0000000 2.9095475 0.0000000 -0.0852812 0.0000000 2.6056365 27 Ba 2.8718178 0.0000000 -0.1333494 0.0000000 2.9095475 0.0000000 -0.0852812 0.0000000 2.6056365 28 Ba 2.8718178 0.0000000 0.1333494 0.0000000 2.9095475 0.0000000 0.0852812 0.0000000 2.6056365 29 Ho 3.9861076 0.0000000 0.0012693 0.0000000 3.6884831 0.0000000 -0.1026717 0.0000000 3.7998795 30 Ho 3.6389758 0.0000000 -0.0814580 0.0000000 3.7205576 0.0000000 -0.1111000 0.0000000 3.7546850 31 Ho 3.6389758 0.0000000 0.0814580 0.0000000 3.7205576 0.0000000 0.1111000 0.0000000 3.7546850 32 Ho 3.6389758 0.0000000 0.0814580 0.0000000 3.7205576 0.0000000 0.1111000 0.0000000 3.7546850 33 Ho 3.9861076 0.0000000 0.0012693 0.0000000 3.6884831 0.0000000 -0.1026717 0.0000000 3.7998795 34 Ho 3.9861076 0.0000000 -0.0012693 0.0000000 3.6884831 0.0000000 0.1026717 0.0000000 3.7998795 35 Ho 3.9861076 0.0000000 -0.0012693 0.0000000 3.6884831 0.0000000 0.1026717 0.0000000 3.7998795 36 Ho 3.6389758 0.0000000 -0.0814580 0.0000000 3.7205576 0.0000000 -0.1111000 0.0000000 3.7546850 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 560 - Time: 1.185 Solver_block: 200 / 560 - Time: 1.228 Solver_block: 300 / 560 - Time: 2.558 Solver_block: 400 / 560 - Time: 0.932 Solver_block: 500 / 560 - Time: 2.681 Solver_block: 560 / 560 - Time: 1.881 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.464 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:47:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:47:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.224504189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.661969640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.001957120000000 Atomic positions (fractional): 1 O 0.60120950654273 0.25000000000000 0.42263694201964 15.999 2 O 0.39879049345727 0.75000000000000 0.57736305798036 15.999 3 O 0.89879049345727 0.75000000000000 0.92263694201964 15.999 4 O 0.10120950654273 0.25000000000000 0.07736305798036 15.999 5 O 0.27549815218015 0.99995772363912 0.86034467992240 15.999 6 O 0.72450184781985 0.49995772363912 0.13965532007760 15.999 7 O 0.22450184781985 0.00004227636088 0.36034467992240 15.999 8 O 0.77549815218015 0.50004227636088 0.63965532007760 15.999 9 O 0.72450184781985 0.00004227636088 0.13965532007760 15.999 10 O 0.27549815218015 0.50004227636088 0.86034467992240 15.999 11 O 0.77549815218015 0.99995772363912 0.63965532007760 15.999 12 O 0.22450184781985 0.49995772363912 0.36034467992240 15.999 13 O 0.06539025691742 0.49876586260582 0.66484935032144 15.999 14 O 0.93460974308258 0.99876586260582 0.33515064967856 15.999 15 O 0.43460974308258 0.50123413739418 0.16484935032144 15.999 16 O 0.56539025691742 0.00123413739418 0.83515064967856 15.999 17 O 0.43460974308258 0.99876586260582 0.16484935032144 15.999 18 O 0.56539025691742 0.49876586260582 0.83515064967856 15.999 19 O 0.06539025691742 0.00123413739418 0.66484935032144 15.999 20 O 0.93460974308258 0.50123413739418 0.33515064967856 15.999 21 Zn 0.15073707418451 0.25000000000000 0.80907406185061 65.380 22 Zn 0.84926292581549 0.75000000000000 0.19092593814939 65.380 23 Zn 0.34926292581549 0.75000000000000 0.30907406185061 65.380 24 Zn 0.65073707418451 0.25000000000000 0.69092593814939 65.380 25 Ba 0.10088697058391 0.75000000000000 0.07748264804814 137.327 26 Ba 0.60088697058391 0.75000000000000 0.42251735195186 137.327 27 Ba 0.39911302941609 0.25000000000000 0.57748264804814 137.327 28 Ba 0.89911302941609 0.25000000000000 0.92251735195186 137.327 29 Ho 0.07460338869454 0.25000000000000 0.40105963505631 164.930 30 Ho 0.20779478114696 0.75000000000000 0.62037410213802 164.930 31 Ho 0.70779478114696 0.75000000000000 0.87962589786198 164.930 32 Ho 0.29220521885304 0.25000000000000 0.12037410213802 164.930 33 Ho 0.92539661130546 0.75000000000000 0.59894036494369 164.930 34 Ho 0.42539661130546 0.75000000000000 0.90105963505631 164.930 35 Ho 0.57460338869454 0.25000000000000 0.09894036494369 164.930 36 Ho 0.79220521885304 0.25000000000000 0.37962589786198 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.224504189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.323939279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.003914240000000 Atomic positions (fractional): 1 O 0.60120950654273 0.12500000000000 0.21131847100982 15.999 > 1 2 O 0.60120950654273 0.62500000000000 0.21131847100982 15.999 > 1 3 O 0.60120950654273 0.12500000000000 0.71131847100982 15.999 > 1 4 O 0.60120950654273 0.62500000000000 0.71131847100982 15.999 > 1 5 O 0.39879049345727 0.37500000000000 0.28868152899018 15.999 > 5 6 O 0.39879049345727 0.87500000000000 0.28868152899018 15.999 > 5 7 O 0.39879049345727 0.37500000000000 0.78868152899018 15.999 > 5 8 O 0.39879049345727 0.87500000000000 0.78868152899018 15.999 > 5 9 O 0.89879049345727 0.37500000000000 0.46131847100982 15.999 > 9 10 O 0.89879049345727 0.87500000000000 0.46131847100982 15.999 > 9 11 O 0.89879049345727 0.37500000000000 0.96131847100982 15.999 > 9 12 O 0.89879049345727 0.87500000000000 0.96131847100982 15.999 > 9 13 O 0.10120950654273 0.12500000000000 0.03868152899018 15.999 > 13 14 O 0.10120950654273 0.62500000000000 0.03868152899018 15.999 > 13 15 O 0.10120950654273 0.12500000000000 0.53868152899018 15.999 > 13 16 O 0.10120950654273 0.62500000000000 0.53868152899018 15.999 > 13 17 O 0.27549815218015 0.49997886181956 0.43017233996120 15.999 > 17 18 O 0.27549815218015 0.99997886181956 0.43017233996120 15.999 > 17 19 O 0.27549815218015 0.49997886181956 0.93017233996120 15.999 > 17 20 O 0.27549815218015 0.99997886181956 0.93017233996120 15.999 > 17 21 O 0.72450184781985 0.24997886181956 0.06982766003880 15.999 > 21 22 O 0.72450184781985 0.74997886181956 0.06982766003880 15.999 > 21 23 O 0.72450184781985 0.24997886181956 0.56982766003880 15.999 > 21 24 O 0.72450184781985 0.74997886181956 0.56982766003880 15.999 > 21 25 O 0.22450184781985 0.00002113818044 0.18017233996120 15.999 > 25 26 O 0.22450184781985 0.50002113818044 0.18017233996120 15.999 > 25 27 O 0.22450184781985 0.00002113818044 0.68017233996120 15.999 > 25 28 O 0.22450184781985 0.50002113818044 0.68017233996120 15.999 > 25 29 O 0.77549815218015 0.25002113818044 0.31982766003880 15.999 > 29 30 O 0.77549815218015 0.75002113818044 0.31982766003880 15.999 > 29 31 O 0.77549815218015 0.25002113818044 0.81982766003880 15.999 > 29 32 O 0.77549815218015 0.75002113818044 0.81982766003880 15.999 > 29 33 O 0.72450184781985 0.00002113818044 0.06982766003880 15.999 > 33 34 O 0.72450184781985 0.50002113818044 0.06982766003880 15.999 > 33 35 O 0.72450184781985 0.00002113818044 0.56982766003880 15.999 > 33 36 O 0.72450184781985 0.50002113818044 0.56982766003880 15.999 > 33 37 O 0.27549815218015 0.25002113818044 0.43017233996120 15.999 > 37 38 O 0.27549815218015 0.75002113818044 0.43017233996120 15.999 > 37 39 O 0.27549815218015 0.25002113818044 0.93017233996120 15.999 > 37 40 O 0.27549815218015 0.75002113818044 0.93017233996120 15.999 > 37 41 O 0.77549815218015 0.49997886181956 0.31982766003880 15.999 > 41 42 O 0.77549815218015 0.99997886181956 0.31982766003880 15.999 > 41 43 O 0.77549815218015 0.49997886181956 0.81982766003880 15.999 > 41 44 O 0.77549815218015 0.99997886181956 0.81982766003880 15.999 > 41 45 O 0.22450184781985 0.24997886181956 0.18017233996120 15.999 > 45 46 O 0.22450184781985 0.74997886181956 0.18017233996120 15.999 > 45 47 O 0.22450184781985 0.24997886181956 0.68017233996120 15.999 > 45 48 O 0.22450184781985 0.74997886181956 0.68017233996120 15.999 > 45 49 O 0.06539025691742 0.24938293130291 0.33242467516072 15.999 > 49 50 O 0.06539025691742 0.74938293130291 0.33242467516072 15.999 > 49 51 O 0.06539025691742 0.24938293130291 0.83242467516072 15.999 > 49 52 O 0.06539025691742 0.74938293130291 0.83242467516072 15.999 > 49 53 O 0.93460974308258 0.49938293130291 0.16757532483928 15.999 > 53 54 O 0.93460974308258 0.99938293130291 0.16757532483928 15.999 > 53 55 O 0.93460974308258 0.49938293130291 0.66757532483928 15.999 > 53 56 O 0.93460974308258 0.99938293130291 0.66757532483928 15.999 > 53 57 O 0.43460974308258 0.25061706869709 0.08242467516072 15.999 > 57 58 O 0.43460974308258 0.75061706869709 0.08242467516072 15.999 > 57 59 O 0.43460974308258 0.25061706869709 0.58242467516072 15.999 > 57 60 O 0.43460974308258 0.75061706869709 0.58242467516072 15.999 > 57 61 O 0.56539025691742 0.00061706869709 0.41757532483928 15.999 > 61 62 O 0.56539025691742 0.50061706869709 0.41757532483928 15.999 > 61 63 O 0.56539025691742 0.00061706869709 0.91757532483928 15.999 > 61 64 O 0.56539025691742 0.50061706869709 0.91757532483928 15.999 > 61 65 O 0.43460974308258 0.49938293130291 0.08242467516072 15.999 > 65 66 O 0.43460974308258 0.99938293130291 0.08242467516072 15.999 > 65 67 O 0.43460974308258 0.49938293130291 0.58242467516072 15.999 > 65 68 O 0.43460974308258 0.99938293130291 0.58242467516072 15.999 > 65 69 O 0.56539025691742 0.24938293130291 0.41757532483928 15.999 > 69 70 O 0.56539025691742 0.74938293130291 0.41757532483928 15.999 > 69 71 O 0.56539025691742 0.24938293130291 0.91757532483928 15.999 > 69 72 O 0.56539025691742 0.74938293130291 0.91757532483928 15.999 > 69 73 O 0.06539025691742 0.00061706869709 0.33242467516072 15.999 > 73 74 O 0.06539025691742 0.50061706869709 0.33242467516072 15.999 > 73 75 O 0.06539025691742 0.00061706869709 0.83242467516072 15.999 > 73 76 O 0.06539025691742 0.50061706869709 0.83242467516072 15.999 > 73 77 O 0.93460974308258 0.25061706869709 0.16757532483928 15.999 > 77 78 O 0.93460974308258 0.75061706869709 0.16757532483928 15.999 > 77 79 O 0.93460974308258 0.25061706869709 0.66757532483928 15.999 > 77 80 O 0.93460974308258 0.75061706869709 0.66757532483928 15.999 > 77 81 Zn 0.15073707418451 0.12500000000000 0.40453703092530 65.380 > 81 82 Zn 0.15073707418451 0.62500000000000 0.40453703092530 65.380 > 81 83 Zn 0.15073707418451 0.12500000000000 0.90453703092530 65.380 > 81 84 Zn 0.15073707418451 0.62500000000000 0.90453703092530 65.380 > 81 85 Zn 0.84926292581549 0.37500000000000 0.09546296907470 65.380 > 85 86 Zn 0.84926292581549 0.87500000000000 0.09546296907470 65.380 > 85 87 Zn 0.84926292581549 0.37500000000000 0.59546296907470 65.380 > 85 88 Zn 0.84926292581549 0.87500000000000 0.59546296907470 65.380 > 85 89 Zn 0.34926292581549 0.37500000000000 0.15453703092530 65.380 > 89 90 Zn 0.34926292581549 0.87500000000000 0.15453703092530 65.380 > 89 91 Zn 0.34926292581549 0.37500000000000 0.65453703092530 65.380 > 89 92 Zn 0.34926292581549 0.87500000000000 0.65453703092530 65.380 > 89 93 Zn 0.65073707418451 0.12500000000000 0.34546296907470 65.380 > 93 94 Zn 0.65073707418451 0.62500000000000 0.34546296907470 65.380 > 93 95 Zn 0.65073707418451 0.12500000000000 0.84546296907470 65.380 > 93 96 Zn 0.65073707418451 0.62500000000000 0.84546296907470 65.380 > 93 97 Ba 0.10088697058391 0.37500000000000 0.03874132402407 137.327 > 97 98 Ba 0.10088697058391 0.87500000000000 0.03874132402407 137.327 > 97 99 Ba 0.10088697058391 0.37500000000000 0.53874132402407 137.327 > 97 100 Ba 0.10088697058391 0.87500000000000 0.53874132402407 137.327 > 97 101 Ba 0.60088697058391 0.37500000000000 0.21125867597593 137.327 > 101 102 Ba 0.60088697058391 0.87500000000000 0.21125867597593 137.327 > 101 103 Ba 0.60088697058391 0.37500000000000 0.71125867597593 137.327 > 101 104 Ba 0.60088697058391 0.87500000000000 0.71125867597593 137.327 > 101 105 Ba 0.39911302941609 0.12500000000000 0.28874132402407 137.327 > 105 106 Ba 0.39911302941609 0.62500000000000 0.28874132402407 137.327 > 105 107 Ba 0.39911302941609 0.12500000000000 0.78874132402407 137.327 > 105 108 Ba 0.39911302941609 0.62500000000000 0.78874132402407 137.327 > 105 109 Ba 0.89911302941609 0.12500000000000 0.46125867597593 137.327 > 109 110 Ba 0.89911302941609 0.62500000000000 0.46125867597593 137.327 > 109 111 Ba 0.89911302941609 0.12500000000000 0.96125867597593 137.327 > 109 112 Ba 0.89911302941609 0.62500000000000 0.96125867597593 137.327 > 109 113 Ho 0.07460338869454 0.12500000000000 0.20052981752816 164.930 > 113 114 Ho 0.07460338869454 0.62500000000000 0.20052981752816 164.930 > 113 115 Ho 0.07460338869454 0.12500000000000 0.70052981752816 164.930 > 113 116 Ho 0.07460338869454 0.62500000000000 0.70052981752816 164.930 > 113 117 Ho 0.20779478114696 0.37500000000000 0.31018705106901 164.930 > 117 118 Ho 0.20779478114696 0.87500000000000 0.31018705106901 164.930 > 117 119 Ho 0.20779478114696 0.37500000000000 0.81018705106901 164.930 > 117 120 Ho 0.20779478114696 0.87500000000000 0.81018705106901 164.930 > 117 121 Ho 0.70779478114696 0.37500000000000 0.43981294893099 164.930 > 121 122 Ho 0.70779478114696 0.87500000000000 0.43981294893099 164.930 > 121 123 Ho 0.70779478114696 0.37500000000000 0.93981294893099 164.930 > 121 124 Ho 0.70779478114696 0.87500000000000 0.93981294893099 164.930 > 121 125 Ho 0.29220521885304 0.12500000000000 0.06018705106901 164.930 > 125 126 Ho 0.29220521885304 0.62500000000000 0.06018705106901 164.930 > 125 127 Ho 0.29220521885304 0.12500000000000 0.56018705106901 164.930 > 125 128 Ho 0.29220521885304 0.62500000000000 0.56018705106901 164.930 > 125 129 Ho 0.92539661130546 0.37500000000000 0.29947018247184 164.930 > 129 130 Ho 0.92539661130546 0.87500000000000 0.29947018247184 164.930 > 129 131 Ho 0.92539661130546 0.37500000000000 0.79947018247184 164.930 > 129 132 Ho 0.92539661130546 0.87500000000000 0.79947018247184 164.930 > 129 133 Ho 0.42539661130546 0.37500000000000 0.45052981752816 164.930 > 133 134 Ho 0.42539661130546 0.87500000000000 0.45052981752816 164.930 > 133 135 Ho 0.42539661130546 0.37500000000000 0.95052981752816 164.930 > 133 136 Ho 0.42539661130546 0.87500000000000 0.95052981752816 164.930 > 133 137 Ho 0.57460338869454 0.12500000000000 0.04947018247184 164.930 > 137 138 Ho 0.57460338869454 0.62500000000000 0.04947018247184 164.930 > 137 139 Ho 0.57460338869454 0.12500000000000 0.54947018247184 164.930 > 137 140 Ho 0.57460338869454 0.62500000000000 0.54947018247184 164.930 > 137 141 Ho 0.79220521885304 0.12500000000000 0.18981294893099 164.930 > 141 142 Ho 0.79220521885304 0.62500000000000 0.18981294893099 164.930 > 141 143 Ho 0.79220521885304 0.12500000000000 0.68981294893099 164.930 > 141 144 Ho 0.79220521885304 0.62500000000000 0.68981294893099 164.930 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6660192 0.0000000 0.0000000 0.0000000 4.6235889 0.0000000 0.0000000 0.0000000 4.5592374 -------------------------- Born effective charges -------------------------- 1 O -2.5622563 0.0000000 -0.0597767 0.0000000 -2.0576312 0.0000000 -0.0359084 0.0000000 -2.8628934 2 O -2.5622563 0.0000000 -0.0597767 0.0000000 -2.0576312 0.0000000 -0.0359084 0.0000000 -2.8628934 3 O -2.5622563 0.0000000 0.0597767 0.0000000 -2.0576312 0.0000000 0.0359084 0.0000000 -2.8628934 4 O -2.5622563 0.0000000 0.0597767 0.0000000 -2.0576312 0.0000000 0.0359084 0.0000000 -2.8628934 5 O -2.3775682 0.2777355 -0.1672140 0.2709124 -2.6823475 -0.4610429 -0.1834207 -0.4256418 -2.4643618 6 O -2.3775682 -0.2777355 -0.1672140 -0.2709124 -2.6823475 0.4610429 -0.1834207 0.4256418 -2.4643618 7 O -2.3775682 0.2777355 0.1672140 0.2709124 -2.6823475 0.4610429 0.1834207 0.4256418 -2.4643618 8 O -2.3775682 -0.2777355 0.1672140 -0.2709124 -2.6823475 -0.4610429 0.1834207 -0.4256418 -2.4643618 9 O -2.3775682 0.2777355 -0.1672140 0.2709124 -2.6823475 -0.4610429 -0.1834207 -0.4256418 -2.4643618 10 O -2.3775682 -0.2777355 -0.1672140 -0.2709124 -2.6823475 0.4610429 -0.1834207 0.4256418 -2.4643618 11 O -2.3775682 0.2777355 0.1672140 0.2709124 -2.6823475 0.4610429 0.1834207 0.4256418 -2.4643618 12 O -2.3775682 -0.2777355 0.1672140 -0.2709124 -2.6823475 -0.4610429 0.1834207 -0.4256418 -2.4643618 13 O -2.5864634 0.1202344 -0.1694211 0.1728670 -2.6056848 0.0212837 -0.0777061 -0.0213140 -2.1161876 14 O -2.5864634 -0.1202344 -0.1694211 -0.1728670 -2.6056848 -0.0212837 -0.0777061 0.0213140 -2.1161876 15 O -2.5864634 0.1202344 0.1694211 0.1728670 -2.6056848 -0.0212837 0.0777061 0.0213140 -2.1161876 16 O -2.5864634 -0.1202344 0.1694211 -0.1728670 -2.6056848 0.0212837 0.0777061 -0.0213140 -2.1161876 17 O -2.5864634 -0.1202344 0.1694211 -0.1728670 -2.6056848 0.0212837 0.0777061 -0.0213140 -2.1161876 18 O -2.5864634 0.1202344 0.1694211 0.1728670 -2.6056848 -0.0212837 0.0777061 0.0213140 -2.1161876 19 O -2.5864634 -0.1202344 -0.1694211 -0.1728670 -2.6056848 -0.0212837 -0.0777061 0.0213140 -2.1161876 20 O -2.5864634 0.1202344 -0.1694211 0.1728670 -2.6056848 0.0212837 -0.0777061 -0.0213140 -2.1161876 21 Zn 1.9934183 0.0000000 0.3042950 0.0000000 2.3151076 0.0000000 0.2836379 0.0000000 1.8637914 22 Zn 1.9934183 0.0000000 0.3042950 0.0000000 2.3151076 0.0000000 0.2836379 0.0000000 1.8637914 23 Zn 1.9934183 0.0000000 -0.3042950 0.0000000 2.3151076 0.0000000 -0.2836379 0.0000000 1.8637914 24 Zn 1.9934183 0.0000000 -0.3042950 0.0000000 2.3151076 0.0000000 -0.2836379 0.0000000 1.8637914 25 Ba 2.8718178 0.0000000 0.1333494 0.0000000 2.9095475 0.0000000 0.0852812 0.0000000 2.6056365 26 Ba 2.8718178 0.0000000 -0.1333494 0.0000000 2.9095475 0.0000000 -0.0852812 0.0000000 2.6056365 27 Ba 2.8718178 0.0000000 -0.1333494 0.0000000 2.9095475 0.0000000 -0.0852812 0.0000000 2.6056365 28 Ba 2.8718178 0.0000000 0.1333494 0.0000000 2.9095475 0.0000000 0.0852812 0.0000000 2.6056365 29 Ho 3.9861076 0.0000000 0.0012693 0.0000000 3.6884831 0.0000000 -0.1026717 0.0000000 3.7998795 30 Ho 3.6389758 0.0000000 -0.0814580 0.0000000 3.7205576 0.0000000 -0.1111000 0.0000000 3.7546850 31 Ho 3.6389758 0.0000000 0.0814580 0.0000000 3.7205576 0.0000000 0.1111000 0.0000000 3.7546850 32 Ho 3.6389758 0.0000000 0.0814580 0.0000000 3.7205576 0.0000000 0.1111000 0.0000000 3.7546850 33 Ho 3.9861076 0.0000000 0.0012693 0.0000000 3.6884831 0.0000000 -0.1026717 0.0000000 3.7998795 34 Ho 3.9861076 0.0000000 -0.0012693 0.0000000 3.6884831 0.0000000 0.1026717 0.0000000 3.7998795 35 Ho 3.9861076 0.0000000 -0.0012693 0.0000000 3.6884831 0.0000000 0.1026717 0.0000000 3.7998795 36 Ho 3.6389758 0.0000000 -0.0814580 0.0000000 3.7205576 0.0000000 -0.1111000 0.0000000 3.7546850 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 117, 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: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:48:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:48:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.224504189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.661969640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.001957120000000 Atomic positions (fractional): 1 O 0.60120950654273 0.25000000000000 0.42263694201964 15.999 2 O 0.39879049345727 0.75000000000000 0.57736305798036 15.999 3 O 0.89879049345727 0.75000000000000 0.92263694201964 15.999 4 O 0.10120950654273 0.25000000000000 0.07736305798036 15.999 5 O 0.27549815218015 0.99995772363912 0.86034467992240 15.999 6 O 0.72450184781985 0.49995772363912 0.13965532007760 15.999 7 O 0.22450184781985 0.00004227636088 0.36034467992240 15.999 8 O 0.77549815218015 0.50004227636088 0.63965532007760 15.999 9 O 0.72450184781985 0.00004227636088 0.13965532007760 15.999 10 O 0.27549815218015 0.50004227636088 0.86034467992240 15.999 11 O 0.77549815218015 0.99995772363912 0.63965532007760 15.999 12 O 0.22450184781985 0.49995772363912 0.36034467992240 15.999 13 O 0.06539025691742 0.49876586260582 0.66484935032144 15.999 14 O 0.93460974308258 0.99876586260582 0.33515064967856 15.999 15 O 0.43460974308258 0.50123413739418 0.16484935032144 15.999 16 O 0.56539025691742 0.00123413739418 0.83515064967856 15.999 17 O 0.43460974308258 0.99876586260582 0.16484935032144 15.999 18 O 0.56539025691742 0.49876586260582 0.83515064967856 15.999 19 O 0.06539025691742 0.00123413739418 0.66484935032144 15.999 20 O 0.93460974308258 0.50123413739418 0.33515064967856 15.999 21 Zn 0.15073707418451 0.25000000000000 0.80907406185061 65.380 22 Zn 0.84926292581549 0.75000000000000 0.19092593814939 65.380 23 Zn 0.34926292581549 0.75000000000000 0.30907406185061 65.380 24 Zn 0.65073707418451 0.25000000000000 0.69092593814939 65.380 25 Ba 0.10088697058391 0.75000000000000 0.07748264804814 137.327 26 Ba 0.60088697058391 0.75000000000000 0.42251735195186 137.327 27 Ba 0.39911302941609 0.25000000000000 0.57748264804814 137.327 28 Ba 0.89911302941609 0.25000000000000 0.92251735195186 137.327 29 Ho 0.07460338869454 0.25000000000000 0.40105963505631 164.930 30 Ho 0.20779478114696 0.75000000000000 0.62037410213802 164.930 31 Ho 0.70779478114696 0.75000000000000 0.87962589786198 164.930 32 Ho 0.29220521885304 0.25000000000000 0.12037410213802 164.930 33 Ho 0.92539661130546 0.75000000000000 0.59894036494369 164.930 34 Ho 0.42539661130546 0.75000000000000 0.90105963505631 164.930 35 Ho 0.57460338869454 0.25000000000000 0.09894036494369 164.930 36 Ho 0.79220521885304 0.25000000000000 0.37962589786198 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.224504189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.323939279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.003914240000000 Atomic positions (fractional): 1 O 0.60120950654273 0.12500000000000 0.21131847100982 15.999 > 1 2 O 0.60120950654273 0.62500000000000 0.21131847100982 15.999 > 1 3 O 0.60120950654273 0.12500000000000 0.71131847100982 15.999 > 1 4 O 0.60120950654273 0.62500000000000 0.71131847100982 15.999 > 1 5 O 0.39879049345727 0.37500000000000 0.28868152899018 15.999 > 5 6 O 0.39879049345727 0.87500000000000 0.28868152899018 15.999 > 5 7 O 0.39879049345727 0.37500000000000 0.78868152899018 15.999 > 5 8 O 0.39879049345727 0.87500000000000 0.78868152899018 15.999 > 5 9 O 0.89879049345727 0.37500000000000 0.46131847100982 15.999 > 9 10 O 0.89879049345727 0.87500000000000 0.46131847100982 15.999 > 9 11 O 0.89879049345727 0.37500000000000 0.96131847100982 15.999 > 9 12 O 0.89879049345727 0.87500000000000 0.96131847100982 15.999 > 9 13 O 0.10120950654273 0.12500000000000 0.03868152899018 15.999 > 13 14 O 0.10120950654273 0.62500000000000 0.03868152899018 15.999 > 13 15 O 0.10120950654273 0.12500000000000 0.53868152899018 15.999 > 13 16 O 0.10120950654273 0.62500000000000 0.53868152899018 15.999 > 13 17 O 0.27549815218015 0.49997886181956 0.43017233996120 15.999 > 17 18 O 0.27549815218015 0.99997886181956 0.43017233996120 15.999 > 17 19 O 0.27549815218015 0.49997886181956 0.93017233996120 15.999 > 17 20 O 0.27549815218015 0.99997886181956 0.93017233996120 15.999 > 17 21 O 0.72450184781985 0.24997886181956 0.06982766003880 15.999 > 21 22 O 0.72450184781985 0.74997886181956 0.06982766003880 15.999 > 21 23 O 0.72450184781985 0.24997886181956 0.56982766003880 15.999 > 21 24 O 0.72450184781985 0.74997886181956 0.56982766003880 15.999 > 21 25 O 0.22450184781985 0.00002113818044 0.18017233996120 15.999 > 25 26 O 0.22450184781985 0.50002113818044 0.18017233996120 15.999 > 25 27 O 0.22450184781985 0.00002113818044 0.68017233996120 15.999 > 25 28 O 0.22450184781985 0.50002113818044 0.68017233996120 15.999 > 25 29 O 0.77549815218015 0.25002113818044 0.31982766003880 15.999 > 29 30 O 0.77549815218015 0.75002113818044 0.31982766003880 15.999 > 29 31 O 0.77549815218015 0.25002113818044 0.81982766003880 15.999 > 29 32 O 0.77549815218015 0.75002113818044 0.81982766003880 15.999 > 29 33 O 0.72450184781985 0.00002113818044 0.06982766003880 15.999 > 33 34 O 0.72450184781985 0.50002113818044 0.06982766003880 15.999 > 33 35 O 0.72450184781985 0.00002113818044 0.56982766003880 15.999 > 33 36 O 0.72450184781985 0.50002113818044 0.56982766003880 15.999 > 33 37 O 0.27549815218015 0.25002113818044 0.43017233996120 15.999 > 37 38 O 0.27549815218015 0.75002113818044 0.43017233996120 15.999 > 37 39 O 0.27549815218015 0.25002113818044 0.93017233996120 15.999 > 37 40 O 0.27549815218015 0.75002113818044 0.93017233996120 15.999 > 37 41 O 0.77549815218015 0.49997886181956 0.31982766003880 15.999 > 41 42 O 0.77549815218015 0.99997886181956 0.31982766003880 15.999 > 41 43 O 0.77549815218015 0.49997886181956 0.81982766003880 15.999 > 41 44 O 0.77549815218015 0.99997886181956 0.81982766003880 15.999 > 41 45 O 0.22450184781985 0.24997886181956 0.18017233996120 15.999 > 45 46 O 0.22450184781985 0.74997886181956 0.18017233996120 15.999 > 45 47 O 0.22450184781985 0.24997886181956 0.68017233996120 15.999 > 45 48 O 0.22450184781985 0.74997886181956 0.68017233996120 15.999 > 45 49 O 0.06539025691742 0.24938293130291 0.33242467516072 15.999 > 49 50 O 0.06539025691742 0.74938293130291 0.33242467516072 15.999 > 49 51 O 0.06539025691742 0.24938293130291 0.83242467516072 15.999 > 49 52 O 0.06539025691742 0.74938293130291 0.83242467516072 15.999 > 49 53 O 0.93460974308258 0.49938293130291 0.16757532483928 15.999 > 53 54 O 0.93460974308258 0.99938293130291 0.16757532483928 15.999 > 53 55 O 0.93460974308258 0.49938293130291 0.66757532483928 15.999 > 53 56 O 0.93460974308258 0.99938293130291 0.66757532483928 15.999 > 53 57 O 0.43460974308258 0.25061706869709 0.08242467516072 15.999 > 57 58 O 0.43460974308258 0.75061706869709 0.08242467516072 15.999 > 57 59 O 0.43460974308258 0.25061706869709 0.58242467516072 15.999 > 57 60 O 0.43460974308258 0.75061706869709 0.58242467516072 15.999 > 57 61 O 0.56539025691742 0.00061706869709 0.41757532483928 15.999 > 61 62 O 0.56539025691742 0.50061706869709 0.41757532483928 15.999 > 61 63 O 0.56539025691742 0.00061706869709 0.91757532483928 15.999 > 61 64 O 0.56539025691742 0.50061706869709 0.91757532483928 15.999 > 61 65 O 0.43460974308258 0.49938293130291 0.08242467516072 15.999 > 65 66 O 0.43460974308258 0.99938293130291 0.08242467516072 15.999 > 65 67 O 0.43460974308258 0.49938293130291 0.58242467516072 15.999 > 65 68 O 0.43460974308258 0.99938293130291 0.58242467516072 15.999 > 65 69 O 0.56539025691742 0.24938293130291 0.41757532483928 15.999 > 69 70 O 0.56539025691742 0.74938293130291 0.41757532483928 15.999 > 69 71 O 0.56539025691742 0.24938293130291 0.91757532483928 15.999 > 69 72 O 0.56539025691742 0.74938293130291 0.91757532483928 15.999 > 69 73 O 0.06539025691742 0.00061706869709 0.33242467516072 15.999 > 73 74 O 0.06539025691742 0.50061706869709 0.33242467516072 15.999 > 73 75 O 0.06539025691742 0.00061706869709 0.83242467516072 15.999 > 73 76 O 0.06539025691742 0.50061706869709 0.83242467516072 15.999 > 73 77 O 0.93460974308258 0.25061706869709 0.16757532483928 15.999 > 77 78 O 0.93460974308258 0.75061706869709 0.16757532483928 15.999 > 77 79 O 0.93460974308258 0.25061706869709 0.66757532483928 15.999 > 77 80 O 0.93460974308258 0.75061706869709 0.66757532483928 15.999 > 77 81 Zn 0.15073707418451 0.12500000000000 0.40453703092530 65.380 > 81 82 Zn 0.15073707418451 0.62500000000000 0.40453703092530 65.380 > 81 83 Zn 0.15073707418451 0.12500000000000 0.90453703092530 65.380 > 81 84 Zn 0.15073707418451 0.62500000000000 0.90453703092530 65.380 > 81 85 Zn 0.84926292581549 0.37500000000000 0.09546296907470 65.380 > 85 86 Zn 0.84926292581549 0.87500000000000 0.09546296907470 65.380 > 85 87 Zn 0.84926292581549 0.37500000000000 0.59546296907470 65.380 > 85 88 Zn 0.84926292581549 0.87500000000000 0.59546296907470 65.380 > 85 89 Zn 0.34926292581549 0.37500000000000 0.15453703092530 65.380 > 89 90 Zn 0.34926292581549 0.87500000000000 0.15453703092530 65.380 > 89 91 Zn 0.34926292581549 0.37500000000000 0.65453703092530 65.380 > 89 92 Zn 0.34926292581549 0.87500000000000 0.65453703092530 65.380 > 89 93 Zn 0.65073707418451 0.12500000000000 0.34546296907470 65.380 > 93 94 Zn 0.65073707418451 0.62500000000000 0.34546296907470 65.380 > 93 95 Zn 0.65073707418451 0.12500000000000 0.84546296907470 65.380 > 93 96 Zn 0.65073707418451 0.62500000000000 0.84546296907470 65.380 > 93 97 Ba 0.10088697058391 0.37500000000000 0.03874132402407 137.327 > 97 98 Ba 0.10088697058391 0.87500000000000 0.03874132402407 137.327 > 97 99 Ba 0.10088697058391 0.37500000000000 0.53874132402407 137.327 > 97 100 Ba 0.10088697058391 0.87500000000000 0.53874132402407 137.327 > 97 101 Ba 0.60088697058391 0.37500000000000 0.21125867597593 137.327 > 101 102 Ba 0.60088697058391 0.87500000000000 0.21125867597593 137.327 > 101 103 Ba 0.60088697058391 0.37500000000000 0.71125867597593 137.327 > 101 104 Ba 0.60088697058391 0.87500000000000 0.71125867597593 137.327 > 101 105 Ba 0.39911302941609 0.12500000000000 0.28874132402407 137.327 > 105 106 Ba 0.39911302941609 0.62500000000000 0.28874132402407 137.327 > 105 107 Ba 0.39911302941609 0.12500000000000 0.78874132402407 137.327 > 105 108 Ba 0.39911302941609 0.62500000000000 0.78874132402407 137.327 > 105 109 Ba 0.89911302941609 0.12500000000000 0.46125867597593 137.327 > 109 110 Ba 0.89911302941609 0.62500000000000 0.46125867597593 137.327 > 109 111 Ba 0.89911302941609 0.12500000000000 0.96125867597593 137.327 > 109 112 Ba 0.89911302941609 0.62500000000000 0.96125867597593 137.327 > 109 113 Ho 0.07460338869454 0.12500000000000 0.20052981752816 164.930 > 113 114 Ho 0.07460338869454 0.62500000000000 0.20052981752816 164.930 > 113 115 Ho 0.07460338869454 0.12500000000000 0.70052981752816 164.930 > 113 116 Ho 0.07460338869454 0.62500000000000 0.70052981752816 164.930 > 113 117 Ho 0.20779478114696 0.37500000000000 0.31018705106901 164.930 > 117 118 Ho 0.20779478114696 0.87500000000000 0.31018705106901 164.930 > 117 119 Ho 0.20779478114696 0.37500000000000 0.81018705106901 164.930 > 117 120 Ho 0.20779478114696 0.87500000000000 0.81018705106901 164.930 > 117 121 Ho 0.70779478114696 0.37500000000000 0.43981294893099 164.930 > 121 122 Ho 0.70779478114696 0.87500000000000 0.43981294893099 164.930 > 121 123 Ho 0.70779478114696 0.37500000000000 0.93981294893099 164.930 > 121 124 Ho 0.70779478114696 0.87500000000000 0.93981294893099 164.930 > 121 125 Ho 0.29220521885304 0.12500000000000 0.06018705106901 164.930 > 125 126 Ho 0.29220521885304 0.62500000000000 0.06018705106901 164.930 > 125 127 Ho 0.29220521885304 0.12500000000000 0.56018705106901 164.930 > 125 128 Ho 0.29220521885304 0.62500000000000 0.56018705106901 164.930 > 125 129 Ho 0.92539661130546 0.37500000000000 0.29947018247184 164.930 > 129 130 Ho 0.92539661130546 0.87500000000000 0.29947018247184 164.930 > 129 131 Ho 0.92539661130546 0.37500000000000 0.79947018247184 164.930 > 129 132 Ho 0.92539661130546 0.87500000000000 0.79947018247184 164.930 > 129 133 Ho 0.42539661130546 0.37500000000000 0.45052981752816 164.930 > 133 134 Ho 0.42539661130546 0.87500000000000 0.45052981752816 164.930 > 133 135 Ho 0.42539661130546 0.37500000000000 0.95052981752816 164.930 > 133 136 Ho 0.42539661130546 0.87500000000000 0.95052981752816 164.930 > 133 137 Ho 0.57460338869454 0.12500000000000 0.04947018247184 164.930 > 137 138 Ho 0.57460338869454 0.62500000000000 0.04947018247184 164.930 > 137 139 Ho 0.57460338869454 0.12500000000000 0.54947018247184 164.930 > 137 140 Ho 0.57460338869454 0.62500000000000 0.54947018247184 164.930 > 137 141 Ho 0.79220521885304 0.12500000000000 0.18981294893099 164.930 > 141 142 Ho 0.79220521885304 0.62500000000000 0.18981294893099 164.930 > 141 143 Ho 0.79220521885304 0.12500000000000 0.68981294893099 164.930 > 141 144 Ho 0.79220521885304 0.62500000000000 0.68981294893099 164.930 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6660192 0.0000000 0.0000000 0.0000000 4.6235889 0.0000000 0.0000000 0.0000000 4.5592374 -------------------------- Born effective charges -------------------------- 1 O -2.5622563 0.0000000 -0.0597767 0.0000000 -2.0576312 0.0000000 -0.0359084 0.0000000 -2.8628934 2 O -2.5622563 0.0000000 -0.0597767 0.0000000 -2.0576312 0.0000000 -0.0359084 0.0000000 -2.8628934 3 O -2.5622563 0.0000000 0.0597767 0.0000000 -2.0576312 0.0000000 0.0359084 0.0000000 -2.8628934 4 O -2.5622563 0.0000000 0.0597767 0.0000000 -2.0576312 0.0000000 0.0359084 0.0000000 -2.8628934 5 O -2.3775682 0.2777355 -0.1672140 0.2709124 -2.6823475 -0.4610429 -0.1834207 -0.4256418 -2.4643618 6 O -2.3775682 -0.2777355 -0.1672140 -0.2709124 -2.6823475 0.4610429 -0.1834207 0.4256418 -2.4643618 7 O -2.3775682 0.2777355 0.1672140 0.2709124 -2.6823475 0.4610429 0.1834207 0.4256418 -2.4643618 8 O -2.3775682 -0.2777355 0.1672140 -0.2709124 -2.6823475 -0.4610429 0.1834207 -0.4256418 -2.4643618 9 O -2.3775682 0.2777355 -0.1672140 0.2709124 -2.6823475 -0.4610429 -0.1834207 -0.4256418 -2.4643618 10 O -2.3775682 -0.2777355 -0.1672140 -0.2709124 -2.6823475 0.4610429 -0.1834207 0.4256418 -2.4643618 11 O -2.3775682 0.2777355 0.1672140 0.2709124 -2.6823475 0.4610429 0.1834207 0.4256418 -2.4643618 12 O -2.3775682 -0.2777355 0.1672140 -0.2709124 -2.6823475 -0.4610429 0.1834207 -0.4256418 -2.4643618 13 O -2.5864634 0.1202344 -0.1694211 0.1728670 -2.6056848 0.0212837 -0.0777061 -0.0213140 -2.1161876 14 O -2.5864634 -0.1202344 -0.1694211 -0.1728670 -2.6056848 -0.0212837 -0.0777061 0.0213140 -2.1161876 15 O -2.5864634 0.1202344 0.1694211 0.1728670 -2.6056848 -0.0212837 0.0777061 0.0213140 -2.1161876 16 O -2.5864634 -0.1202344 0.1694211 -0.1728670 -2.6056848 0.0212837 0.0777061 -0.0213140 -2.1161876 17 O -2.5864634 -0.1202344 0.1694211 -0.1728670 -2.6056848 0.0212837 0.0777061 -0.0213140 -2.1161876 18 O -2.5864634 0.1202344 0.1694211 0.1728670 -2.6056848 -0.0212837 0.0777061 0.0213140 -2.1161876 19 O -2.5864634 -0.1202344 -0.1694211 -0.1728670 -2.6056848 -0.0212837 -0.0777061 0.0213140 -2.1161876 20 O -2.5864634 0.1202344 -0.1694211 0.1728670 -2.6056848 0.0212837 -0.0777061 -0.0213140 -2.1161876 21 Zn 1.9934183 0.0000000 0.3042950 0.0000000 2.3151076 0.0000000 0.2836379 0.0000000 1.8637914 22 Zn 1.9934183 0.0000000 0.3042950 0.0000000 2.3151076 0.0000000 0.2836379 0.0000000 1.8637914 23 Zn 1.9934183 0.0000000 -0.3042950 0.0000000 2.3151076 0.0000000 -0.2836379 0.0000000 1.8637914 24 Zn 1.9934183 0.0000000 -0.3042950 0.0000000 2.3151076 0.0000000 -0.2836379 0.0000000 1.8637914 25 Ba 2.8718178 0.0000000 0.1333494 0.0000000 2.9095475 0.0000000 0.0852812 0.0000000 2.6056365 26 Ba 2.8718178 0.0000000 -0.1333494 0.0000000 2.9095475 0.0000000 -0.0852812 0.0000000 2.6056365 27 Ba 2.8718178 0.0000000 -0.1333494 0.0000000 2.9095475 0.0000000 -0.0852812 0.0000000 2.6056365 28 Ba 2.8718178 0.0000000 0.1333494 0.0000000 2.9095475 0.0000000 0.0852812 0.0000000 2.6056365 29 Ho 3.9861076 0.0000000 0.0012693 0.0000000 3.6884831 0.0000000 -0.1026717 0.0000000 3.7998795 30 Ho 3.6389758 0.0000000 -0.0814580 0.0000000 3.7205576 0.0000000 -0.1111000 0.0000000 3.7546850 31 Ho 3.6389758 0.0000000 0.0814580 0.0000000 3.7205576 0.0000000 0.1111000 0.0000000 3.7546850 32 Ho 3.6389758 0.0000000 0.0814580 0.0000000 3.7205576 0.0000000 0.1111000 0.0000000 3.7546850 33 Ho 3.9861076 0.0000000 0.0012693 0.0000000 3.6884831 0.0000000 -0.1026717 0.0000000 3.7998795 34 Ho 3.9861076 0.0000000 -0.0012693 0.0000000 3.6884831 0.0000000 0.1026717 0.0000000 3.7998795 35 Ho 3.9861076 0.0000000 -0.0012693 0.0000000 3.6884831 0.0000000 0.1026717 0.0000000 3.7998795 36 Ho 3.6389758 0.0000000 -0.0814580 0.0000000 3.7205576 0.0000000 -0.1111000 0.0000000 3.7546850 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 7 ] 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: 0.53, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.193 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.316 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.539 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 10.600 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.557 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 11.741 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.483 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 13.010 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.619 ( 0.000 0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 14.351 ( 0.000 0.000 0.000) 0.000 14.438 ( 0.000 0.000 0.000) 0.000 14.793 ( 0.000 0.000 0.000) 0.000 15.146 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 0.000 0.000) 0.000 15.800 ( 0.000 0.000 0.000) 0.000 16.310 ( 0.000 0.000 0.000) 0.000 16.557 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.322 ( 0.000 0.000 0.000) 0.000 17.528 ( 0.000 0.000 0.000) 0.000 17.544 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 17.999 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 22.115 0.000 0.000) 22.115 0.658 ( 30.919 0.000 0.000) 30.919 1.093 ( 51.146 0.000 0.000) 51.146 1.315 ( -19.643 0.000 0.000) 19.643 1.679 ( -12.478 0.000 0.000) 12.478 2.154 ( 18.614 0.000 0.000) 18.614 2.231 ( 1.575 0.000 0.000) 1.575 2.285 ( -1.567 0.000 0.000) 1.567 2.614 ( 2.482 0.000 0.000) 2.482 2.720 ( -0.292 0.000 0.000) 0.292 2.804 ( -9.666 0.000 0.000) 9.666 2.819 ( -6.348 0.000 0.000) 6.348 2.850 ( -9.687 0.000 0.000) 9.687 2.929 ( 6.832 0.000 0.000) 6.832 2.946 ( 0.746 0.000 0.000) 0.746 3.084 ( -3.253 0.000 0.000) 3.253 3.123 ( -22.576 0.000 0.000) 22.576 3.234 ( 9.067 0.000 0.000) 9.067 3.317 ( -22.708 0.000 0.000) 22.708 3.424 ( 5.536 0.000 0.000) 5.536 3.460 ( -1.863 0.000 0.000) 1.863 3.497 ( -3.031 0.000 0.000) 3.031 3.533 ( 9.009 0.000 0.000) 9.009 3.586 ( -5.315 0.000 0.000) 5.315 3.647 ( -2.752 0.000 0.000) 2.752 3.860 ( 11.405 0.000 0.000) 11.405 3.915 ( -7.091 0.000 0.000) 7.091 4.104 ( -0.189 0.000 0.000) 0.189 4.106 ( -1.194 0.000 0.000) 1.194 4.182 ( -3.116 0.000 0.000) 3.116 4.248 ( 2.916 0.000 0.000) 2.916 4.424 ( 0.467 0.000 0.000) 0.467 4.434 ( -3.750 0.000 0.000) 3.750 4.665 ( -7.085 0.000 0.000) 7.085 4.692 ( 17.441 0.000 0.000) 17.441 4.707 ( 3.011 0.000 0.000) 3.011 4.821 ( -1.767 0.000 0.000) 1.767 4.929 ( 14.523 0.000 0.000) 14.523 5.062 ( -4.704 0.000 0.000) 4.704 5.229 ( 1.872 0.000 0.000) 1.872 5.251 ( 7.934 0.000 0.000) 7.934 5.431 ( -1.875 0.000 0.000) 1.875 5.431 ( -0.680 0.000 0.000) 0.680 5.634 ( -5.665 0.000 0.000) 5.665 5.653 ( 1.082 0.000 0.000) 1.082 5.784 ( -4.174 0.000 0.000) 4.174 5.965 ( 4.468 0.000 0.000) 4.468 6.137 ( -1.644 0.000 0.000) 1.644 6.319 ( 11.518 0.000 0.000) 11.518 6.659 ( -0.001 0.000 0.000) 0.001 6.971 ( 15.940 0.000 0.000) 15.940 7.078 ( -0.206 0.000 0.000) 0.206 7.143 ( -3.348 0.000 0.000) 3.348 7.411 ( 3.139 0.000 0.000) 3.139 7.494 ( -12.772 0.000 0.000) 12.772 7.509 ( -1.215 0.000 0.000) 1.215 7.735 ( -11.516 0.000 0.000) 11.516 8.005 ( -15.192 0.000 0.000) 15.192 8.067 ( 0.129 0.000 0.000) 0.129 8.073 ( -0.090 0.000 0.000) 0.090 8.109 ( 5.260 0.000 0.000) 5.260 8.464 ( -10.325 0.000 0.000) 10.325 8.551 ( 7.679 0.000 0.000) 7.679 8.653 ( 8.795 0.000 0.000) 8.795 8.891 ( 6.574 0.000 0.000) 6.574 8.937 ( 6.263 0.000 0.000) 6.263 9.067 ( -0.585 0.000 0.000) 0.585 9.114 ( 3.760 0.000 0.000) 3.760 9.161 ( -1.437 0.000 0.000) 1.437 9.305 ( -4.655 0.000 0.000) 4.655 9.978 ( -5.105 0.000 0.000) 5.105 10.131 ( -7.822 0.000 0.000) 7.822 10.257 ( -12.646 0.000 0.000) 12.646 10.329 ( -12.831 0.000 0.000) 12.831 10.690 ( 13.452 0.000 0.000) 13.452 10.795 ( 11.721 0.000 0.000) 11.721 10.843 ( 7.390 0.000 0.000) 7.390 10.871 ( 21.028 0.000 0.000) 21.028 11.283 ( 2.076 0.000 0.000) 2.076 11.369 ( -11.013 0.000 0.000) 11.013 11.381 ( -2.938 0.000 0.000) 2.938 11.598 ( 1.573 0.000 0.000) 1.573 11.706 ( -3.140 0.000 0.000) 3.140 11.733 ( -14.723 0.000 0.000) 14.723 12.329 ( 5.690 0.000 0.000) 5.690 12.490 ( -0.379 0.000 0.000) 0.379 12.928 ( -1.217 0.000 0.000) 1.217 12.983 ( -2.331 0.000 0.000) 2.331 13.485 ( 2.580 0.000 0.000) 2.580 13.530 ( 1.189 0.000 0.000) 1.189 13.609 ( -0.926 0.000 0.000) 0.926 13.709 ( -6.250 0.000 0.000) 6.250 13.993 ( 7.780 0.000 0.000) 7.780 14.302 ( -4.696 0.000 0.000) 4.696 14.309 ( 10.267 0.000 0.000) 10.267 14.717 ( -6.922 0.000 0.000) 6.922 15.204 ( 5.240 0.000 0.000) 5.240 15.518 ( -8.107 0.000 0.000) 8.107 15.809 ( 0.825 0.000 0.000) 0.825 15.855 ( -0.862 0.000 0.000) 0.862 16.477 ( 11.386 0.000 0.000) 11.386 16.875 ( 1.739 0.000 0.000) 1.739 16.934 ( -6.275 0.000 0.000) 6.275 17.137 ( -12.331 0.000 0.000) 12.331 17.597 ( 7.217 0.000 0.000) 7.217 17.713 ( 9.462 0.000 0.000) 9.462 17.882 ( -4.509 0.000 0.000) 4.509 17.972 ( -2.825 0.000 0.000) 2.825 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -20.918 0.000 0.000) 20.918 0.900 ( 20.918 0.000 0.000) 20.918 1.235 ( -24.399 0.000 0.000) 24.399 1.235 ( 24.399 0.000 0.000) 24.399 2.130 ( -34.479 0.000 0.000) 34.479 2.130 ( 34.479 0.000 0.000) 34.479 2.315 ( -15.495 0.000 0.000) 15.495 2.315 ( 15.495 0.000 0.000) 15.495 2.521 ( -16.765 0.000 0.000) 16.765 2.521 ( 16.765 0.000 0.000) 16.765 2.695 ( -5.579 0.000 0.000) 5.579 2.695 ( 5.579 0.000 0.000) 5.579 2.771 ( -5.058 0.000 0.000) 5.058 2.771 ( 5.058 0.000 0.000) 5.058 2.981 ( -1.688 0.000 0.000) 1.688 2.981 ( 1.688 0.000 0.000) 1.688 3.119 ( -6.573 0.000 0.000) 6.573 3.119 ( 6.573 0.000 0.000) 6.573 3.400 ( -6.748 0.000 0.000) 6.748 3.400 ( 6.748 0.000 0.000) 6.748 3.482 ( -3.641 0.000 0.000) 3.641 3.482 ( 3.641 0.000 0.000) 3.641 3.550 ( -6.303 0.000 0.000) 6.303 3.550 ( 6.303 0.000 0.000) 6.303 3.740 ( -10.009 0.000 0.000) 10.009 3.740 ( 10.009 0.000 0.000) 10.009 4.068 ( -8.104 0.000 0.000) 8.104 4.068 ( 8.104 0.000 0.000) 8.104 4.087 ( -0.037 0.000 0.000) 0.037 4.087 ( 0.037 0.000 0.000) 0.037 4.335 ( -5.215 0.000 0.000) 5.215 4.335 ( 5.215 0.000 0.000) 5.215 4.510 ( -7.029 0.000 0.000) 7.029 4.510 ( 7.029 0.000 0.000) 7.029 4.771 ( -2.967 0.000 0.000) 2.967 4.771 ( 2.967 0.000 0.000) 2.967 4.934 ( -8.129 0.000 0.000) 8.129 4.934 ( 8.129 0.000 0.000) 8.129 5.185 ( -7.460 0.000 0.000) 7.460 5.185 ( 7.460 0.000 0.000) 7.460 5.417 ( -0.381 0.000 0.000) 0.381 5.417 ( 0.381 0.000 0.000) 0.381 5.460 ( -10.930 0.000 0.000) 10.930 5.460 ( 10.930 0.000 0.000) 10.930 5.695 ( -3.426 0.000 0.000) 3.426 5.695 ( 3.426 0.000 0.000) 3.426 6.072 ( -4.756 0.000 0.000) 4.756 6.072 ( 4.756 0.000 0.000) 4.756 6.563 ( -10.218 0.000 0.000) 10.218 6.563 ( 10.218 0.000 0.000) 10.218 7.089 ( -1.559 0.000 0.000) 1.559 7.089 ( 1.559 0.000 0.000) 1.559 7.280 ( -9.664 0.000 0.000) 9.664 7.280 ( 9.664 0.000 0.000) 9.664 7.471 ( -2.460 0.000 0.000) 2.460 7.471 ( 2.460 0.000 0.000) 2.460 7.676 ( -10.781 0.000 0.000) 10.781 7.676 ( 10.781 0.000 0.000) 10.781 8.070 ( -0.150 0.000 0.000) 0.150 8.070 ( 0.150 0.000 0.000) 0.150 8.259 ( -9.084 0.000 0.000) 9.084 8.259 ( 9.084 0.000 0.000) 9.084 8.700 ( -4.731 0.000 0.000) 4.731 8.700 ( 4.731 0.000 0.000) 4.731 9.033 ( -2.557 0.000 0.000) 2.557 9.033 ( 2.557 0.000 0.000) 2.557 9.055 ( -7.920 0.000 0.000) 7.920 9.055 ( 7.920 0.000 0.000) 7.920 9.199 ( -4.635 0.000 0.000) 4.635 9.199 ( 4.635 0.000 0.000) 4.635 10.063 ( -11.462 0.000 0.000) 11.462 10.063 ( 11.462 0.000 0.000) 11.462 10.080 ( -3.390 0.000 0.000) 3.390 10.080 ( 3.390 0.000 0.000) 3.390 10.886 ( -4.131 0.000 0.000) 4.131 10.886 ( 4.131 0.000 0.000) 4.131 11.051 ( -11.714 0.000 0.000) 11.714 11.051 ( 11.714 0.000 0.000) 11.714 11.324 ( -2.228 0.000 0.000) 2.228 11.324 ( 2.228 0.000 0.000) 2.228 11.365 ( -18.937 0.000 0.000) 18.937 11.365 ( 18.937 0.000 0.000) 18.937 11.640 ( -2.689 0.000 0.000) 2.689 11.640 ( 2.689 0.000 0.000) 2.689 12.441 ( -4.393 0.000 0.000) 4.393 12.441 ( 4.393 0.000 0.000) 4.393 12.934 ( -1.828 0.000 0.000) 1.828 12.934 ( 1.828 0.000 0.000) 1.828 13.545 ( -1.308 0.000 0.000) 1.308 13.545 ( 1.308 0.000 0.000) 1.308 13.603 ( -2.274 0.000 0.000) 2.274 13.603 ( 2.274 0.000 0.000) 2.274 14.166 ( -8.200 0.000 0.000) 8.200 14.166 ( 8.200 0.000 0.000) 8.200 14.532 ( -10.635 0.000 0.000) 10.635 14.532 ( 10.635 0.000 0.000) 10.635 15.344 ( -8.114 0.000 0.000) 8.114 15.344 ( 8.114 0.000 0.000) 8.114 15.831 ( -1.276 0.000 0.000) 1.276 15.831 ( 1.276 0.000 0.000) 1.276 16.740 ( -12.713 0.000 0.000) 12.713 16.740 ( 12.713 0.000 0.000) 12.713 16.942 ( -5.613 0.000 0.000) 5.613 16.942 ( 5.613 0.000 0.000) 5.613 17.756 ( -7.486 0.000 0.000) 7.486 17.756 ( 7.486 0.000 0.000) 7.486 17.878 ( -6.381 0.000 0.000) 6.381 17.878 ( 6.381 0.000 0.000) 6.381 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 22.569 0.000) 22.569 0.510 ( 0.000 26.018 0.000) 26.018 1.188 ( 0.000 58.844 0.000) 58.844 1.838 ( 0.000 2.120 0.000) 2.120 1.888 ( 0.000 19.981 0.000) 19.981 2.016 ( 0.000 13.687 0.000) 13.687 2.190 ( 0.000 -0.252 0.000) 0.252 2.314 ( 0.000 2.329 0.000) 2.329 2.619 ( 0.000 3.469 0.000) 3.469 2.653 ( 0.000 -4.539 0.000) 4.539 2.759 ( 0.000 -3.484 0.000) 3.484 2.847 ( 0.000 -2.793 0.000) 2.793 2.923 ( 0.000 -5.515 0.000) 5.515 2.932 ( 0.000 1.323 0.000) 1.323 3.038 ( 0.000 8.861 0.000) 8.861 3.112 ( 0.000 -2.685 0.000) 2.685 3.188 ( 0.000 -4.896 0.000) 4.896 3.266 ( 0.000 -6.188 0.000) 6.188 3.392 ( 0.000 4.428 0.000) 4.428 3.402 ( 0.000 0.643 0.000) 0.643 3.550 ( 0.000 -0.186 0.000) 0.186 3.650 ( 0.000 -1.099 0.000) 1.099 3.712 ( 0.000 -6.755 0.000) 6.755 3.745 ( 0.000 16.224 0.000) 16.224 3.760 ( 0.000 3.503 0.000) 3.503 3.898 ( 0.000 3.714 0.000) 3.714 3.983 ( 0.000 -3.228 0.000) 3.228 4.033 ( 0.000 7.685 0.000) 7.685 4.088 ( 0.000 -2.434 0.000) 2.434 4.114 ( 0.000 -1.144 0.000) 1.144 4.410 ( 0.000 18.304 0.000) 18.304 4.418 ( 0.000 -5.928 0.000) 5.928 4.494 ( 0.000 -5.515 0.000) 5.515 4.627 ( 0.000 18.100 0.000) 18.100 4.701 ( 0.000 0.042 0.000) 0.042 4.706 ( 0.000 7.465 0.000) 7.465 4.713 ( 0.000 14.786 0.000) 14.786 4.992 ( 0.000 9.013 0.000) 9.013 5.145 ( 0.000 2.510 0.000) 2.510 5.200 ( 0.000 2.305 0.000) 2.305 5.249 ( 0.000 10.281 0.000) 10.281 5.455 ( 0.000 -0.868 0.000) 0.868 5.473 ( 0.000 -0.070 0.000) 0.070 5.595 ( 0.000 -4.133 0.000) 4.133 5.735 ( 0.000 10.100 0.000) 10.100 5.736 ( 0.000 4.548 0.000) 4.548 6.158 ( 0.000 -0.248 0.000) 0.248 6.255 ( 0.000 6.914 0.000) 6.914 6.312 ( 0.000 37.359 0.000) 37.359 6.839 ( 0.000 5.694 0.000) 5.694 7.140 ( 0.000 5.629 0.000) 5.629 7.172 ( 0.000 -1.147 0.000) 1.147 7.311 ( 0.000 -2.058 0.000) 2.058 7.500 ( 0.000 -2.133 0.000) 2.133 7.564 ( 0.000 17.598 0.000) 17.598 7.634 ( 0.000 -2.753 0.000) 2.753 7.777 ( 0.000 -7.521 0.000) 7.521 8.033 ( 0.000 -3.102 0.000) 3.102 8.043 ( 0.000 -2.248 0.000) 2.248 8.243 ( 0.000 12.777 0.000) 12.777 8.323 ( 0.000 4.788 0.000) 4.788 8.373 ( 0.000 4.726 0.000) 4.726 8.577 ( 0.000 6.250 0.000) 6.250 8.611 ( 0.000 0.518 0.000) 0.518 8.787 ( 0.000 -2.295 0.000) 2.295 9.003 ( 0.000 13.096 0.000) 13.096 9.265 ( 0.000 18.963 0.000) 18.963 9.337 ( 0.000 -2.608 0.000) 2.608 9.370 ( 0.000 15.760 0.000) 15.760 9.570 ( 0.000 1.496 0.000) 1.496 9.650 ( 0.000 6.971 0.000) 6.971 10.180 ( 0.000 -6.262 0.000) 6.262 10.392 ( 0.000 7.533 0.000) 7.533 10.439 ( 0.000 4.602 0.000) 4.602 10.522 ( 0.000 -1.216 0.000) 1.216 10.540 ( 0.000 -2.891 0.000) 2.891 10.763 ( 0.000 7.004 0.000) 7.004 10.798 ( 0.000 15.691 0.000) 15.691 11.248 ( 0.000 3.483 0.000) 3.483 11.564 ( 0.000 13.974 0.000) 13.974 11.578 ( 0.000 2.529 0.000) 2.529 11.609 ( 0.000 3.043 0.000) 3.043 11.787 ( 0.000 4.459 0.000) 4.459 11.912 ( 0.000 1.239 0.000) 1.239 12.350 ( 0.000 8.660 0.000) 8.660 12.467 ( 0.000 -1.315 0.000) 1.315 12.600 ( 0.000 6.902 0.000) 6.902 12.980 ( 0.000 -3.350 0.000) 3.350 13.427 ( 0.000 -2.926 0.000) 2.926 13.488 ( 0.000 -3.067 0.000) 3.067 13.569 ( 0.000 -5.126 0.000) 5.126 13.794 ( 0.000 0.540 0.000) 0.540 13.878 ( 0.000 -2.683 0.000) 2.683 14.356 ( 0.000 0.684 0.000) 0.684 14.459 ( 0.000 2.224 0.000) 2.224 14.772 ( 0.000 -1.624 0.000) 1.624 15.137 ( 0.000 -1.161 0.000) 1.161 15.569 ( 0.000 -4.951 0.000) 4.951 15.758 ( 0.000 -4.081 0.000) 4.081 16.341 ( 0.000 3.272 0.000) 3.272 16.477 ( 0.000 -8.166 0.000) 8.166 16.597 ( 0.000 4.007 0.000) 4.007 16.967 ( 0.000 -4.015 0.000) 4.015 17.293 ( 0.000 -3.435 0.000) 3.435 17.464 ( 0.000 -6.195 0.000) 6.195 17.465 ( 0.000 -7.250 0.000) 7.250 17.857 ( 0.000 -3.333 0.000) 3.333 17.954 ( 0.000 -4.541 0.000) 4.541 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 23.700 15.045 0.000) 28.072 0.957 ( 26.033 19.070 0.000) 32.270 1.413 ( 24.273 38.916 0.000) 45.866 1.634 ( -14.875 25.360 0.000) 29.401 1.723 ( -9.019 5.424 0.000) 10.524 2.207 ( 5.399 1.560 0.000) 5.620 2.213 ( 1.714 -1.196 0.000) 2.090 2.370 ( 8.575 9.344 0.000) 12.682 2.641 ( 2.152 3.223 0.000) 3.875 2.670 ( 0.974 -4.326 0.000) 4.434 2.801 ( -6.030 -0.978 0.000) 6.109 2.837 ( 6.370 -5.837 0.000) 8.640 2.844 ( -7.093 -1.955 0.000) 7.357 2.920 ( -8.180 7.372 0.000) 11.012 2.927 ( 0.473 -0.335 0.000) 0.580 3.053 ( -4.634 -0.226 0.000) 4.639 3.095 ( -12.874 -2.294 0.000) 13.076 3.283 ( -29.703 -1.720 0.000) 29.753 3.327 ( 5.758 -1.469 0.000) 5.943 3.403 ( 5.093 1.500 0.000) 5.310 3.517 ( -2.868 -0.755 0.000) 2.966 3.531 ( 8.353 1.879 0.000) 8.562 3.639 ( -2.152 11.594 0.000) 11.792 3.658 ( -2.459 0.977 0.000) 2.646 3.695 ( -2.597 -0.668 0.000) 2.681 3.874 ( -5.914 5.223 0.000) 7.890 3.971 ( 11.805 7.001 0.000) 13.725 4.071 ( -0.609 -1.881 0.000) 1.977 4.072 ( -1.333 -2.298 0.000) 2.657 4.319 ( -5.473 0.114 0.000) 5.474 4.401 ( -0.216 10.447 0.000) 10.449 4.428 ( 8.656 12.455 0.000) 15.167 4.518 ( -7.847 -2.527 0.000) 8.244 4.520 ( 0.228 1.194 0.000) 1.215 4.716 ( 8.103 10.231 0.000) 13.051 4.822 ( 6.186 9.802 0.000) 11.591 4.944 ( 14.233 2.157 0.000) 14.396 4.978 ( -3.664 8.626 0.000) 9.372 5.092 ( -4.518 2.779 0.000) 5.304 5.222 ( 1.129 0.377 0.000) 1.190 5.312 ( 5.708 7.046 0.000) 9.068 5.428 ( -0.319 0.054 0.000) 0.324 5.447 ( -2.039 0.173 0.000) 2.047 5.657 ( 4.203 0.671 0.000) 4.256 5.680 ( -5.392 4.729 0.000) 7.172 5.762 ( 0.498 6.084 0.000) 6.104 6.156 ( -0.090 0.378 0.000) 0.388 6.174 ( -2.192 12.519 0.000) 12.710 6.533 ( 15.322 27.229 0.000) 31.244 6.984 ( 10.309 2.822 0.000) 10.688 7.122 ( -3.545 3.910 0.000) 5.278 7.164 ( 4.375 7.773 0.000) 8.919 7.212 ( -11.054 25.371 0.000) 27.674 7.397 ( 1.351 1.483 0.000) 2.006 7.489 ( -0.831 -1.880 0.000) 2.055 7.519 ( -14.947 3.781 0.000) 15.418 7.687 ( -7.572 -3.695 0.000) 8.425 7.958 ( -7.695 -2.281 0.000) 8.026 8.037 ( 0.383 -2.947 0.000) 2.972 8.147 ( -10.212 4.985 0.000) 11.363 8.192 ( 0.115 7.398 0.000) 7.399 8.420 ( -3.680 -0.642 0.000) 3.735 8.628 ( 6.962 3.610 0.000) 7.843 8.745 ( 9.817 7.768 0.000) 12.519 8.847 ( 5.317 -2.391 0.000) 5.830 8.913 ( 2.187 4.942 0.000) 5.404 9.266 ( 0.029 17.836 0.000) 17.836 9.315 ( -1.263 0.833 0.000) 1.513 9.341 ( -2.296 15.876 0.000) 16.041 9.420 ( -2.293 20.682 0.000) 20.809 10.000 ( 0.523 1.974 0.000) 2.043 10.129 ( -9.773 3.081 0.000) 10.247 10.260 ( -0.079 -1.966 0.000) 1.968 10.422 ( -8.119 7.341 0.000) 10.946 10.756 ( 14.110 -4.722 0.000) 14.879 10.765 ( 14.487 4.475 0.000) 15.162 10.849 ( 5.100 8.908 0.000) 10.265 10.851 ( 14.338 -1.271 0.000) 14.395 11.255 ( 0.018 1.646 0.000) 1.647 11.507 ( -4.582 8.446 0.000) 9.609 11.508 ( -3.841 10.856 0.000) 11.515 11.636 ( 0.586 4.715 0.000) 4.751 11.747 ( -2.956 4.510 0.000) 5.393 11.751 ( -13.009 1.721 0.000) 13.122 12.394 ( 3.625 6.315 0.000) 7.282 12.488 ( 0.728 0.065 0.000) 0.730 12.722 ( 6.865 -6.475 0.000) 9.437 12.936 ( -3.954 -4.666 0.000) 6.116 13.467 ( 3.867 -1.961 0.000) 4.335 13.503 ( 1.370 -3.651 0.000) 3.900 13.562 ( -0.807 -4.765 0.000) 4.833 13.727 ( -6.074 -0.172 0.000) 6.076 13.965 ( 6.946 -0.909 0.000) 7.005 14.294 ( -5.786 -0.246 0.000) 5.791 14.411 ( 1.427 5.290 0.000) 5.479 14.698 ( -6.605 -1.696 0.000) 6.819 15.191 ( 4.905 -1.449 0.000) 5.115 15.480 ( -7.274 -3.834 0.000) 8.223 15.794 ( 3.337 -1.452 0.000) 3.640 16.079 ( -14.005 12.674 0.000) 18.889 16.486 ( 10.065 0.623 0.000) 10.085 16.762 ( 5.144 -7.870 0.000) 9.402 16.885 ( -6.565 -5.201 0.000) 8.375 17.110 ( -12.685 -2.361 0.000) 12.902 17.520 ( 8.056 -7.692 0.000) 11.139 17.662 ( 9.730 -4.971 0.000) 10.926 17.823 ( -4.163 -5.030 0.000) 6.530 17.926 ( -2.916 -4.557 0.000) 5.410 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -17.572 8.885 0.000) 19.691 1.308 ( 17.572 8.885 0.000) 19.691 1.332 ( -10.658 29.333 0.000) 31.210 1.332 ( 10.658 29.333 0.000) 31.210 2.171 ( -17.410 4.818 0.000) 18.064 2.171 ( 17.410 4.818 0.000) 18.064 2.327 ( -25.503 4.389 0.000) 25.878 2.327 ( 25.503 4.389 0.000) 25.878 2.619 ( -11.825 3.492 0.000) 12.330 2.619 ( 11.825 3.492 0.000) 12.330 2.700 ( -2.681 3.302 0.000) 4.253 2.700 ( 2.681 3.302 0.000) 4.253 2.806 ( -1.964 2.740 0.000) 3.371 2.806 ( 1.964 2.740 0.000) 3.371 2.958 ( -1.084 -1.771 0.000) 2.076 2.958 ( 1.084 -1.771 0.000) 2.076 3.021 ( -6.405 -6.255 0.000) 8.953 3.021 ( 6.405 -6.255 0.000) 8.953 3.438 ( -4.811 -1.895 0.000) 5.171 3.438 ( 4.811 -1.895 0.000) 5.171 3.544 ( -7.274 1.421 0.000) 7.411 3.544 ( 7.274 1.421 0.000) 7.411 3.648 ( -2.197 8.241 0.000) 8.528 3.648 ( 2.197 8.241 0.000) 8.528 3.722 ( -9.229 2.309 0.000) 9.514 3.722 ( 9.229 2.309 0.000) 9.514 4.050 ( -0.124 -2.427 0.000) 2.431 4.050 ( 0.124 -2.427 0.000) 2.431 4.198 ( -9.102 6.546 0.000) 11.211 4.198 ( 9.102 6.546 0.000) 11.211 4.405 ( -1.529 -2.749 0.000) 3.145 4.405 ( 1.529 -2.749 0.000) 3.145 4.505 ( -1.432 14.694 0.000) 14.763 4.505 ( 1.432 14.694 0.000) 14.763 4.870 ( -6.137 8.920 0.000) 10.827 4.870 ( 6.137 8.920 0.000) 10.827 4.968 ( -7.375 2.779 0.000) 7.881 4.968 ( 7.375 2.779 0.000) 7.881 5.173 ( -6.810 -0.298 0.000) 6.817 5.173 ( 6.810 -0.298 0.000) 6.817 5.401 ( -2.425 -0.979 0.000) 2.615 5.401 ( 2.425 -0.979 0.000) 2.615 5.526 ( -8.796 6.030 0.000) 10.664 5.526 ( 8.796 6.030 0.000) 10.664 5.733 ( -2.901 5.331 0.000) 6.070 5.733 ( 2.901 5.331 0.000) 6.070 6.156 ( -0.146 4.537 0.000) 4.539 6.156 ( 0.146 4.537 0.000) 4.539 6.899 ( -18.829 32.151 0.000) 37.259 6.899 ( 18.829 32.151 0.000) 37.259 7.084 ( -2.100 -0.010 0.000) 2.100 7.084 ( 2.100 -0.010 0.000) 2.100 7.319 ( -4.743 2.824 0.000) 5.520 7.319 ( 4.743 2.824 0.000) 5.520 7.460 ( -3.210 -0.412 0.000) 3.236 7.460 ( 3.210 -0.412 0.000) 3.236 7.681 ( -12.900 1.150 0.000) 12.951 7.681 ( 12.900 1.150 0.000) 12.951 8.050 ( -1.278 -1.855 0.000) 2.253 8.050 ( 1.278 -1.855 0.000) 2.253 8.277 ( -7.019 2.284 0.000) 7.381 8.277 ( 7.019 2.284 0.000) 7.381 8.806 ( -5.234 8.954 0.000) 10.371 8.806 ( 5.234 8.954 0.000) 10.371 8.945 ( -2.011 -2.213 0.000) 2.990 8.945 ( 2.011 -2.213 0.000) 2.990 9.284 ( -1.155 7.198 0.000) 7.290 9.284 ( 1.155 7.198 0.000) 7.290 9.327 ( -3.562 19.263 0.000) 19.590 9.327 ( 3.562 19.263 0.000) 19.590 10.066 ( -1.287 4.692 0.000) 4.865 10.066 ( 1.287 4.692 0.000) 4.865 10.212 ( -8.263 9.675 0.000) 12.724 10.212 ( 8.263 9.675 0.000) 12.724 10.935 ( -0.243 4.918 0.000) 4.924 10.935 ( 0.243 4.918 0.000) 4.924 10.984 ( -5.290 -5.003 0.000) 7.281 10.984 ( 5.290 -5.003 0.000) 7.281 11.379 ( -13.347 2.754 0.000) 13.629 11.379 ( 13.347 2.754 0.000) 13.629 11.473 ( -3.073 10.698 0.000) 11.130 11.473 ( 3.073 10.698 0.000) 11.130 11.689 ( -2.231 5.081 0.000) 5.549 11.689 ( 2.231 5.081 0.000) 5.549 12.466 ( -2.789 2.733 0.000) 3.905 12.466 ( 2.789 2.733 0.000) 3.905 12.838 ( -5.195 -7.377 0.000) 9.023 12.838 ( 5.195 -7.377 0.000) 9.023 13.536 ( -1.608 -4.070 0.000) 4.376 13.536 ( 1.608 -4.070 0.000) 4.376 13.581 ( -7.004 -0.172 0.000) 7.006 13.581 ( 7.004 -0.172 0.000) 7.006 14.137 ( -8.938 -1.459 0.000) 9.056 14.137 ( 8.938 -1.459 0.000) 9.056 14.535 ( -8.448 0.098 0.000) 8.449 14.535 ( 8.448 0.098 0.000) 8.449 15.321 ( -7.517 -2.380 0.000) 7.885 15.321 ( 7.517 -2.380 0.000) 7.885 15.890 ( -6.220 4.878 0.000) 7.905 15.890 ( 6.220 4.878 0.000) 7.905 16.716 ( -10.538 -3.163 0.000) 11.003 16.716 ( 10.538 -3.163 0.000) 11.003 16.881 ( -8.182 -4.679 0.000) 9.425 16.881 ( 8.182 -4.679 0.000) 9.425 17.694 ( -8.020 -6.078 0.000) 10.062 17.694 ( 8.020 -6.078 0.000) 10.062 17.830 ( -6.527 -4.743 0.000) 8.069 17.830 ( 6.527 -4.743 0.000) 8.069 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 23.231 0.000) 23.231 1.014 ( 0.000 25.112 0.000) 25.112 1.878 ( 0.000 3.388 0.000) 3.388 2.176 ( 0.000 1.924 0.000) 1.924 2.183 ( 0.000 -0.450 0.000) 0.450 2.228 ( 0.000 12.813 0.000) 12.813 2.286 ( 0.000 49.380 0.000) 49.380 2.438 ( 0.000 8.273 0.000) 8.273 2.544 ( 0.000 -6.351 0.000) 6.351 2.667 ( 0.000 -5.755 0.000) 5.755 2.749 ( 0.000 -6.439 0.000) 6.439 2.753 ( 0.000 9.481 0.000) 9.481 2.851 ( 0.000 -1.116 0.000) 1.116 3.059 ( 0.000 -8.956 0.000) 8.956 3.071 ( 0.000 -4.580 0.000) 4.580 3.072 ( 0.000 12.438 0.000) 12.438 3.093 ( 0.000 -3.522 0.000) 3.522 3.227 ( 0.000 9.457 0.000) 9.457 3.423 ( 0.000 -15.428 0.000) 15.428 3.439 ( 0.000 2.049 0.000) 2.049 3.472 ( 0.000 3.301 0.000) 3.301 3.479 ( 0.000 -6.757 0.000) 6.757 3.653 ( 0.000 -0.187 0.000) 0.187 3.760 ( 0.000 -2.755 0.000) 2.755 3.887 ( 0.000 -3.318 0.000) 3.318 3.916 ( 0.000 -4.501 0.000) 4.501 4.028 ( 0.000 6.891 0.000) 6.891 4.029 ( 0.000 -3.508 0.000) 3.508 4.129 ( 0.000 2.561 0.000) 2.561 4.267 ( 0.000 12.223 0.000) 12.223 4.307 ( 0.000 -3.732 0.000) 3.732 4.586 ( 0.000 13.408 0.000) 13.408 4.601 ( 0.000 -6.381 0.000) 6.381 4.680 ( 0.000 -0.689 0.000) 0.689 4.855 ( 0.000 22.072 0.000) 22.072 5.001 ( 0.000 9.005 0.000) 9.005 5.073 ( 0.000 15.036 0.000) 15.036 5.116 ( 0.000 3.919 0.000) 3.919 5.223 ( 0.000 5.265 0.000) 5.265 5.278 ( 0.000 5.774 0.000) 5.774 5.429 ( 0.000 -1.372 0.000) 1.372 5.471 ( 0.000 -0.299 0.000) 0.299 5.520 ( 0.000 -2.113 0.000) 2.113 5.665 ( 0.000 29.772 0.000) 29.772 5.892 ( 0.000 12.485 0.000) 12.485 6.035 ( 0.000 10.395 0.000) 10.395 6.123 ( 0.000 5.093 0.000) 5.093 6.384 ( 0.000 6.107 0.000) 6.107 7.033 ( 0.000 12.645 0.000) 12.645 7.143 ( 0.000 -1.602 0.000) 1.602 7.231 ( 0.000 49.667 0.000) 49.667 7.262 ( 0.000 -2.810 0.000) 2.810 7.303 ( 0.000 11.395 0.000) 11.395 7.441 ( 0.000 -3.514 0.000) 3.514 7.562 ( 0.000 -4.542 0.000) 4.542 7.659 ( 0.000 -4.584 0.000) 4.584 7.851 ( 0.000 1.677 0.000) 1.677 7.955 ( 0.000 -4.589 0.000) 4.589 8.123 ( 0.000 16.740 0.000) 16.740 8.451 ( 0.000 7.432 0.000) 7.432 8.482 ( 0.000 10.752 0.000) 10.752 8.496 ( 0.000 8.676 0.000) 8.676 8.631 ( 0.000 1.817 0.000) 1.817 8.652 ( 0.000 -0.582 0.000) 0.582 8.818 ( 0.000 7.810 0.000) 7.810 9.209 ( 0.000 1.439 0.000) 1.439 9.249 ( 0.000 -1.536 0.000) 1.536 9.647 ( 0.000 7.198 0.000) 7.198 9.708 ( 0.000 22.576 0.000) 22.576 9.714 ( 0.000 17.771 0.000) 17.771 9.953 ( 0.000 13.897 0.000) 13.897 10.082 ( 0.000 6.895 0.000) 6.895 10.452 ( 0.000 -2.133 0.000) 2.133 10.460 ( 0.000 -5.341 0.000) 5.341 10.673 ( 0.000 18.129 0.000) 18.129 10.694 ( 0.000 20.516 0.000) 20.516 10.901 ( 0.000 5.617 0.000) 5.617 11.168 ( 0.000 21.974 0.000) 21.974 11.351 ( 0.000 7.030 0.000) 7.030 11.685 ( 0.000 9.383 0.000) 9.383 11.694 ( 0.000 5.603 0.000) 5.603 11.882 ( 0.000 12.616 0.000) 12.616 11.904 ( 0.000 7.060 0.000) 7.060 11.968 ( 0.000 8.335 0.000) 8.335 12.445 ( 0.000 -0.738 0.000) 0.738 12.547 ( 0.000 9.705 0.000) 9.705 12.753 ( 0.000 7.159 0.000) 7.159 12.856 ( 0.000 -9.831 0.000) 9.831 13.366 ( 0.000 -2.646 0.000) 2.646 13.384 ( 0.000 -7.865 0.000) 7.865 13.416 ( 0.000 -10.628 0.000) 10.628 13.782 ( 0.000 -7.325 0.000) 7.325 13.867 ( 0.000 8.739 0.000) 8.739 14.389 ( 0.000 2.878 0.000) 2.878 14.530 ( 0.000 4.994 0.000) 4.994 14.766 ( 0.000 2.416 0.000) 2.416 15.083 ( 0.000 -5.125 0.000) 5.125 15.433 ( 0.000 -8.625 0.000) 8.625 15.660 ( 0.000 -4.942 0.000) 4.942 16.235 ( 0.000 -16.172 0.000) 16.172 16.448 ( 0.000 7.651 0.000) 7.651 16.710 ( 0.000 7.433 0.000) 7.433 16.841 ( 0.000 -8.985 0.000) 8.985 17.134 ( 0.000 -13.433 0.000) 13.433 17.312 ( 0.000 -8.288 0.000) 8.288 17.329 ( 0.000 -5.393 0.000) 5.393 17.760 ( 0.000 -6.612 0.000) 6.612 17.820 ( 0.000 -9.127 0.000) 9.127 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 14.338 20.065 0.000) 24.661 1.252 ( 27.777 15.243 0.000) 31.685 1.791 ( -8.739 6.117 0.000) 10.667 2.074 ( -9.460 15.917 0.000) 18.516 2.191 ( 0.625 -1.002 0.000) 1.181 2.215 ( -0.552 1.054 0.000) 1.190 2.353 ( 7.582 41.679 0.000) 42.363 2.496 ( 3.836 2.107 0.000) 4.376 2.565 ( 1.330 -4.275 0.000) 4.478 2.712 ( 4.463 -6.206 0.000) 7.644 2.738 ( -1.447 -5.300 0.000) 5.495 2.794 ( 3.954 9.858 0.000) 10.621 2.796 ( -2.925 -2.436 0.000) 3.807 3.002 ( -5.576 2.802 0.000) 6.240 3.040 ( -2.331 3.476 0.000) 4.185 3.044 ( -4.181 0.952 0.000) 4.288 3.088 ( -2.951 2.106 0.000) 3.626 3.192 ( 2.042 -5.160 0.000) 5.550 3.303 ( -22.079 4.303 0.000) 22.494 3.435 ( -2.599 -7.366 0.000) 7.811 3.479 ( 4.465 3.780 0.000) 5.850 3.557 ( 5.272 0.525 0.000) 5.298 3.573 ( -3.938 -2.243 0.000) 4.532 3.678 ( -4.723 0.554 0.000) 4.756 3.750 ( 1.186 0.147 0.000) 1.195 3.954 ( -0.263 -3.010 0.000) 3.022 3.982 ( 6.315 -5.171 0.000) 8.162 4.027 ( 1.012 -3.903 0.000) 4.032 4.116 ( -9.139 4.071 0.000) 10.005 4.344 ( 2.005 4.151 0.000) 4.610 4.407 ( -8.851 -5.823 0.000) 10.595 4.541 ( -4.115 12.409 0.000) 13.073 4.574 ( 19.064 3.850 0.000) 19.449 4.890 ( 2.465 20.987 0.000) 21.131 4.911 ( 11.346 0.356 0.000) 11.352 5.007 ( 1.215 10.752 0.000) 10.820 5.102 ( 2.767 11.493 0.000) 11.821 5.113 ( -1.111 4.690 0.000) 4.820 5.160 ( -5.755 3.372 0.000) 6.671 5.265 ( -1.388 5.034 0.000) 5.222 5.370 ( -1.741 -1.183 0.000) 2.105 5.441 ( -2.673 -0.378 0.000) 2.699 5.629 ( 5.419 9.427 0.000) 10.873 5.722 ( 6.350 16.561 0.000) 17.737 5.845 ( -4.361 13.018 0.000) 13.729 5.994 ( -3.957 7.973 0.000) 8.901 6.158 ( 3.381 7.039 0.000) 7.809 6.350 ( -3.489 7.992 0.000) 8.720 7.058 ( 2.707 9.435 0.000) 9.816 7.123 ( -1.322 -0.194 0.000) 1.336 7.256 ( 1.988 19.392 0.000) 19.494 7.294 ( 2.399 -3.370 0.000) 4.137 7.387 ( 2.454 14.141 0.000) 14.352 7.446 ( -6.323 -2.136 0.000) 6.674 7.485 ( 9.275 10.280 0.000) 13.846 7.657 ( 0.375 6.483 0.000) 6.494 7.856 ( -0.839 1.741 0.000) 1.932 7.962 ( 0.839 -4.299 0.000) 4.380 8.060 ( -13.813 28.971 0.000) 32.095 8.259 ( -13.867 7.078 0.000) 15.569 8.354 ( -5.168 8.431 0.000) 9.888 8.453 ( -4.577 3.199 0.000) 5.585 8.677 ( 11.696 2.520 0.000) 11.964 8.780 ( 7.354 -1.905 0.000) 7.596 8.944 ( 8.781 9.502 0.000) 12.938 9.055 ( -5.367 6.162 0.000) 8.172 9.305 ( 3.761 -0.931 0.000) 3.875 9.596 ( -9.982 13.138 0.000) 16.500 9.730 ( 0.953 21.153 0.000) 21.174 9.901 ( -5.862 22.284 0.000) 23.043 10.054 ( 11.901 6.738 0.000) 13.676 10.198 ( 20.493 0.592 0.000) 20.502 10.319 ( -7.177 14.705 0.000) 16.363 10.607 ( -1.489 12.989 0.000) 13.074 10.646 ( 15.311 -7.283 0.000) 16.955 10.869 ( 4.452 8.593 0.000) 9.678 10.908 ( 2.214 5.996 0.000) 6.391 11.158 ( -0.056 20.785 0.000) 20.785 11.356 ( 1.205 7.902 0.000) 7.993 11.660 ( -4.954 5.458 0.000) 7.371 11.664 ( -1.637 8.960 0.000) 9.108 11.775 ( -10.753 2.323 0.000) 11.002 11.873 ( -3.266 14.443 0.000) 14.807 11.878 ( -1.919 7.966 0.000) 8.194 12.505 ( 3.569 1.969 0.000) 4.076 12.553 ( 0.414 8.761 0.000) 8.771 12.732 ( -1.564 3.980 0.000) 4.276 12.806 ( -4.237 -8.501 0.000) 9.498 13.383 ( 0.143 -8.663 0.000) 8.665 13.385 ( 1.120 -8.376 0.000) 8.450 13.450 ( 3.800 -4.229 0.000) 5.685 13.706 ( -5.650 -2.496 0.000) 6.176 13.963 ( 7.054 2.510 0.000) 7.487 14.311 ( -7.219 1.851 0.000) 7.453 14.519 ( 0.104 6.447 0.000) 6.448 14.680 ( -6.299 1.306 0.000) 6.433 15.139 ( 4.561 -4.055 0.000) 6.104 15.371 ( -5.277 -7.105 0.000) 8.850 15.759 ( 8.624 -1.774 0.000) 8.805 16.163 ( -7.367 -6.743 0.000) 9.987 16.495 ( 4.002 2.632 0.000) 4.790 16.707 ( 2.199 3.606 0.000) 4.224 16.727 ( -7.611 -10.524 0.000) 12.988 17.062 ( -11.118 -2.170 0.000) 11.328 17.310 ( 10.443 -13.268 0.000) 16.884 17.533 ( 9.489 -7.780 0.000) 12.270 17.694 ( -5.931 -8.243 0.000) 10.155 17.795 ( -2.848 -8.670 0.000) 9.126 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -15.204 12.178 0.000) 19.480 1.507 ( 15.204 12.178 0.000) 19.480 1.790 ( -18.894 15.549 0.000) 24.470 1.790 ( 18.894 15.549 0.000) 24.470 2.204 ( -0.622 -0.935 0.000) 1.124 2.204 ( 0.622 -0.935 0.000) 1.124 2.548 ( -0.599 -3.458 0.000) 3.510 2.548 ( 0.599 -3.458 0.000) 3.510 2.636 ( -11.462 13.659 0.000) 17.831 2.636 ( 11.462 13.659 0.000) 17.831 2.813 ( -10.091 4.145 0.000) 10.909 2.813 ( 10.091 4.145 0.000) 10.909 2.842 ( -5.549 -6.341 0.000) 8.426 2.842 ( 5.549 -6.341 0.000) 8.426 2.939 ( -5.229 11.341 0.000) 12.488 2.939 ( 5.229 11.341 0.000) 12.488 3.031 ( -0.227 9.737 0.000) 9.740 3.031 ( 0.227 9.737 0.000) 9.740 3.317 ( -7.421 -8.666 0.000) 11.409 3.317 ( 7.421 -8.666 0.000) 11.409 3.553 ( -1.847 -2.409 0.000) 3.035 3.553 ( 1.847 -2.409 0.000) 3.035 3.624 ( -1.596 -1.560 0.000) 2.232 3.624 ( 1.596 -1.560 0.000) 2.232 3.872 ( -9.472 4.651 0.000) 10.553 3.872 ( 9.472 4.651 0.000) 10.553 3.995 ( -0.342 -3.083 0.000) 3.102 3.995 ( 0.342 -3.083 0.000) 3.102 4.188 ( -10.174 -7.778 0.000) 12.807 4.188 ( 10.174 -7.778 0.000) 12.807 4.441 ( -4.986 9.583 0.000) 10.802 4.441 ( 4.986 9.583 0.000) 10.802 4.868 ( -7.959 12.805 0.000) 15.077 4.868 ( 7.959 12.805 0.000) 15.077 5.030 ( -3.975 5.298 0.000) 6.623 5.030 ( 3.975 5.298 0.000) 6.623 5.071 ( -3.190 7.692 0.000) 8.328 5.071 ( 3.190 7.692 0.000) 8.328 5.200 ( -5.325 4.150 0.000) 6.752 5.200 ( 5.325 4.150 0.000) 6.752 5.381 ( -2.454 -0.674 0.000) 2.544 5.381 ( 2.454 -0.674 0.000) 2.544 5.735 ( -5.638 15.157 0.000) 16.172 5.735 ( 5.638 15.157 0.000) 16.172 5.877 ( -7.297 6.582 0.000) 9.827 5.877 ( 7.297 6.582 0.000) 9.827 6.253 ( -5.341 8.777 0.000) 10.274 6.253 ( 5.341 8.777 0.000) 10.274 7.101 ( -1.106 2.228 0.000) 2.487 7.101 ( 1.106 2.228 0.000) 2.487 7.314 ( -1.866 -1.765 0.000) 2.569 7.314 ( 1.866 -1.765 0.000) 2.569 7.385 ( -0.299 1.633 0.000) 1.660 7.385 ( 0.299 1.633 0.000) 1.660 7.744 ( -12.562 15.631 0.000) 20.053 7.744 ( 12.562 15.631 0.000) 20.053 7.758 ( -10.067 26.769 0.000) 28.600 7.758 ( 10.067 26.769 0.000) 28.600 8.017 ( -6.542 1.046 0.000) 6.625 8.017 ( 6.542 1.046 0.000) 6.625 8.344 ( -3.702 3.981 0.000) 5.437 8.344 ( 3.702 3.981 0.000) 5.437 8.925 ( -4.041 0.117 0.000) 4.042 8.925 ( 4.041 0.117 0.000) 4.042 8.987 ( -6.321 8.709 0.000) 10.761 8.987 ( 6.321 8.709 0.000) 10.761 9.385 ( -6.543 3.312 0.000) 7.333 9.385 ( 6.543 3.312 0.000) 7.333 9.773 ( -3.958 21.451 0.000) 21.813 9.773 ( 3.958 21.451 0.000) 21.813 10.243 ( -3.008 14.420 0.000) 14.731 10.243 ( 3.008 14.420 0.000) 14.731 10.477 ( -11.103 17.352 0.000) 20.600 10.477 ( 11.103 17.352 0.000) 20.600 10.877 ( -2.537 -6.108 0.000) 6.614 10.877 ( 2.537 -6.108 0.000) 6.614 11.079 ( -11.124 9.630 0.000) 14.713 11.079 ( 11.124 9.630 0.000) 14.713 11.458 ( -9.708 5.283 0.000) 11.052 11.458 ( 9.708 5.283 0.000) 11.052 11.653 ( -1.723 6.927 0.000) 7.138 11.653 ( 1.723 6.927 0.000) 7.138 11.847 ( -0.596 10.322 0.000) 10.340 11.847 ( 0.596 10.322 0.000) 10.340 12.551 ( -0.965 5.897 0.000) 5.975 12.551 ( 0.965 5.897 0.000) 5.975 12.729 ( -2.126 -3.332 0.000) 3.952 12.729 ( 2.126 -3.332 0.000) 3.952 13.391 ( -0.390 -10.091 0.000) 10.099 13.391 ( 0.390 -10.091 0.000) 10.099 13.569 ( -7.092 -1.470 0.000) 7.243 13.569 ( 7.092 -1.470 0.000) 7.243 14.132 ( -9.174 0.721 0.000) 9.202 14.132 ( 9.174 0.721 0.000) 9.202 14.565 ( -4.374 4.304 0.000) 6.137 14.565 ( 4.374 4.304 0.000) 6.137 15.250 ( -6.016 -4.890 0.000) 7.753 15.250 ( 6.016 -4.890 0.000) 7.753 15.966 ( -10.722 1.164 0.000) 10.785 15.966 ( 10.722 1.164 0.000) 10.785 16.590 ( -5.509 -7.991 0.000) 9.706 16.590 ( 5.509 -7.991 0.000) 9.706 16.839 ( -9.759 0.867 0.000) 9.797 16.839 ( 9.759 0.867 0.000) 9.797 17.529 ( -9.932 -10.538 0.000) 14.481 17.529 ( 9.932 -10.538 0.000) 14.481 17.699 ( -6.527 -8.466 0.000) 10.690 17.699 ( 6.527 -8.466 0.000) 10.690 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 23.038 0.000) 23.038 1.487 ( 0.000 22.847 0.000) 22.847 1.933 ( 0.000 2.271 0.000) 2.271 2.170 ( 0.000 -0.957 0.000) 0.957 2.175 ( 0.000 -1.165 0.000) 1.165 2.401 ( 0.000 5.561 0.000) 5.561 2.433 ( 0.000 -4.140 0.000) 4.140 2.540 ( 0.000 -7.175 0.000) 7.175 2.558 ( 0.000 3.411 0.000) 3.411 2.628 ( 0.000 -4.819 0.000) 4.819 2.741 ( 0.000 -14.173 0.000) 14.173 2.814 ( 0.000 -4.058 0.000) 4.058 2.866 ( 0.000 1.934 0.000) 1.934 2.896 ( 0.000 3.307 0.000) 3.307 3.059 ( 0.000 -7.188 0.000) 7.188 3.265 ( 0.000 6.714 0.000) 6.714 3.308 ( 0.000 -10.005 0.000) 10.005 3.328 ( 0.000 24.679 0.000) 24.679 3.347 ( 0.000 13.503 0.000) 13.503 3.394 ( 0.000 7.373 0.000) 7.373 3.500 ( 0.000 7.774 0.000) 7.774 3.518 ( 0.000 1.490 0.000) 1.490 3.658 ( 0.000 0.752 0.000) 0.752 3.688 ( 0.000 -3.504 0.000) 3.504 3.757 ( 0.000 -7.349 0.000) 7.349 3.804 ( 0.000 -6.452 0.000) 6.452 3.977 ( 0.000 0.711 0.000) 0.711 4.160 ( 0.000 -0.413 0.000) 0.413 4.170 ( 0.000 7.125 0.000) 7.125 4.325 ( 0.000 5.613 0.000) 5.613 4.442 ( 0.000 4.269 0.000) 4.269 4.466 ( 0.000 -5.389 0.000) 5.389 4.646 ( 0.000 -2.911 0.000) 2.911 4.806 ( 0.000 5.475 0.000) 5.475 5.105 ( 0.000 3.145 0.000) 3.145 5.158 ( 0.000 9.757 0.000) 9.757 5.183 ( 0.000 3.995 0.000) 3.995 5.212 ( 0.000 0.549 0.000) 0.549 5.336 ( 0.000 5.649 0.000) 5.649 5.401 ( 0.000 5.011 0.000) 5.011 5.412 ( 0.000 0.148 0.000) 0.148 5.456 ( 0.000 -1.238 0.000) 1.238 5.538 ( 0.000 1.899 0.000) 1.899 5.862 ( 0.000 -14.543 0.000) 14.543 6.242 ( 0.000 21.399 0.000) 21.399 6.251 ( 0.000 27.182 0.000) 27.182 6.524 ( 0.000 8.544 0.000) 8.544 6.541 ( 0.000 21.280 0.000) 21.280 7.131 ( 0.000 1.596 0.000) 1.596 7.212 ( 0.000 -1.853 0.000) 1.853 7.247 ( 0.000 8.080 0.000) 8.080 7.352 ( 0.000 -4.623 0.000) 4.623 7.456 ( 0.000 -6.287 0.000) 6.287 7.549 ( 0.000 4.219 0.000) 4.219 7.632 ( 0.000 9.912 0.000) 9.912 7.757 ( 0.000 -8.116 0.000) 8.116 7.819 ( 0.000 -3.635 0.000) 3.635 8.012 ( 0.000 17.185 0.000) 17.185 8.403 ( 0.000 8.314 0.000) 8.314 8.573 ( 0.000 4.032 0.000) 4.032 8.643 ( 0.000 5.459 0.000) 5.459 8.655 ( 0.000 2.525 0.000) 2.525 8.662 ( 0.000 3.674 0.000) 3.674 8.804 ( 0.000 18.684 0.000) 18.684 9.054 ( 0.000 -9.675 0.000) 9.675 9.087 ( 0.000 21.036 0.000) 21.036 9.332 ( 0.000 3.457 0.000) 3.457 9.870 ( 0.000 14.761 0.000) 14.761 9.901 ( 0.000 -3.917 0.000) 3.917 10.002 ( 0.000 4.609 0.000) 4.609 10.062 ( 0.000 17.834 0.000) 17.834 10.336 ( 0.000 -6.586 0.000) 6.586 10.444 ( 0.000 2.908 0.000) 2.908 10.605 ( 0.000 23.095 0.000) 23.095 10.990 ( 0.000 8.711 0.000) 8.711 11.106 ( 0.000 22.938 0.000) 22.938 11.139 ( 0.000 22.268 0.000) 22.268 11.513 ( 0.000 8.788 0.000) 8.788 11.606 ( 0.000 17.205 0.000) 17.205 11.837 ( 0.000 9.337 0.000) 9.337 11.951 ( 0.000 15.435 0.000) 15.435 12.014 ( 0.000 9.939 0.000) 9.939 12.059 ( 0.000 10.173 0.000) 10.173 12.269 ( 0.000 17.101 0.000) 17.101 12.435 ( 0.000 -0.883 0.000) 0.883 12.595 ( 0.000 -15.479 0.000) 15.479 12.614 ( 0.000 -5.710 0.000) 5.710 12.887 ( 0.000 7.901 0.000) 7.901 13.151 ( 0.000 -16.336 0.000) 16.336 13.179 ( 0.000 -12.511 0.000) 12.511 13.322 ( 0.000 -2.940 0.000) 2.940 13.593 ( 0.000 -11.578 0.000) 11.578 14.178 ( 0.000 22.430 0.000) 22.430 14.453 ( 0.000 3.039 0.000) 3.039 14.649 ( 0.000 6.959 0.000) 6.959 14.907 ( 0.000 -12.527 0.000) 12.527 14.929 ( 0.000 14.932 0.000) 14.932 15.245 ( 0.000 -10.027 0.000) 10.027 15.603 ( 0.000 -0.647 0.000) 0.647 15.846 ( 0.000 -23.208 0.000) 23.208 16.617 ( 0.000 -13.210 0.000) 13.210 16.647 ( 0.000 12.419 0.000) 12.419 16.816 ( 0.000 -17.677 0.000) 17.677 16.882 ( 0.000 9.796 0.000) 9.796 17.173 ( 0.000 -5.254 0.000) 5.254 17.234 ( 0.000 -4.675 0.000) 4.675 17.601 ( 0.000 -12.964 0.000) 12.964 17.601 ( 0.000 -9.428 0.000) 9.428 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 7.880 19.685 0.000) 21.203 1.578 ( 19.909 17.549 0.000) 26.540 1.903 ( -3.443 5.020 0.000) 6.087 2.161 ( -1.367 -1.134 0.000) 1.776 2.169 ( 0.027 -1.214 0.000) 1.214 2.358 ( -6.371 8.676 0.000) 10.764 2.438 ( 1.008 -4.404 0.000) 4.518 2.509 ( -2.758 -0.538 0.000) 2.810 2.578 ( 3.682 -6.743 0.000) 7.683 2.646 ( 1.449 -2.761 0.000) 3.118 2.751 ( -4.029 -2.057 0.000) 4.523 2.788 ( 1.065 -4.611 0.000) 4.733 2.796 ( -2.741 -6.534 0.000) 7.086 2.946 ( -8.375 -7.951 0.000) 11.548 2.974 ( 4.517 -4.560 0.000) 6.419 3.194 ( -3.778 4.656 0.000) 5.996 3.249 ( -5.649 -0.995 0.000) 5.736 3.276 ( -5.179 8.909 0.000) 10.304 3.386 ( 3.175 23.730 0.000) 23.942 3.424 ( 4.791 4.417 0.000) 6.516 3.544 ( 0.536 3.005 0.000) 3.053 3.562 ( 2.957 3.198 0.000) 4.355 3.637 ( -1.367 -0.687 0.000) 1.530 3.737 ( 6.508 0.423 0.000) 6.522 3.812 ( -14.922 18.947 0.000) 24.118 3.840 ( 7.285 -7.654 0.000) 10.567 3.863 ( 1.893 -5.566 0.000) 5.879 3.969 ( -0.875 0.500 0.000) 1.008 4.131 ( -7.437 -0.901 0.000) 7.491 4.255 ( -11.835 -6.226 0.000) 13.373 4.486 ( 4.733 5.313 0.000) 7.115 4.636 ( 17.273 2.703 0.000) 17.483 4.752 ( -5.177 6.389 0.000) 8.223 4.887 ( 14.678 -2.870 0.000) 14.956 5.121 ( 1.334 3.226 0.000) 3.491 5.142 ( -0.902 3.636 0.000) 3.746 5.194 ( -1.214 4.479 0.000) 4.641 5.228 ( -7.694 5.790 0.000) 9.629 5.241 ( 2.324 1.446 0.000) 2.737 5.381 ( -0.917 2.848 0.000) 2.991 5.381 ( -3.041 4.284 0.000) 5.254 5.437 ( -1.732 0.163 0.000) 1.740 5.635 ( 6.935 -2.833 0.000) 7.491 5.847 ( -1.933 -13.122 0.000) 13.264 6.220 ( -1.418 21.590 0.000) 21.636 6.233 ( -1.459 25.954 0.000) 25.995 6.528 ( -0.827 19.580 0.000) 19.598 6.531 ( 0.294 10.203 0.000) 10.207 7.145 ( 1.392 3.469 0.000) 3.738 7.226 ( 1.178 -2.946 0.000) 3.173 7.228 ( -1.768 7.822 0.000) 8.019 7.296 ( -3.848 -3.367 0.000) 5.112 7.378 ( -4.629 -4.528 0.000) 6.476 7.469 ( -6.459 -1.121 0.000) 6.556 7.702 ( 5.948 9.751 0.000) 11.422 7.762 ( 0.422 -7.797 0.000) 7.809 7.849 ( 3.613 -2.123 0.000) 4.191 8.137 ( 10.044 13.471 0.000) 16.803 8.383 ( -15.245 6.754 0.000) 16.674 8.483 ( -2.278 3.172 0.000) 3.905 8.570 ( -2.860 15.008 0.000) 15.279 8.664 ( -3.944 14.435 0.000) 14.964 8.762 ( 7.059 0.159 0.000) 7.061 8.802 ( 13.199 16.877 0.000) 21.425 9.082 ( -2.640 -2.839 0.000) 3.877 9.167 ( 5.711 15.473 0.000) 16.493 9.314 ( 3.263 1.546 0.000) 3.610 9.826 ( -17.918 9.628 0.000) 20.341 9.949 ( 4.212 -1.689 0.000) 4.538 10.003 ( -0.947 7.541 0.000) 7.600 10.262 ( 27.674 7.289 0.000) 28.618 10.446 ( 12.400 -2.615 0.000) 12.672 10.571 ( 8.503 7.110 0.000) 11.083 10.663 ( 4.967 23.567 0.000) 24.084 10.937 ( -10.131 20.132 0.000) 22.538 11.014 ( 3.610 6.842 0.000) 7.736 11.176 ( -4.304 21.479 0.000) 21.906 11.528 ( 1.416 8.659 0.000) 8.774 11.597 ( -2.891 18.969 0.000) 19.188 11.756 ( -17.502 4.090 0.000) 17.973 11.828 ( -3.714 6.614 0.000) 7.586 11.923 ( -3.733 17.586 0.000) 17.978 12.028 ( -1.162 6.968 0.000) 7.064 12.125 ( -7.151 10.379 0.000) 12.604 12.572 ( 6.512 0.939 0.000) 6.579 12.613 ( 2.047 -6.100 0.000) 6.434 12.625 ( 0.769 -4.911 0.000) 4.971 12.839 ( -4.647 8.610 0.000) 9.784 13.139 ( -0.348 -15.846 0.000) 15.850 13.162 ( -1.262 -13.732 0.000) 13.790 13.388 ( 5.125 -4.280 0.000) 6.678 13.573 ( -2.269 -10.882 0.000) 11.116 14.173 ( 0.156 18.854 0.000) 18.854 14.357 ( -7.807 3.482 0.000) 8.548 14.667 ( 1.655 8.414 0.000) 8.575 14.781 ( -4.741 6.291 0.000) 7.877 15.050 ( 4.925 -2.138 0.000) 5.369 15.212 ( -2.957 -8.718 0.000) 9.206 15.720 ( 8.807 -3.203 0.000) 9.371 15.858 ( 0.886 -21.446 0.000) 21.464 16.512 ( -4.229 -9.385 0.000) 10.294 16.636 ( -2.724 10.629 0.000) 10.973 16.849 ( -0.930 9.659 0.000) 9.704 17.014 ( 13.507 -16.228 0.000) 21.114 17.040 ( -7.352 0.057 0.000) 7.353 17.368 ( 7.396 -8.767 0.000) 11.470 17.495 ( -7.877 -12.021 0.000) 14.371 17.594 ( -2.695 -11.479 0.000) 11.791 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -8.400 12.648 0.000) 15.183 1.759 ( 8.400 12.648 0.000) 15.183 2.026 ( -17.545 9.035 0.000) 19.735 2.026 ( 17.545 9.035 0.000) 19.735 2.187 ( -3.115 0.379 0.000) 3.138 2.187 ( 3.115 0.379 0.000) 3.138 2.475 ( -1.792 -2.557 0.000) 3.123 2.475 ( 1.792 -2.557 0.000) 3.123 2.668 ( -1.360 -2.566 0.000) 2.905 2.668 ( 1.360 -2.566 0.000) 2.905 2.691 ( -3.001 -6.481 0.000) 7.142 2.691 ( 3.001 -6.481 0.000) 7.142 2.832 ( -2.856 -5.149 0.000) 5.888 2.832 ( 2.856 -5.149 0.000) 5.888 3.088 ( -6.401 -10.529 0.000) 12.322 3.088 ( 6.401 -10.529 0.000) 12.322 3.197 ( -1.605 11.982 0.000) 12.088 3.197 ( 1.605 11.982 0.000) 12.088 3.496 ( -0.774 -0.048 0.000) 0.775 3.496 ( 0.774 -0.048 0.000) 0.775 3.541 ( -6.640 25.333 0.000) 26.189 3.541 ( 6.640 25.333 0.000) 26.189 3.608 ( -1.702 0.058 0.000) 1.703 3.608 ( 1.702 0.058 0.000) 1.703 3.929 ( -7.032 3.728 0.000) 7.959 3.929 ( 7.032 3.728 0.000) 7.959 3.934 ( -1.158 -2.711 0.000) 2.948 3.934 ( 1.158 -2.711 0.000) 2.948 4.028 ( -10.365 -6.873 0.000) 12.437 4.028 ( 10.365 -6.873 0.000) 12.437 4.616 ( -7.317 6.318 0.000) 9.667 4.616 ( 7.317 6.318 0.000) 9.667 4.963 ( -14.289 0.481 0.000) 14.297 4.963 ( 14.289 0.481 0.000) 14.297 5.131 ( -6.307 0.277 0.000) 6.313 5.131 ( 6.307 0.277 0.000) 6.313 5.150 ( -2.478 5.061 0.000) 5.636 5.150 ( 2.478 5.061 0.000) 5.636 5.298 ( -3.654 2.457 0.000) 4.403 5.298 ( 3.654 2.457 0.000) 4.403 5.395 ( -1.890 2.704 0.000) 3.299 5.395 ( 1.890 2.704 0.000) 3.299 5.770 ( -5.552 -8.491 0.000) 10.145 5.770 ( 5.552 -8.491 0.000) 10.145 6.209 ( -0.490 23.149 0.000) 23.154 6.209 ( 0.490 23.149 0.000) 23.154 6.526 ( -0.549 15.009 0.000) 15.019 6.526 ( 0.549 15.009 0.000) 15.019 7.184 ( -2.253 6.523 0.000) 6.901 7.184 ( 2.253 6.523 0.000) 6.901 7.245 ( -0.951 -3.864 0.000) 3.980 7.245 ( 0.951 -3.864 0.000) 3.980 7.359 ( -3.163 -2.967 0.000) 4.336 7.359 ( 3.163 -2.967 0.000) 4.336 7.765 ( -0.496 -5.230 0.000) 5.253 7.765 ( 0.496 -5.230 0.000) 5.253 8.048 ( -15.106 9.092 0.000) 17.631 8.048 ( 15.106 9.092 0.000) 17.631 8.352 ( -9.672 4.162 0.000) 10.529 8.352 ( 9.672 4.162 0.000) 10.529 8.558 ( -2.383 24.336 0.000) 24.453 8.558 ( 2.383 24.336 0.000) 24.453 8.925 ( -7.852 -0.423 0.000) 7.863 8.925 ( 7.852 -0.423 0.000) 7.863 9.187 ( -9.374 13.181 0.000) 16.174 9.187 ( 9.374 13.181 0.000) 16.174 9.448 ( -13.150 3.954 0.000) 13.732 9.448 ( 13.150 3.954 0.000) 13.732 9.987 ( -0.679 3.310 0.000) 3.379 9.987 ( 0.679 3.310 0.000) 3.379 10.686 ( -5.595 -8.490 0.000) 10.168 10.686 ( 5.595 -8.490 0.000) 10.168 10.724 ( -4.801 29.757 0.000) 30.142 10.724 ( 4.801 29.757 0.000) 30.142 10.867 ( -24.290 16.012 0.000) 29.093 10.867 ( 24.290 16.012 0.000) 29.093 11.265 ( -21.273 7.120 0.000) 22.433 11.265 ( 21.273 7.120 0.000) 22.433 11.573 ( -3.300 6.099 0.000) 6.934 11.573 ( 3.300 6.099 0.000) 6.934 11.828 ( -3.553 13.210 0.000) 13.679 11.828 ( 3.553 13.210 0.000) 13.679 12.039 ( -1.892 8.498 0.000) 8.706 12.039 ( 1.892 8.498 0.000) 8.706 12.631 ( -0.547 -6.098 0.000) 6.123 12.631 ( 0.547 -6.098 0.000) 6.123 12.715 ( -6.634 8.762 0.000) 10.990 12.715 ( 6.634 8.762 0.000) 10.990 13.142 ( -0.556 -15.278 0.000) 15.289 13.142 ( 0.556 -15.278 0.000) 15.289 13.496 ( -4.953 -7.586 0.000) 9.060 13.496 ( 4.953 -7.586 0.000) 9.060 14.217 ( -4.664 10.283 0.000) 11.291 14.217 ( 4.664 10.283 0.000) 11.291 14.711 ( -2.608 9.236 0.000) 9.597 14.711 ( 2.608 9.236 0.000) 9.597 15.138 ( -3.997 -5.778 0.000) 7.026 15.138 ( 3.997 -5.778 0.000) 7.026 15.851 ( -2.772 -13.912 0.000) 14.185 15.851 ( 2.772 -13.912 0.000) 14.185 16.526 ( -5.286 3.430 0.000) 6.302 16.526 ( 5.286 3.430 0.000) 6.302 16.905 ( -5.493 5.686 0.000) 7.906 16.905 ( 5.493 5.686 0.000) 7.906 17.286 ( -12.291 -14.062 0.000) 18.676 17.286 ( 12.291 -14.062 0.000) 18.676 17.505 ( -5.767 -11.062 0.000) 12.475 17.505 ( 5.767 -11.062 0.000) 12.475 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 18.357 0.000) 18.357 1.892 ( 0.000 17.434 0.000) 17.434 1.953 ( 0.000 -1.402 0.000) 1.402 2.122 ( 0.000 -5.677 0.000) 5.677 2.162 ( 0.000 1.784 0.000) 1.784 2.340 ( 0.000 -14.309 0.000) 14.309 2.403 ( 0.000 1.244 0.000) 1.244 2.449 ( 0.000 0.573 0.000) 0.573 2.483 ( 0.000 -7.644 0.000) 7.644 2.518 ( 0.000 -6.267 0.000) 6.267 2.619 ( 0.000 3.959 0.000) 3.959 2.721 ( 0.000 -5.121 0.000) 5.121 2.904 ( 0.000 1.449 0.000) 1.449 2.916 ( 0.000 0.066 0.000) 0.066 2.972 ( 0.000 2.437 0.000) 2.437 3.109 ( 0.000 -9.593 0.000) 9.593 3.460 ( 0.000 9.035 0.000) 9.035 3.486 ( 0.000 2.803 0.000) 2.803 3.504 ( 0.000 2.965 0.000) 2.965 3.539 ( 0.000 3.924 0.000) 3.924 3.540 ( 0.000 0.785 0.000) 0.785 3.583 ( 0.000 -3.088 0.000) 3.088 3.658 ( 0.000 -1.144 0.000) 1.144 3.673 ( 0.000 0.265 0.000) 0.265 3.689 ( 0.000 -3.935 0.000) 3.935 3.699 ( 0.000 -1.909 0.000) 1.909 4.159 ( 0.000 1.439 0.000) 1.439 4.223 ( 0.000 -3.415 0.000) 3.415 4.301 ( 0.000 27.745 0.000) 27.745 4.425 ( 0.000 5.102 0.000) 5.102 4.445 ( 0.000 5.068 0.000) 5.068 4.501 ( 0.000 0.023 0.000) 0.023 4.557 ( 0.000 -6.110 0.000) 6.110 4.734 ( 0.000 -13.442 0.000) 13.442 5.153 ( 0.000 2.014 0.000) 2.014 5.190 ( 0.000 -1.796 0.000) 1.796 5.286 ( 0.000 5.797 0.000) 5.797 5.315 ( 0.000 7.083 0.000) 7.083 5.396 ( 0.000 -3.220 0.000) 3.220 5.418 ( 0.000 1.762 0.000) 1.762 5.447 ( 0.000 3.357 0.000) 3.357 5.471 ( 0.000 1.253 0.000) 1.253 5.522 ( 0.000 -3.296 0.000) 3.296 5.569 ( 0.000 -12.744 0.000) 12.744 6.622 ( 0.000 14.943 0.000) 14.943 6.651 ( 0.000 11.605 0.000) 11.605 6.685 ( 0.000 5.923 0.000) 5.923 6.770 ( 0.000 0.793 0.000) 0.793 7.210 ( 0.000 2.284 0.000) 2.284 7.267 ( 0.000 7.946 0.000) 7.946 7.286 ( 0.000 -0.874 0.000) 0.874 7.318 ( 0.000 -1.367 0.000) 1.367 7.332 ( 0.000 -1.781 0.000) 1.781 7.555 ( 0.000 -12.335 0.000) 12.335 7.574 ( 0.000 4.119 0.000) 4.119 7.696 ( 0.000 -7.083 0.000) 7.083 7.910 ( 0.000 12.677 0.000) 12.677 8.090 ( 0.000 -5.055 0.000) 5.055 8.522 ( 0.000 4.853 0.000) 4.853 8.593 ( 0.000 -1.836 0.000) 1.836 8.705 ( 0.000 1.362 0.000) 1.362 8.705 ( 0.000 1.303 0.000) 1.303 8.744 ( 0.000 5.177 0.000) 5.177 8.874 ( 0.000 -8.139 0.000) 8.139 9.136 ( 0.000 13.672 0.000) 13.672 9.325 ( 0.000 -5.156 0.000) 5.156 9.563 ( 0.000 22.840 0.000) 22.840 9.908 ( 0.000 -12.054 0.000) 12.054 9.909 ( 0.000 5.109 0.000) 5.109 10.036 ( 0.000 -3.882 0.000) 3.882 10.357 ( 0.000 13.407 0.000) 13.407 10.382 ( 0.000 13.002 0.000) 13.002 10.509 ( 0.000 0.270 0.000) 0.270 10.638 ( 0.000 -11.190 0.000) 11.190 11.416 ( 0.000 23.239 0.000) 23.239 11.446 ( 0.000 10.634 0.000) 10.634 11.497 ( 0.000 9.855 0.000) 9.855 11.635 ( 0.000 0.835 0.000) 0.835 11.752 ( 0.000 6.698 0.000) 6.698 11.980 ( 0.000 -4.395 0.000) 4.395 12.138 ( 0.000 7.592 0.000) 7.592 12.250 ( 0.000 7.988 0.000) 7.988 12.307 ( 0.000 -2.923 0.000) 2.923 12.374 ( 0.000 -15.562 0.000) 15.562 12.413 ( 0.000 21.925 0.000) 21.925 12.489 ( 0.000 5.110 0.000) 5.110 12.694 ( 0.000 17.481 0.000) 17.481 12.806 ( 0.000 -9.947 0.000) 9.947 12.820 ( 0.000 -17.960 0.000) 17.960 13.124 ( 0.000 9.789 0.000) 9.789 13.168 ( 0.000 -15.082 0.000) 15.082 13.350 ( 0.000 -12.490 0.000) 12.490 14.514 ( 0.000 4.029 0.000) 4.029 14.655 ( 0.000 -10.991 0.000) 10.991 14.672 ( 0.000 24.048 0.000) 24.048 14.790 ( 0.000 6.510 0.000) 6.510 15.074 ( 0.000 -4.803 0.000) 4.803 15.300 ( 0.000 19.832 0.000) 19.832 15.347 ( 0.000 -26.251 0.000) 26.251 15.573 ( 0.000 -5.873 0.000) 5.873 16.401 ( 0.000 -5.207 0.000) 5.207 16.495 ( 0.000 -13.098 0.000) 13.098 16.918 ( 0.000 14.254 0.000) 14.254 17.059 ( 0.000 5.243 0.000) 5.243 17.118 ( 0.000 -0.344 0.000) 0.344 17.151 ( 0.000 -3.368 0.000) 3.368 17.349 ( 0.000 -9.527 0.000) 9.527 17.403 ( 0.000 -9.920 0.000) 9.920 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 11.214 12.547 0.000) 16.828 1.922 ( 2.538 14.531 0.000) 14.751 1.976 ( 1.435 1.933 0.000) 2.408 2.110 ( -0.989 -4.920 0.000) 5.019 2.163 ( 0.986 2.739 0.000) 2.912 2.331 ( 1.937 -9.351 0.000) 9.549 2.469 ( 1.666 2.660 0.000) 3.139 2.483 ( 5.472 -0.542 0.000) 5.499 2.529 ( -7.513 5.323 0.000) 9.208 2.568 ( 7.080 -8.849 0.000) 11.332 2.572 ( 3.923 -6.875 0.000) 7.915 2.660 ( -5.945 -7.118 0.000) 9.274 2.804 ( -6.812 3.736 0.000) 7.769 2.866 ( -8.525 3.540 0.000) 9.231 2.893 ( -3.341 -4.660 0.000) 5.734 3.020 ( -7.399 -10.100 0.000) 12.521 3.422 ( -2.219 6.128 0.000) 6.517 3.465 ( -0.374 9.031 0.000) 9.039 3.491 ( -0.476 -1.270 0.000) 1.356 3.538 ( -3.700 8.264 0.000) 9.054 3.559 ( 1.175 1.987 0.000) 2.309 3.581 ( -0.435 -4.001 0.000) 4.024 3.654 ( 1.030 -5.925 0.000) 6.014 3.728 ( -1.008 -8.630 0.000) 8.689 3.730 ( 9.007 2.038 0.000) 9.234 3.780 ( 6.997 -1.971 0.000) 7.270 4.090 ( -7.924 2.239 0.000) 8.234 4.111 ( -5.628 -1.322 0.000) 5.781 4.283 ( -4.036 13.963 0.000) 14.535 4.295 ( -0.691 27.314 0.000) 27.323 4.503 ( 3.801 -5.033 0.000) 6.307 4.695 ( 14.224 3.842 0.000) 14.734 4.710 ( -2.696 -12.133 0.000) 12.428 4.794 ( 14.955 -5.919 0.000) 16.084 5.176 ( 2.055 2.639 0.000) 3.345 5.215 ( -7.879 5.504 0.000) 9.611 5.224 ( 2.856 -2.055 0.000) 3.519 5.262 ( -5.700 2.272 0.000) 6.136 5.309 ( -3.618 1.442 0.000) 3.895 5.370 ( -5.503 -4.744 0.000) 7.266 5.453 ( 0.734 4.360 0.000) 4.422 5.481 ( 0.656 3.661 0.000) 3.720 5.550 ( 2.233 -5.207 0.000) 5.666 5.594 ( 1.083 -9.707 0.000) 9.767 6.598 ( -1.521 14.642 0.000) 14.721 6.628 ( -1.924 12.557 0.000) 12.704 6.698 ( 0.821 4.651 0.000) 4.723 6.742 ( -2.062 0.967 0.000) 2.277 7.201 ( -0.512 1.271 0.000) 1.370 7.242 ( -3.156 0.097 0.000) 3.157 7.272 ( -1.226 -4.271 0.000) 4.443 7.300 ( -1.860 -2.994 0.000) 3.525 7.314 ( 1.306 11.542 0.000) 11.616 7.496 ( -5.946 6.530 0.000) 8.832 7.567 ( 1.147 -11.954 0.000) 12.009 7.653 ( -2.873 -8.048 0.000) 8.545 8.011 ( 8.581 11.119 0.000) 14.045 8.174 ( 7.084 -4.903 0.000) 8.615 8.483 ( -9.828 3.185 0.000) 10.331 8.511 ( -5.925 0.139 0.000) 5.927 8.757 ( 4.361 3.242 0.000) 5.434 8.773 ( 5.852 0.514 0.000) 5.875 8.817 ( 6.217 6.691 0.000) 9.133 8.949 ( 3.255 -6.109 0.000) 6.922 9.188 ( 8.316 11.917 0.000) 14.532 9.317 ( 3.637 -2.247 0.000) 4.275 9.544 ( -2.141 18.905 0.000) 19.026 9.823 ( -9.020 -8.915 0.000) 12.682 9.998 ( 5.934 7.182 0.000) 9.316 10.190 ( 11.291 -10.589 0.000) 15.479 10.250 ( -8.693 16.918 0.000) 19.021 10.535 ( -1.128 -9.752 0.000) 9.817 10.563 ( 20.839 12.585 0.000) 24.344 10.781 ( 14.554 -7.570 0.000) 16.405 11.347 ( -5.789 18.099 0.000) 19.002 11.404 ( -0.905 23.454 0.000) 23.471 11.548 ( 0.103 8.299 0.000) 8.300 11.636 ( -13.387 1.891 0.000) 13.520 11.639 ( 0.346 -0.070 0.000) 0.354 11.866 ( -15.041 -5.413 0.000) 15.985 12.083 ( -5.822 15.116 0.000) 16.198 12.139 ( -0.094 6.042 0.000) 6.042 12.252 ( -6.453 -1.541 0.000) 6.634 12.257 ( -6.878 4.615 0.000) 8.283 12.463 ( 2.533 6.241 0.000) 6.736 12.485 ( 2.856 3.504 0.000) 4.521 12.769 ( 2.300 -14.213 0.000) 14.397 12.812 ( -0.718 -18.287 0.000) 18.301 12.838 ( 4.402 12.586 0.000) 13.334 13.073 ( -4.723 11.208 0.000) 12.162 13.199 ( 2.469 -15.846 0.000) 16.037 13.323 ( -2.512 -13.513 0.000) 13.745 14.490 ( -0.534 10.160 0.000) 10.174 14.604 ( -4.729 21.084 0.000) 21.608 14.710 ( 3.876 -10.613 0.000) 11.299 14.815 ( 0.417 2.849 0.000) 2.879 15.082 ( 1.479 0.437 0.000) 1.543 15.238 ( -4.651 17.279 0.000) 17.894 15.391 ( 3.856 -24.304 0.000) 24.608 15.565 ( -2.091 -13.560 0.000) 13.721 16.460 ( 8.571 5.562 0.000) 10.218 16.689 ( 14.299 -15.683 0.000) 21.223 16.884 ( -4.606 13.848 0.000) 14.594 17.040 ( -1.215 6.222 0.000) 6.340 17.083 ( -1.824 4.259 0.000) 4.633 17.203 ( 3.385 -7.633 0.000) 8.350 17.253 ( -8.776 -9.057 0.000) 12.611 17.359 ( -3.797 -11.935 0.000) 12.524 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -1.618 8.242 0.000) 8.400 1.971 ( 1.618 8.242 0.000) 8.400 2.077 ( -3.184 -2.698 0.000) 4.173 2.077 ( 3.184 -2.698 0.000) 4.173 2.296 ( -12.584 9.074 0.000) 15.514 2.296 ( 12.584 9.074 0.000) 15.514 2.439 ( -7.083 -3.444 0.000) 7.876 2.439 ( 7.083 -3.444 0.000) 7.876 2.569 ( -1.215 -1.059 0.000) 1.612 2.569 ( 1.215 -1.059 0.000) 1.612 2.665 ( -2.663 -6.404 0.000) 6.936 2.665 ( 2.663 -6.404 0.000) 6.936 2.720 ( -3.537 2.598 0.000) 4.389 2.720 ( 3.537 2.598 0.000) 4.389 2.870 ( -4.518 -10.343 0.000) 11.286 2.870 ( 4.518 -10.343 0.000) 11.286 3.422 ( -2.071 9.616 0.000) 9.836 3.422 ( 2.071 9.616 0.000) 9.836 3.494 ( -0.643 0.394 0.000) 0.754 3.494 ( 0.643 0.394 0.000) 0.754 3.582 ( -0.737 -0.002 0.000) 0.737 3.582 ( 0.737 -0.002 0.000) 0.737 3.681 ( -2.121 -7.417 0.000) 7.714 3.681 ( 2.121 -7.417 0.000) 7.714 3.924 ( -9.045 0.727 0.000) 9.074 3.924 ( 9.045 0.727 0.000) 9.074 3.948 ( -8.891 -1.988 0.000) 9.110 3.948 ( 8.891 -1.988 0.000) 9.110 4.271 ( -1.337 24.598 0.000) 24.634 4.271 ( 1.337 24.598 0.000) 24.634 4.617 ( -6.048 -8.522 0.000) 10.450 4.617 ( 6.048 -8.522 0.000) 10.450 4.984 ( -13.406 3.357 0.000) 13.819 4.984 ( 13.406 3.357 0.000) 13.819 5.084 ( -12.376 -5.139 0.000) 13.400 5.084 ( 12.376 -5.139 0.000) 13.400 5.229 ( -3.169 3.423 0.000) 4.664 5.229 ( 3.169 3.423 0.000) 4.664 5.288 ( -3.190 -2.373 0.000) 3.976 5.288 ( 3.190 -2.373 0.000) 3.976 5.474 ( -1.020 4.783 0.000) 4.890 5.474 ( 1.020 4.783 0.000) 4.890 5.591 ( -1.332 -7.794 0.000) 7.907 5.591 ( 1.332 -7.794 0.000) 7.907 6.591 ( -1.067 13.941 0.000) 13.982 6.591 ( 1.067 13.941 0.000) 13.982 6.712 ( -0.758 2.184 0.000) 2.312 6.712 ( 0.758 2.184 0.000) 2.312 7.198 ( -0.687 0.519 0.000) 0.861 7.198 ( 0.687 0.519 0.000) 0.861 7.262 ( -1.096 -4.181 0.000) 4.322 7.262 ( 1.096 -4.181 0.000) 4.322 7.383 ( -4.658 10.525 0.000) 11.510 7.383 ( 4.658 10.525 0.000) 11.510 7.601 ( -2.154 -10.496 0.000) 10.715 7.601 ( 2.154 -10.496 0.000) 10.715 8.232 ( -12.598 8.204 0.000) 15.033 8.232 ( 12.598 8.204 0.000) 15.033 8.345 ( -9.073 -3.180 0.000) 9.614 8.345 ( 9.073 -3.180 0.000) 9.614 8.841 ( -2.859 5.990 0.000) 6.637 8.841 ( 2.859 5.990 0.000) 6.637 8.904 ( -5.865 -1.758 0.000) 6.123 8.904 ( 5.865 -1.758 0.000) 6.123 9.450 ( -8.216 9.573 0.000) 12.615 9.450 ( 8.216 9.573 0.000) 12.615 9.530 ( -17.659 1.762 0.000) 17.747 9.530 ( 17.659 1.762 0.000) 17.747 10.104 ( -5.416 12.251 0.000) 13.395 10.104 ( 5.416 12.251 0.000) 13.395 10.419 ( -9.701 -16.575 0.000) 19.205 10.419 ( 9.701 -16.575 0.000) 19.205 11.100 ( -25.791 10.130 0.000) 27.709 11.100 ( 25.791 10.130 0.000) 27.709 11.200 ( -22.952 3.558 0.000) 23.226 11.200 ( 22.952 3.558 0.000) 23.226 11.424 ( -6.009 17.264 0.000) 18.280 11.424 ( 6.009 17.264 0.000) 18.280 11.652 ( -1.624 -1.404 0.000) 2.146 11.652 ( 1.624 -1.404 0.000) 2.146 12.099 ( -4.187 9.100 0.000) 10.017 12.099 ( 4.187 9.100 0.000) 10.017 12.177 ( -0.686 3.605 0.000) 3.670 12.177 ( 0.686 3.605 0.000) 3.670 12.508 ( -0.730 2.157 0.000) 2.278 12.508 ( 0.730 2.157 0.000) 2.278 12.795 ( -0.904 -19.160 0.000) 19.181 12.795 ( 0.904 -19.160 0.000) 19.181 12.954 ( -6.242 14.438 0.000) 15.729 12.954 ( 6.242 14.438 0.000) 15.729 13.259 ( -3.355 -15.316 0.000) 15.680 13.259 ( 3.355 -15.316 0.000) 15.680 14.519 ( -3.143 17.481 0.000) 17.761 14.519 ( 3.143 17.481 0.000) 17.761 14.784 ( -2.999 -6.574 0.000) 7.225 14.784 ( 2.999 -6.574 0.000) 7.225 15.144 ( -4.200 10.832 0.000) 11.618 15.144 ( 4.200 10.832 0.000) 11.618 15.485 ( -4.897 -20.714 0.000) 21.285 15.485 ( 4.897 -20.714 0.000) 21.285 16.700 ( -12.370 12.845 0.000) 17.833 16.700 ( 12.370 12.845 0.000) 17.833 16.984 ( -11.259 -14.149 0.000) 18.082 16.984 ( 11.259 -14.149 0.000) 18.082 17.065 ( -2.136 8.359 0.000) 8.627 17.065 ( 2.136 8.359 0.000) 8.627 17.277 ( -3.864 -11.737 0.000) 12.357 17.277 ( 3.864 -11.737 0.000) 12.357 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 0.000 25.551) 25.551 0.665 ( 0.000 0.000 31.783) 31.783 1.039 ( 0.000 0.000 49.849) 49.849 1.710 ( 0.000 0.000 6.983) 6.983 1.886 ( 0.000 0.000 3.917) 3.917 1.909 ( 0.000 0.000 8.304) 8.304 2.208 ( 0.000 0.000 1.815) 1.815 2.326 ( 0.000 0.000 2.368) 2.368 2.500 ( 0.000 0.000 -7.755) 7.755 2.677 ( 0.000 0.000 -2.936) 2.936 2.688 ( 0.000 0.000 -7.549) 7.549 2.888 ( 0.000 0.000 -3.756) 3.756 2.935 ( 0.000 0.000 1.480) 1.480 2.981 ( 0.000 0.000 -2.458) 2.458 3.036 ( 0.000 0.000 -2.987) 2.987 3.072 ( 0.000 0.000 -6.216) 6.216 3.175 ( 0.000 0.000 -7.100) 7.100 3.189 ( 0.000 0.000 -2.801) 2.801 3.346 ( 0.000 0.000 -0.757) 0.757 3.414 ( 0.000 0.000 -1.949) 1.949 3.443 ( 0.000 0.000 -6.990) 6.990 3.559 ( 0.000 0.000 4.224) 4.224 3.678 ( 0.000 0.000 1.341) 1.341 3.745 ( 0.000 0.000 4.754) 4.754 3.752 ( 0.000 0.000 7.661) 7.661 3.994 ( 0.000 0.000 -0.646) 0.646 4.014 ( 0.000 0.000 -1.065) 1.065 4.104 ( 0.000 0.000 11.869) 11.869 4.141 ( 0.000 0.000 0.551) 0.551 4.176 ( 0.000 0.000 -2.323) 2.323 4.237 ( 0.000 0.000 0.786) 0.786 4.306 ( 0.000 0.000 7.483) 7.483 4.443 ( 0.000 0.000 -2.995) 2.995 4.585 ( 0.000 0.000 -3.961) 3.961 4.643 ( 0.000 0.000 -1.817) 1.817 4.666 ( 0.000 0.000 3.178) 3.178 4.760 ( 0.000 0.000 1.840) 1.840 4.824 ( 0.000 0.000 -1.493) 1.493 5.077 ( 0.000 0.000 -4.395) 4.395 5.115 ( 0.000 0.000 -3.852) 3.852 5.294 ( 0.000 0.000 4.109) 4.109 5.400 ( 0.000 0.000 -0.964) 0.964 5.535 ( 0.000 0.000 4.498) 4.498 5.599 ( 0.000 0.000 -3.971) 3.971 5.646 ( 0.000 0.000 0.249) 0.249 5.689 ( 0.000 0.000 -0.324) 0.324 5.972 ( 0.000 0.000 -10.669) 10.669 6.076 ( 0.000 0.000 13.358) 13.358 6.242 ( 0.000 0.000 0.497) 0.497 6.743 ( 0.000 0.000 9.038) 9.038 6.789 ( 0.000 0.000 0.342) 0.342 7.060 ( 0.000 0.000 -2.063) 2.063 7.165 ( 0.000 0.000 -1.567) 1.567 7.331 ( 0.000 0.000 -3.586) 3.586 7.473 ( 0.000 0.000 -5.463) 5.463 7.793 ( 0.000 0.000 10.397) 10.397 7.844 ( 0.000 0.000 -5.427) 5.427 7.980 ( 0.000 0.000 -7.633) 7.633 8.012 ( 0.000 0.000 -11.826) 11.826 8.079 ( 0.000 0.000 1.789) 1.789 8.246 ( 0.000 0.000 0.590) 0.590 8.285 ( 0.000 0.000 1.203) 1.203 8.525 ( 0.000 0.000 6.606) 6.606 8.623 ( 0.000 0.000 7.284) 7.284 8.753 ( 0.000 0.000 11.329) 11.329 8.842 ( 0.000 0.000 -1.868) 1.868 9.071 ( 0.000 0.000 0.143) 0.143 9.186 ( 0.000 0.000 -12.970) 12.970 9.202 ( 0.000 0.000 0.764) 0.764 9.547 ( 0.000 0.000 -6.099) 6.099 10.142 ( 0.000 0.000 -8.254) 8.254 10.311 ( 0.000 0.000 -6.788) 6.788 10.396 ( 0.000 0.000 4.704) 4.704 10.470 ( 0.000 0.000 -8.041) 8.041 10.535 ( 0.000 0.000 -0.359) 0.359 10.628 ( 0.000 0.000 8.707) 8.707 10.633 ( 0.000 0.000 2.027) 2.027 10.728 ( 0.000 0.000 5.130) 5.130 11.261 ( 0.000 0.000 0.404) 0.404 11.411 ( 0.000 0.000 -0.571) 0.571 11.471 ( 0.000 0.000 -7.822) 7.822 11.552 ( 0.000 0.000 -2.481) 2.481 11.571 ( 0.000 0.000 -20.899) 20.899 11.678 ( 0.000 0.000 -5.875) 5.875 12.513 ( 0.000 0.000 13.775) 13.775 12.579 ( 0.000 0.000 8.213) 8.213 12.808 ( 0.000 0.000 12.000) 12.000 12.941 ( 0.000 0.000 -0.974) 0.974 12.993 ( 0.000 0.000 -1.564) 1.564 13.480 ( 0.000 0.000 1.741) 1.741 13.516 ( 0.000 0.000 0.460) 0.460 13.845 ( 0.000 0.000 4.899) 4.899 13.932 ( 0.000 0.000 2.868) 2.868 14.333 ( 0.000 0.000 -1.712) 1.712 14.420 ( 0.000 0.000 -2.012) 2.012 14.854 ( 0.000 0.000 9.159) 9.159 15.082 ( 0.000 0.000 -6.155) 6.155 15.424 ( 0.000 0.000 -25.872) 25.872 15.580 ( 0.000 0.000 -2.447) 2.447 15.819 ( 0.000 0.000 3.788) 3.788 16.503 ( 0.000 0.000 -0.303) 0.303 16.527 ( 0.000 0.000 4.388) 4.388 17.054 ( 0.000 0.000 5.997) 5.997 17.384 ( 0.000 0.000 -0.816) 0.816 17.510 ( 0.000 0.000 -1.193) 1.193 17.909 ( 0.000 0.000 -3.886) 3.886 17.956 ( 0.000 0.000 5.784) 5.784 18.123 ( 0.000 0.000 5.745) 5.745 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 13.971 0.000 18.885) 23.491 0.775 ( 19.252 0.000 18.228) 26.512 1.404 ( -18.243 0.000 8.271) 20.030 1.552 ( 28.749 0.000 31.180) 42.411 1.762 ( -7.443 0.000 9.663) 12.197 2.181 ( 16.956 0.000 2.108) 17.086 2.223 ( 1.504 0.000 0.782) 1.695 2.323 ( -0.259 0.000 3.362) 3.372 2.522 ( 1.975 0.000 -7.663) 7.914 2.646 ( -0.045 0.000 -4.152) 4.152 2.764 ( -8.099 0.000 -4.405) 9.219 2.766 ( 1.770 0.000 -7.363) 7.572 2.857 ( -8.992 0.000 1.149) 9.065 2.882 ( -2.380 0.000 -0.315) 2.401 2.950 ( -8.519 0.000 -4.170) 9.485 3.061 ( -4.408 0.000 1.244) 4.580 3.184 ( 8.210 0.000 -4.618) 9.419 3.200 ( -4.588 0.000 0.985) 4.693 3.362 ( -3.808 0.000 1.006) 3.938 3.397 ( -2.916 0.000 -5.185) 5.949 3.489 ( 6.095 0.000 -2.834) 6.722 3.548 ( -0.354 0.000 4.910) 4.923 3.562 ( -19.294 0.000 12.243) 22.851 3.678 ( -5.459 0.000 6.958) 8.844 3.681 ( -0.955 0.000 3.372) 3.504 3.882 ( -7.265 0.000 -2.244) 7.603 3.882 ( 9.891 0.000 2.053) 10.102 4.091 ( 1.353 0.000 0.104) 1.357 4.114 ( -2.159 0.000 -0.353) 2.188 4.200 ( -2.092 0.000 1.663) 2.672 4.229 ( 2.495 0.000 -2.014) 3.206 4.407 ( -3.241 0.000 -2.365) 4.012 4.461 ( 0.145 0.000 1.855) 1.861 4.609 ( -3.400 0.000 -3.773) 5.079 4.679 ( 2.949 0.000 -2.292) 3.735 4.749 ( 11.469 0.000 4.142) 12.194 4.803 ( -2.048 0.000 -1.660) 2.636 4.946 ( 14.262 0.000 1.993) 14.401 5.036 ( -3.422 0.000 -2.622) 4.311 5.174 ( 3.947 0.000 -4.370) 5.889 5.300 ( 3.505 0.000 3.711) 5.105 5.404 ( 0.605 0.000 -0.194) 0.635 5.485 ( -3.171 0.000 3.349) 4.612 5.578 ( -2.807 0.000 -4.862) 5.614 5.660 ( -1.625 0.000 0.134) 1.631 5.708 ( 0.450 0.000 -3.629) 3.657 6.025 ( 3.553 0.000 -2.558) 4.378 6.097 ( 0.845 0.000 3.408) 3.511 6.347 ( 9.794 0.000 2.487) 10.105 6.666 ( -3.027 0.000 1.336) 3.309 7.019 ( 16.499 0.000 5.239) 17.311 7.056 ( -0.121 0.000 -1.957) 1.961 7.126 ( -3.100 0.000 -1.347) 3.380 7.369 ( 2.882 0.000 -3.988) 4.920 7.457 ( -1.240 0.000 -4.867) 5.023 7.625 ( -11.994 0.000 9.462) 15.277 7.691 ( -10.427 0.000 -2.027) 10.622 7.904 ( -12.740 0.000 -8.654) 15.401 7.997 ( 2.015 0.000 -4.273) 4.725 8.111 ( -0.122 0.000 0.796) 0.805 8.170 ( -0.317 0.000 4.307) 4.318 8.290 ( -1.293 0.000 -7.613) 7.722 8.622 ( 7.268 0.000 6.025) 9.441 8.696 ( 7.503 0.000 2.775) 7.999 8.915 ( 8.866 0.000 5.553) 10.461 8.943 ( 6.220 0.000 0.302) 6.227 9.059 ( -1.806 0.000 -1.337) 2.247 9.139 ( -1.734 0.000 -4.401) 4.730 9.205 ( -1.366 0.000 -4.920) 5.107 9.300 ( -13.996 0.000 4.610) 14.736 9.950 ( -3.859 0.000 -2.035) 4.363 10.145 ( -6.953 0.000 -0.383) 6.964 10.314 ( -13.669 0.000 7.024) 15.368 10.322 ( -12.318 0.000 -1.090) 12.367 10.667 ( 12.113 0.000 -2.174) 12.307 10.731 ( 14.577 0.000 -7.262) 16.286 10.820 ( 14.042 0.000 -2.608) 14.282 10.899 ( 5.581 0.000 4.547) 7.199 11.280 ( 1.405 0.000 -0.306) 1.438 11.307 ( -11.175 0.000 -6.771) 13.066 11.374 ( -2.947 0.000 -0.708) 3.031 11.490 ( -9.279 0.000 -16.696) 19.101 11.573 ( 1.599 0.000 -2.359) 2.849 11.653 ( -2.137 0.000 -4.894) 5.340 12.565 ( 1.282 0.000 13.111) 13.174 12.625 ( 0.614 0.000 13.944) 13.958 12.919 ( -0.492 0.000 -0.619) 0.791 12.990 ( -1.285 0.000 0.338) 1.329 13.206 ( 20.301 0.000 -15.036) 25.263 13.495 ( -0.177 0.000 -1.120) 1.134 13.537 ( 3.243 0.000 2.000) 3.810 13.761 ( -6.423 0.000 4.482) 7.832 14.007 ( 6.613 0.000 1.426) 6.765 14.287 ( -4.430 0.000 -1.457) 4.664 14.501 ( 7.067 0.000 5.888) 9.199 14.823 ( -4.559 0.000 8.612) 9.744 15.038 ( 0.229 0.000 -9.668) 9.671 15.293 ( -8.750 0.000 -21.494) 23.207 15.672 ( 5.469 0.000 -5.313) 7.625 15.821 ( -1.165 0.000 -0.189) 1.181 16.595 ( 6.112 0.000 4.475) 7.575 16.643 ( 7.238 0.000 -8.131) 10.886 17.039 ( -0.672 0.000 7.354) 7.385 17.290 ( -8.935 0.000 2.624) 9.312 17.589 ( 5.198 0.000 -1.999) 5.569 17.741 ( -5.801 0.000 3.101) 6.578 17.999 ( 0.627 0.000 5.612) 5.647 18.066 ( -3.131 0.000 8.529) 9.086 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -17.852 0.000 11.894) 21.451 1.032 ( 17.852 0.000 11.894) 21.451 1.276 ( -25.296 0.000 6.071) 26.015 1.276 ( 25.296 0.000 6.071) 26.015 2.220 ( -7.709 0.000 4.820) 9.092 2.220 ( 7.709 0.000 4.820) 9.092 2.462 ( -25.258 0.000 14.334) 29.042 2.462 ( 25.258 0.000 14.334) 29.042 2.485 ( -10.474 0.000 -4.656) 11.462 2.485 ( 10.474 0.000 -4.656) 11.462 2.684 ( -4.425 0.000 0.350) 4.439 2.684 ( 4.425 0.000 0.350) 4.439 2.737 ( -0.762 0.000 -3.197) 3.286 2.737 ( 0.762 0.000 -3.197) 3.286 2.935 ( -5.792 0.000 -1.721) 6.042 2.935 ( 5.792 0.000 -1.721) 6.042 3.167 ( -5.256 0.000 3.019) 6.061 3.167 ( 5.256 0.000 3.019) 6.061 3.323 ( -5.057 0.000 -5.488) 7.463 3.323 ( 5.057 0.000 -5.488) 7.463 3.555 ( -4.304 0.000 -0.438) 4.326 3.555 ( 4.304 0.000 -0.438) 4.326 3.576 ( -3.538 0.000 6.626) 7.511 3.576 ( 3.538 0.000 6.626) 7.511 3.721 ( -7.640 0.000 -0.883) 7.691 3.721 ( 7.640 0.000 -0.883) 7.691 4.080 ( -8.441 0.000 0.879) 8.486 4.080 ( 8.441 0.000 0.879) 8.486 4.093 ( -0.273 0.000 0.612) 0.670 4.093 ( 0.273 0.000 0.612) 0.670 4.319 ( -4.946 0.000 -1.144) 5.077 4.319 ( 4.946 0.000 -1.144) 5.077 4.511 ( -4.588 0.000 -0.077) 4.589 4.511 ( 4.588 0.000 -0.077) 4.589 4.746 ( -3.304 0.000 -2.289) 4.020 4.746 ( 3.304 0.000 -2.289) 4.020 4.932 ( -6.736 0.000 -0.454) 6.751 4.932 ( 6.736 0.000 -0.454) 6.751 5.168 ( -5.645 0.000 -1.735) 5.906 5.168 ( 5.645 0.000 -1.735) 5.906 5.432 ( -2.058 0.000 1.750) 2.701 5.432 ( 2.058 0.000 1.750) 2.701 5.454 ( -8.976 0.000 -0.808) 9.012 5.454 ( 8.976 0.000 -0.808) 9.012 5.668 ( -2.381 0.000 -1.756) 2.958 5.668 ( 2.381 0.000 -1.756) 2.958 6.086 ( -1.992 0.000 0.085) 1.994 6.086 ( 1.992 0.000 0.085) 1.994 6.560 ( -8.697 0.000 0.796) 8.733 6.560 ( 8.697 0.000 0.796) 8.733 7.071 ( -1.812 0.000 -1.462) 2.328 7.071 ( 1.812 0.000 -1.462) 2.328 7.376 ( -14.851 0.000 8.256) 16.992 7.376 ( 14.851 0.000 8.256) 16.992 7.423 ( -2.188 0.000 -4.515) 5.018 7.423 ( 2.188 0.000 -4.515) 5.018 7.619 ( -8.195 0.000 -4.549) 9.373 7.619 ( 8.195 0.000 -4.549) 9.373 8.056 ( -3.321 0.000 -0.910) 3.443 8.056 ( 3.321 0.000 -0.910) 3.443 8.234 ( -3.818 0.000 -2.304) 4.459 8.234 ( 3.818 0.000 -2.304) 4.459 8.763 ( -3.866 0.000 4.895) 6.237 8.763 ( 3.866 0.000 4.895) 6.237 9.016 ( -1.885 0.000 -1.978) 2.732 9.016 ( 1.885 0.000 -1.978) 2.732 9.076 ( -8.676 0.000 2.335) 8.985 9.076 ( 8.676 0.000 2.335) 8.985 9.154 ( -2.694 0.000 -3.586) 4.485 9.154 ( 2.694 0.000 -3.586) 4.485 10.059 ( -11.726 0.000 -0.395) 11.733 10.059 ( 11.726 0.000 -0.395) 11.733 10.110 ( -4.461 0.000 3.405) 5.612 10.110 ( 4.461 0.000 3.405) 5.612 10.883 ( -7.028 0.000 -0.589) 7.052 10.883 ( 7.028 0.000 -0.589) 7.052 10.992 ( -9.308 0.000 -6.174) 11.169 10.992 ( 9.308 0.000 -6.174) 11.169 11.224 ( -13.196 0.000 -10.664) 16.966 11.224 ( 13.196 0.000 -10.664) 16.966 11.316 ( -2.377 0.000 -0.775) 2.501 11.316 ( 2.377 0.000 -0.775) 2.501 11.609 ( -1.931 0.000 -2.899) 3.483 11.609 ( 1.931 0.000 -2.899) 3.483 12.604 ( -2.058 0.000 13.111) 13.271 12.604 ( 2.058 0.000 13.111) 13.271 12.944 ( -2.498 0.000 0.894) 2.653 12.944 ( 2.498 0.000 0.894) 2.653 13.443 ( -5.530 0.000 -6.931) 8.867 13.443 ( 5.530 0.000 -6.931) 8.867 13.634 ( -5.613 0.000 3.434) 6.580 13.634 ( 5.613 0.000 3.434) 6.580 14.161 ( -7.485 0.000 -0.504) 7.502 14.161 ( 7.485 0.000 -0.504) 7.502 14.673 ( -8.877 0.000 9.748) 13.184 14.673 ( 8.877 0.000 9.748) 13.184 15.125 ( -7.069 0.000 -18.004) 19.342 15.125 ( 7.069 0.000 -18.004) 19.342 15.768 ( -3.793 0.000 -2.946) 4.802 15.768 ( 3.793 0.000 -2.946) 4.802 16.700 ( -2.052 0.000 -3.687) 4.219 16.700 ( 2.052 0.000 -3.687) 4.219 17.093 ( -7.247 0.000 9.293) 11.785 17.093 ( 7.247 0.000 9.293) 11.785 17.679 ( -3.099 0.000 -2.726) 4.127 17.679 ( 3.099 0.000 -2.726) 4.127 18.016 ( -1.646 0.000 8.505) 8.663 18.016 ( 1.646 0.000 8.505) 8.663 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 11.628 26.049) 28.526 0.927 ( 0.000 18.379 25.034) 31.056 1.443 ( 0.000 42.211 26.076) 49.616 1.914 ( 0.000 6.146 7.127) 9.411 1.958 ( 0.000 14.565 6.404) 15.910 2.060 ( 0.000 13.412 3.874) 13.960 2.205 ( 0.000 -0.233 1.780) 1.795 2.335 ( 0.000 1.824 1.817) 2.575 2.539 ( 0.000 3.727 -6.061) 7.115 2.639 ( 0.000 -1.890 -2.315) 2.988 2.679 ( 0.000 -0.327 -6.240) 6.248 2.894 ( 0.000 -5.031 0.291) 5.040 2.917 ( 0.000 -4.710 -1.226) 4.867 2.973 ( 0.000 -3.782 1.912) 4.238 3.006 ( 0.000 9.139 -2.363) 9.439 3.046 ( 0.000 -2.666 -6.213) 6.761 3.157 ( 0.000 -2.441 -1.992) 3.151 3.165 ( 0.000 -0.894 -7.896) 7.946 3.350 ( 0.000 0.644 -2.751) 2.825 3.361 ( 0.000 -1.053 -2.246) 2.481 3.487 ( 0.000 1.929 -5.295) 5.636 3.655 ( 0.000 1.779 0.216) 1.792 3.737 ( 0.000 -6.643 2.422) 7.071 3.810 ( 0.000 1.768 3.938) 4.317 3.827 ( 0.000 10.007 5.743) 11.538 3.951 ( 0.000 9.892 3.062) 10.355 3.989 ( 0.000 -1.786 -0.170) 1.794 4.090 ( 0.000 -4.118 0.032) 4.118 4.113 ( 0.000 1.040 8.265) 8.330 4.172 ( 0.000 -0.414 5.414) 5.430 4.399 ( 0.000 18.953 -0.241) 18.954 4.481 ( 0.000 -3.498 -1.132) 3.677 4.494 ( 0.000 -5.667 3.996) 6.934 4.618 ( 0.000 8.181 -2.437) 8.536 4.680 ( 0.000 17.555 -2.633) 17.751 4.718 ( 0.000 -2.973 1.572) 3.363 4.728 ( 0.000 14.360 2.924) 14.655 4.980 ( 0.000 10.207 -1.347) 10.296 5.102 ( 0.000 2.880 -4.274) 5.153 5.140 ( 0.000 4.270 -3.527) 5.538 5.329 ( 0.000 5.248 4.631) 6.999 5.418 ( 0.000 1.896 0.940) 2.117 5.552 ( 0.000 -3.768 -3.951) 5.460 5.565 ( 0.000 1.135 4.714) 4.849 5.731 ( 0.000 9.489 -0.077) 9.490 5.741 ( 0.000 5.219 0.552) 5.248 6.052 ( 0.000 6.068 -8.287) 10.271 6.270 ( 0.000 2.671 -0.577) 2.732 6.412 ( 0.000 33.017 8.977) 34.216 6.784 ( 0.000 0.286 -3.156) 3.169 7.108 ( 0.000 2.606 -2.755) 3.792 7.136 ( 0.000 19.224 -9.938) 21.641 7.164 ( 0.000 1.592 -0.808) 1.785 7.352 ( 0.000 5.481 -4.291) 6.961 7.462 ( 0.000 0.962 -5.506) 5.589 7.750 ( 0.000 -5.889 -2.841) 6.538 7.809 ( 0.000 1.368 14.129) 14.195 7.909 ( 0.000 -2.976 -5.315) 6.091 8.161 ( 0.000 6.665 -15.403) 16.783 8.211 ( 0.000 -0.063 3.114) 3.115 8.238 ( 0.000 11.415 -0.169) 11.417 8.330 ( 0.000 5.697 0.508) 5.719 8.524 ( 0.000 -0.218 4.164) 4.170 8.681 ( 0.000 4.404 7.736) 8.902 8.850 ( 0.000 7.333 8.074) 10.907 8.966 ( 0.000 9.918 -5.268) 11.230 9.210 ( 0.000 1.892 -9.237) 9.428 9.262 ( 0.000 17.491 -0.478) 17.498 9.362 ( 0.000 14.382 0.326) 14.385 9.604 ( 0.000 8.770 -4.300) 9.767 10.073 ( 0.000 -5.954 -8.376) 10.276 10.135 ( 0.000 -12.686 18.612) 22.524 10.456 ( 0.000 -1.073 -6.051) 6.146 10.459 ( 0.000 5.187 3.800) 6.430 10.519 ( 0.000 2.035 9.335) 9.554 10.522 ( 0.000 -0.176 0.081) 0.194 10.799 ( 0.000 13.875 -0.303) 13.878 10.813 ( 0.000 7.864 5.563) 9.633 11.207 ( 0.000 -1.653 -4.718) 4.999 11.507 ( 0.000 3.728 -6.172) 7.211 11.541 ( 0.000 12.969 -2.320) 13.175 11.589 ( 0.000 3.566 -2.511) 4.362 11.680 ( 0.000 8.847 -13.663) 16.277 11.703 ( 0.000 2.663 -7.453) 7.914 12.557 ( 0.000 -2.029 7.678) 7.941 12.579 ( 0.000 6.360 4.685) 7.900 12.643 ( 0.000 -0.710 14.840) 14.857 12.980 ( 0.000 -1.765 -0.145) 1.771 13.341 ( 0.000 7.856 -10.495) 13.110 13.432 ( 0.000 -4.331 0.445) 4.354 13.499 ( 0.000 -1.835 0.254) 1.853 13.870 ( 0.000 2.884 3.318) 4.396 13.900 ( 0.000 -3.475 1.965) 3.992 14.351 ( 0.000 1.930 0.141) 1.935 14.441 ( 0.000 2.141 -1.944) 2.892 14.854 ( 0.000 -0.547 7.892) 7.911 15.072 ( 0.000 -1.106 -5.965) 6.066 15.413 ( 0.000 -1.003 -24.536) 24.556 15.535 ( 0.000 -4.950 -2.396) 5.499 16.053 ( 0.000 16.381 -16.671) 23.373 16.432 ( 0.000 -7.658 -4.041) 8.659 16.514 ( 0.000 -0.761 6.446) 6.490 17.031 ( 0.000 -2.295 7.365) 7.715 17.317 ( 0.000 -6.830 -0.919) 6.892 17.437 ( 0.000 -7.034 -1.785) 7.257 17.755 ( 0.000 -11.629 6.566) 13.354 17.927 ( 0.000 -2.959 6.019) 6.707 18.038 ( 0.000 -5.759 7.570) 9.512 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 17.089 12.197 14.119) 25.301 1.163 ( 12.730 27.367 13.309) 32.987 1.674 ( -0.544 17.203 13.149) 21.660 1.714 ( -6.979 20.555 11.242) 24.446 1.837 ( 6.125 12.346 15.124) 20.462 2.213 ( 1.022 -0.795 0.741) 1.492 2.248 ( 6.417 2.033 3.642) 7.654 2.395 ( 7.829 8.354 2.147) 11.648 2.553 ( 1.298 2.772 -6.765) 7.425 2.615 ( 0.133 -1.400 -3.926) 4.170 2.758 ( 2.116 0.753 -6.020) 6.425 2.805 ( -5.178 -2.148 -3.333) 6.522 2.832 ( -4.871 -4.258 -0.970) 6.542 2.905 ( -7.307 7.107 0.642) 10.213 2.968 ( -6.833 2.459 -4.415) 8.498 2.992 ( 0.936 -4.249 2.846) 5.199 3.119 ( -4.739 -3.857 0.424) 6.125 3.259 ( 4.521 -0.548 -4.810) 6.624 3.356 ( -0.430 1.803 0.269) 1.873 3.418 ( -1.294 -1.849 -3.777) 4.400 3.482 ( -2.286 0.240 -0.330) 2.322 3.531 ( -10.529 0.515 6.335) 12.299 3.652 ( -2.065 3.156 1.048) 3.914 3.736 ( -3.142 3.361 6.039) 7.592 3.765 ( -3.072 -0.805 5.215) 6.105 3.867 ( -6.316 8.767 0.783) 10.834 3.978 ( 8.394 3.880 0.318) 9.253 4.055 ( 0.431 -1.469 -0.600) 1.644 4.086 ( 0.196 -0.869 0.934) 1.291 4.355 ( -2.886 1.274 -1.408) 3.455 4.379 ( -1.914 7.343 1.898) 7.822 4.455 ( 4.488 15.573 1.887) 16.316 4.495 ( -5.132 -1.551 -2.439) 5.890 4.522 ( -1.050 3.499 0.701) 3.720 4.731 ( 6.019 10.170 0.038) 11.817 4.813 ( 5.931 7.205 -0.210) 9.334 4.920 ( 4.966 3.684 -1.725) 6.419 5.000 ( 6.106 7.566 1.485) 9.836 5.062 ( -3.181 2.873 -2.762) 5.099 5.185 ( 2.396 2.035 -3.303) 4.560 5.343 ( 2.600 4.957 2.364) 6.077 5.401 ( -0.668 -0.620 0.472) 1.026 5.512 ( -1.314 2.471 2.863) 4.004 5.612 ( 0.919 3.437 -2.390) 4.286 5.709 ( -1.916 4.879 1.647) 5.495 5.748 ( 0.146 6.828 -0.766) 6.873 6.078 ( 2.277 4.051 -5.749) 7.392 6.200 ( -3.754 5.590 0.351) 6.743 6.586 ( 12.899 27.725 4.893) 30.967 6.865 ( 5.020 5.249 -8.509) 11.187 7.066 ( -1.772 5.835 -3.391) 6.978 7.144 ( -2.981 7.075 -2.321) 8.020 7.196 ( 7.144 11.302 1.852) 13.499 7.364 ( 1.703 1.871 -2.886) 3.838 7.438 ( -1.589 -1.145 -4.388) 4.805 7.653 ( -7.979 0.224 1.198) 8.072 7.677 ( -9.984 1.451 8.624) 13.273 7.906 ( -7.100 -0.262 -5.058) 8.721 8.012 ( -4.188 1.984 -6.084) 7.648 8.147 ( -4.802 2.205 4.192) 6.744 8.237 ( -1.998 6.732 1.758) 7.239 8.293 ( -1.687 2.216 -6.913) 7.453 8.685 ( 11.760 3.968 6.523) 14.021 8.780 ( 7.882 7.022 1.853) 10.718 8.875 ( 4.334 1.152 3.357) 5.601 9.026 ( -0.596 2.811 5.619) 6.311 9.186 ( 0.279 4.115 -9.978) 10.797 9.255 ( -0.605 15.660 -1.267) 15.723 9.343 ( -2.079 14.519 0.116) 14.668 9.449 ( -7.948 16.823 0.128) 18.607 9.967 ( 0.988 1.974 -2.173) 3.097 10.176 ( -6.687 4.572 2.944) 8.619 10.299 ( -8.351 0.202 1.256) 8.448 10.420 ( -4.965 6.178 2.763) 8.394 10.716 ( 11.164 2.029 -1.454) 11.439 10.721 ( 10.055 0.621 -7.351) 12.471 10.854 ( 10.113 2.251 0.775) 10.389 10.921 ( 8.063 6.557 5.902) 11.952 11.182 ( -2.314 -1.836 -6.955) 7.557 11.441 ( -6.079 5.215 -7.059) 10.676 11.492 ( -3.240 10.327 -1.642) 10.947 11.568 ( -5.430 7.158 -7.617) 11.779 11.633 ( -0.518 7.412 -4.367) 8.618 11.683 ( -1.637 3.711 -5.975) 7.221 12.549 ( 1.023 -1.778 8.336) 8.585 12.625 ( -1.208 -0.108 13.885) 13.938 12.739 ( 8.402 -4.946 2.407) 10.042 12.950 ( -2.761 -3.175 1.432) 4.444 13.386 ( 3.976 4.196 -9.231) 10.892 13.481 ( 4.041 -3.175 0.077) 5.139 13.498 ( -0.060 -2.426 -0.243) 2.439 13.764 ( -7.893 0.760 2.362) 8.274 13.976 ( 6.149 -2.103 1.049) 6.583 14.284 ( -5.887 0.074 -0.958) 5.965 14.506 ( 5.828 0.923 5.393) 7.994 14.803 ( -5.296 -1.871 8.623) 10.291 15.068 ( 1.318 1.415 -9.685) 9.876 15.293 ( -7.682 -0.510 -18.570) 20.103 15.647 ( 7.121 -2.272 -6.338) 9.800 15.932 ( -7.378 9.177 -7.881) 14.169 16.556 ( 6.106 -6.741 -4.144) 9.995 16.584 ( 5.815 -2.999 -1.417) 6.694 17.004 ( -1.100 -3.289 9.079) 9.719 17.243 ( -7.726 -4.147 2.806) 9.207 17.510 ( 5.533 -7.912 -1.536) 9.776 17.675 ( -3.261 -5.895 3.237) 7.475 17.948 ( 0.712 -4.632 7.453) 8.804 18.013 ( -2.065 -4.836 7.805) 9.411 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -23.022 7.523 5.543) 24.846 1.350 ( 23.022 7.523 5.543) 24.846 1.420 ( -13.040 29.031 8.255) 32.879 1.420 ( 13.040 29.031 8.255) 32.879 2.207 ( -4.541 -0.121 2.679) 5.274 2.207 ( 4.541 -0.121 2.679) 5.274 2.476 ( -19.876 3.399 9.942) 22.482 2.476 ( 19.876 3.399 9.942) 22.482 2.582 ( -4.732 3.854 -3.025) 6.812 2.582 ( 4.732 3.854 -3.025) 6.812 2.688 ( -3.638 3.934 0.169) 5.361 2.688 ( 3.638 3.934 0.169) 5.361 2.790 ( -2.875 3.745 -0.875) 4.802 2.790 ( 2.875 3.745 -0.875) 4.802 2.915 ( -6.480 -0.515 -0.910) 6.564 2.915 ( 6.480 -0.515 -0.910) 6.564 3.109 ( -6.714 -4.447 5.508) 9.756 3.109 ( 6.714 -4.447 5.508) 9.756 3.370 ( -3.976 0.147 -5.541) 6.822 3.370 ( 3.976 0.147 -5.541) 6.822 3.537 ( -5.691 0.017 -0.743) 5.740 3.537 ( 5.691 0.017 -0.743) 5.740 3.674 ( -5.422 0.995 -0.287) 5.520 3.674 ( 5.422 0.995 -0.287) 5.520 3.746 ( -2.550 7.627 4.523) 9.227 3.746 ( 2.550 7.627 4.523) 9.227 4.046 ( -1.125 -2.800 -0.380) 3.042 4.046 ( 1.125 -2.800 -0.380) 3.042 4.214 ( -9.052 5.819 1.093) 10.817 4.214 ( 9.052 5.819 1.093) 10.817 4.396 ( -2.795 -1.244 -0.516) 3.103 4.396 ( 2.795 -1.244 -0.516) 3.103 4.511 ( -1.150 14.587 0.533) 14.642 4.511 ( 1.150 14.587 0.533) 14.642 4.849 ( -4.792 8.869 -2.067) 10.291 4.849 ( 4.792 8.869 -2.067) 10.291 4.959 ( -5.902 2.512 -0.995) 6.491 4.959 ( 5.902 2.512 -0.995) 6.491 5.171 ( -4.687 0.834 -0.515) 4.788 5.171 ( 4.687 0.834 -0.515) 4.788 5.399 ( -0.593 -1.364 -0.148) 1.495 5.399 ( 0.593 -1.364 -0.148) 1.495 5.545 ( -5.171 7.337 1.716) 9.138 5.545 ( 5.171 7.337 1.716) 9.138 5.722 ( -2.082 6.135 -0.488) 6.497 5.722 ( 2.082 6.135 -0.488) 6.497 6.133 ( -2.967 3.176 -2.253) 4.895 6.133 ( 2.967 3.176 -2.253) 4.895 6.840 ( -8.923 23.936 -4.323) 25.908 6.840 ( 8.923 23.936 -4.323) 25.908 7.071 ( -2.574 2.633 -0.805) 3.770 7.071 ( 2.574 2.633 -0.805) 3.770 7.378 ( -4.431 -1.635 -0.275) 4.731 7.378 ( 4.431 -1.635 -0.275) 4.731 7.466 ( -8.883 5.644 4.877) 11.599 7.466 ( 8.883 5.644 4.877) 11.599 7.633 ( -9.849 2.038 -3.406) 10.619 7.633 ( 9.849 2.038 -3.406) 10.619 8.056 ( -4.143 -0.047 0.640) 4.192 8.056 ( 4.143 -0.047 0.640) 4.192 8.247 ( -2.327 1.980 -2.751) 4.112 8.247 ( 2.327 1.980 -2.751) 4.112 8.864 ( -3.040 8.582 4.033) 9.958 8.864 ( 3.040 8.582 4.033) 9.958 8.966 ( -4.135 -2.433 2.132) 5.250 8.966 ( 4.135 -2.433 2.132) 5.250 9.236 ( -2.833 8.925 -4.029) 10.194 9.236 ( 2.833 8.925 -4.029) 10.194 9.317 ( -2.585 18.593 -0.598) 18.781 9.317 ( 2.585 18.593 -0.598) 18.781 10.075 ( -6.961 4.364 0.183) 8.218 10.075 ( 6.961 4.364 0.183) 8.218 10.231 ( -8.968 10.202 2.918) 13.893 10.231 ( 8.968 10.202 2.918) 13.893 10.875 ( -2.165 -2.370 -5.555) 6.416 10.875 ( 2.165 -2.370 -5.555) 6.416 10.990 ( -1.106 2.757 -0.445) 3.004 10.990 ( 1.106 2.757 -0.445) 3.004 11.246 ( -11.017 2.904 -9.609) 14.904 11.246 ( 11.017 2.904 -9.609) 14.904 11.469 ( -2.066 11.846 -1.421) 12.109 11.469 ( 2.066 11.846 -1.421) 12.109 11.650 ( -1.390 4.778 -3.611) 6.148 11.650 ( 1.390 4.778 -3.611) 6.148 12.586 ( -2.239 -1.792 9.846) 10.255 12.586 ( 2.239 -1.792 9.846) 10.255 12.871 ( -4.926 -5.362 3.292) 7.991 12.871 ( 4.926 -5.362 3.292) 7.991 13.465 ( -2.861 -0.166 -5.187) 5.926 13.465 ( 2.861 -0.166 -5.187) 5.926 13.602 ( -7.163 -2.039 2.163) 7.755 13.602 ( 7.163 -2.039 2.163) 7.755 14.132 ( -8.332 -2.010 -0.502) 8.586 14.132 ( 8.332 -2.010 -0.502) 8.586 14.656 ( -8.104 -1.275 9.047) 12.213 14.656 ( 8.104 -1.275 9.047) 12.213 15.148 ( -5.998 1.322 -15.133) 16.332 15.148 ( 5.998 1.322 -15.133) 16.332 15.790 ( -6.799 2.287 -5.481) 9.028 15.790 ( 6.799 2.287 -5.481) 9.028 16.639 ( -1.304 -6.216 -4.758) 7.935 16.639 ( 1.304 -6.216 -4.758) 7.935 17.061 ( -7.379 -2.602 9.977) 12.679 17.061 ( 7.379 -2.602 9.977) 12.679 17.617 ( -4.037 -6.010 -2.605) 7.694 17.617 ( 4.037 -6.010 -2.605) 7.694 17.969 ( -1.790 -4.551 8.805) 10.072 17.969 ( 1.790 -4.551 8.805) 10.072 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 17.531 17.031) 24.442 1.267 ( 0.000 18.040 20.813) 27.543 1.946 ( 0.000 3.397 6.526) 7.357 2.200 ( 0.000 -0.139 1.626) 1.632 2.205 ( 0.000 1.204 2.462) 2.741 2.247 ( 0.000 11.100 1.822) 11.249 2.387 ( 0.000 42.169 9.499) 43.225 2.438 ( 0.000 5.902 0.214) 5.906 2.550 ( 0.000 -2.313 0.354) 2.340 2.660 ( 0.000 -2.622 -0.417) 2.655 2.740 ( 0.000 10.648 -1.747) 10.790 2.757 ( 0.000 -6.556 -0.887) 6.615 2.854 ( 0.000 -0.451 0.628) 0.773 3.001 ( 0.000 -2.523 -6.550) 7.019 3.023 ( 0.000 5.163 -2.738) 5.844 3.056 ( 0.000 -2.772 -1.367) 3.091 3.077 ( 0.000 -1.903 -1.210) 2.255 3.214 ( 0.000 8.387 -1.376) 8.499 3.366 ( 0.000 -0.411 -4.896) 4.913 3.397 ( 0.000 1.627 -2.042) 2.611 3.454 ( 0.000 -12.896 1.290) 12.960 3.475 ( 0.000 -2.330 -1.491) 2.766 3.693 ( 0.000 -0.190 1.392) 1.405 3.770 ( 0.000 -4.868 0.933) 4.957 3.924 ( 0.000 -4.036 2.764) 4.892 3.945 ( 0.000 -3.620 2.035) 4.153 4.002 ( 0.000 -3.630 -2.379) 4.340 4.129 ( 0.000 6.407 7.343) 9.745 4.195 ( 0.000 2.581 6.203) 6.718 4.242 ( 0.000 10.237 -1.149) 10.301 4.345 ( 0.000 -5.617 2.572) 6.177 4.586 ( 0.000 12.532 -0.463) 12.540 4.620 ( 0.000 -5.918 2.321) 6.357 4.644 ( 0.000 -0.376 -2.928) 2.952 4.866 ( 0.000 21.846 1.421) 21.892 5.008 ( 0.000 7.175 0.003) 7.175 5.014 ( 0.000 11.404 -3.531) 11.938 5.136 ( 0.000 7.326 -2.169) 7.640 5.208 ( 0.000 5.840 0.452) 5.857 5.278 ( 0.000 7.802 -0.332) 7.809 5.410 ( 0.000 1.069 0.196) 1.087 5.504 ( 0.000 0.555 -1.372) 1.481 5.533 ( 0.000 -0.297 4.897) 4.906 5.718 ( 0.000 26.060 4.405) 26.429 5.908 ( 0.000 12.883 1.333) 12.951 6.019 ( 0.000 11.731 -1.304) 11.803 6.113 ( 0.000 5.825 -0.965) 5.905 6.372 ( 0.000 8.070 -2.058) 8.328 6.834 ( 0.000 5.312 -12.656) 13.726 7.096 ( 0.000 -1.848 -3.817) 4.240 7.213 ( 0.000 6.579 -3.673) 7.535 7.237 ( 0.000 33.151 -0.761) 33.160 7.273 ( 0.000 6.986 -0.721) 7.023 7.375 ( 0.000 -1.432 -5.518) 5.701 7.651 ( 0.000 -4.226 -0.533) 4.260 7.756 ( 0.000 15.824 -8.370) 17.901 7.855 ( 0.000 3.560 18.581) 18.919 7.866 ( 0.000 -0.239 -1.741) 1.758 8.159 ( 0.000 2.524 -0.230) 2.535 8.389 ( 0.000 5.442 -2.289) 5.904 8.394 ( 0.000 12.667 -10.744) 16.609 8.528 ( 0.000 1.244 3.161) 3.397 8.565 ( 0.000 14.786 4.630) 15.494 8.762 ( 0.000 4.012 5.717) 6.984 8.996 ( 0.000 7.502 10.923) 13.251 9.121 ( 0.000 4.592 -10.828) 11.762 9.182 ( 0.000 -3.577 -3.684) 5.135 9.647 ( 0.000 12.330 2.570) 12.595 9.675 ( 0.000 19.047 -2.610) 19.225 9.940 ( 0.000 7.970 -1.341) 8.082 10.007 ( 0.000 17.453 -6.085) 18.484 10.049 ( 0.000 5.153 22.727) 23.304 10.408 ( 0.000 -3.770 -3.921) 5.440 10.459 ( 0.000 -1.904 0.499) 1.968 10.682 ( 0.000 13.753 0.437) 13.760 10.739 ( 0.000 18.454 3.981) 18.879 10.998 ( 0.000 10.248 8.966) 13.617 11.145 ( 0.000 21.071 -2.531) 21.223 11.234 ( 0.000 4.575 -10.226) 11.203 11.623 ( 0.000 7.948 -3.816) 8.817 11.687 ( 0.000 6.728 -2.857) 7.310 11.793 ( 0.000 6.989 -9.687) 11.945 11.821 ( 0.000 10.276 -5.660) 11.731 11.904 ( 0.000 16.505 -4.306) 17.058 12.514 ( 0.000 -2.026 5.952) 6.287 12.690 ( 0.000 3.925 10.433) 11.147 12.723 ( 0.000 7.001 -1.497) 7.160 12.891 ( 0.000 -8.266 3.281) 8.893 13.304 ( 0.000 -7.743 -5.374) 9.425 13.347 ( 0.000 -3.283 -1.926) 3.806 13.402 ( 0.000 -8.412 1.131) 8.488 13.786 ( 0.000 -8.189 0.300) 8.194 13.964 ( 0.000 7.299 3.655) 8.163 14.413 ( 0.000 4.468 3.454) 5.647 14.498 ( 0.000 3.464 -3.497) 4.922 14.858 ( 0.000 2.235 7.661) 7.980 15.020 ( 0.000 -4.971 -5.703) 7.565 15.397 ( 0.000 -8.675 -2.329) 8.982 15.401 ( 0.000 0.524 -19.492) 19.499 16.207 ( 0.000 -15.134 -2.886) 15.407 16.327 ( 0.000 11.567 -22.196) 25.029 16.492 ( 0.000 -1.954 -0.533) 2.025 16.977 ( 0.000 -2.530 12.494) 12.747 17.109 ( 0.000 -14.160 -2.031) 14.305 17.258 ( 0.000 -10.375 -3.972) 11.109 17.569 ( 0.000 -6.845 11.325) 13.233 17.841 ( 0.000 -5.657 6.816) 8.858 17.899 ( 0.000 -8.723 7.080) 11.235 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 13.302 17.840 8.707) 23.896 1.516 ( 18.378 13.423 17.322) 28.600 1.856 ( -9.546 6.378 6.216) 13.055 2.106 ( -8.527 13.316 2.976) 16.090 2.196 ( 0.147 0.653 0.760) 1.013 2.232 ( -0.913 3.265 1.911) 3.892 2.452 ( 2.526 9.666 2.788) 10.372 2.487 ( 5.885 18.013 4.631) 19.508 2.549 ( 1.570 1.440 -0.833) 2.288 2.696 ( -4.018 -3.291 -4.297) 6.741 2.708 ( 1.581 -0.318 -1.028) 1.912 2.778 ( 2.822 -0.049 -0.343) 2.843 2.822 ( 2.744 5.888 2.038) 6.808 2.987 ( -3.097 4.575 -1.364) 5.691 3.003 ( -1.568 4.718 -2.418) 5.529 3.047 ( -2.423 -0.182 -0.029) 2.430 3.080 ( -0.078 1.547 -0.565) 1.648 3.187 ( -0.318 -1.201 0.096) 1.246 3.340 ( -8.473 -3.035 -0.374) 9.008 3.412 ( -0.157 -5.424 -0.783) 5.483 3.447 ( 0.976 1.519 -1.736) 2.505 3.528 ( 4.966 -0.560 -0.296) 5.006 3.678 ( -4.226 0.125 -0.072) 4.228 3.711 ( -10.467 3.880 10.149) 15.087 3.789 ( -1.019 -1.469 3.753) 4.157 3.926 ( 2.343 -6.712 -2.690) 7.601 3.966 ( -2.247 -0.116 -0.715) 2.361 4.022 ( 2.101 -4.603 -0.729) 5.112 4.138 ( -5.085 2.431 1.066) 5.736 4.359 ( -2.055 -2.126 0.349) 2.977 4.406 ( -5.572 -1.858 0.886) 5.940 4.502 ( 2.067 11.959 -2.351) 12.362 4.637 ( 11.047 4.651 4.225) 12.709 4.886 ( 6.433 8.795 -0.328) 10.901 4.906 ( 6.848 12.273 0.293) 14.057 5.006 ( 0.795 9.504 -0.517) 9.551 5.033 ( 1.203 8.278 -3.541) 9.083 5.103 ( -3.793 4.196 -3.412) 6.606 5.199 ( -0.535 6.975 2.608) 7.466 5.268 ( -1.043 6.287 0.009) 6.372 5.379 ( -1.211 -0.360 0.927) 1.567 5.441 ( -2.743 2.455 1.082) 3.837 5.662 ( 6.595 3.013 2.278) 7.600 5.751 ( 3.943 21.852 3.259) 22.443 5.868 ( -3.637 12.860 1.943) 13.505 5.984 ( -3.507 9.445 -0.842) 10.110 6.143 ( 2.809 7.661 -1.507) 8.298 6.324 ( -4.265 9.182 -2.829) 10.512 6.906 ( 5.848 2.827 -10.682) 12.501 7.058 ( -2.483 0.596 -4.768) 5.409 7.248 ( 2.871 -0.817 -4.299) 5.234 7.298 ( 4.008 12.670 1.948) 13.430 7.328 ( 4.633 22.115 -2.574) 22.741 7.369 ( 0.229 -2.396 -5.793) 6.273 7.650 ( 0.182 7.150 -0.098) 7.153 7.669 ( -5.102 10.052 6.606) 13.066 7.789 ( -3.368 7.887 -1.299) 8.674 7.897 ( 0.608 1.946 0.242) 2.053 8.105 ( -10.927 8.494 -5.998) 15.084 8.207 ( -2.410 6.032 -0.061) 6.496 8.381 ( -7.380 9.713 0.224) 12.201 8.436 ( -8.173 10.214 3.313) 13.495 8.747 ( 14.625 3.114 6.414) 16.270 8.848 ( 8.117 1.155 3.281) 8.831 8.989 ( 2.144 6.444 2.736) 7.321 9.061 ( -6.199 2.021 -0.148) 6.522 9.242 ( 6.421 3.341 -4.068) 8.303 9.595 ( -7.483 14.714 0.003) 16.508 9.705 ( 2.680 20.090 -1.267) 20.307 9.913 ( -7.491 23.779 -0.396) 24.934 10.050 ( 12.386 10.172 -0.195) 16.029 10.286 ( 4.465 -0.542 4.423) 6.308 10.363 ( -1.085 13.601 4.299) 14.305 10.541 ( 11.072 1.177 -2.047) 11.321 10.678 ( 5.332 5.193 1.868) 7.674 10.822 ( 2.685 5.950 -2.439) 6.968 10.969 ( -3.479 10.076 2.240) 10.892 11.180 ( 2.126 17.981 1.711) 18.187 11.232 ( 1.542 6.385 -9.893) 11.875 11.556 ( -9.202 7.797 -7.516) 14.211 11.645 ( -1.759 6.185 -2.540) 6.914 11.699 ( -3.092 4.905 -5.342) 7.884 11.857 ( -0.556 14.996 -2.458) 15.206 11.870 ( -1.593 13.128 -2.671) 13.492 12.519 ( 0.539 -0.789 3.273) 3.409 12.640 ( -4.420 1.908 5.384) 7.222 12.748 ( 1.960 2.679 2.188) 3.976 12.852 ( -3.095 -6.912 4.682) 8.904 13.320 ( 1.684 -9.005 -3.170) 9.694 13.391 ( -0.712 -8.804 0.284) 8.838 13.427 ( 6.440 -1.375 -1.354) 6.723 13.743 ( -5.169 -4.943 1.092) 7.235 13.984 ( 3.276 4.440 0.201) 5.521 14.299 ( -8.653 1.441 -1.187) 8.852 14.556 ( 4.079 4.477 3.796) 7.148 14.779 ( -5.889 0.618 8.158) 10.081 15.057 ( 3.038 -2.725 -7.410) 8.460 15.255 ( -6.129 -3.716 -11.483) 13.536 15.609 ( 11.549 -0.760 -8.824) 14.554 16.068 ( -9.910 0.661 -9.103) 13.473 16.392 ( 3.852 -5.760 -10.177) 12.312 16.505 ( -0.029 -6.128 -4.783) 7.773 16.935 ( 0.082 -2.927 11.437) 11.806 17.148 ( -3.526 -5.291 0.386) 6.370 17.299 ( 7.099 -12.683 -0.219) 14.537 17.544 ( -2.159 -6.805 4.632) 8.510 17.833 ( -0.414 -7.017 9.214) 11.590 17.884 ( -1.499 -8.228 7.527) 11.252 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -17.885 12.515 5.028) 22.400 1.552 ( 17.885 12.515 5.028) 22.400 1.875 ( -14.279 15.101 7.258) 22.014 1.875 ( 14.279 15.101 7.258) 22.014 2.213 ( -1.074 0.325 1.146) 1.604 2.213 ( 1.074 0.325 1.146) 1.604 2.499 ( -2.861 -3.486 -4.270) 6.211 2.499 ( 2.861 -3.486 -4.270) 6.211 2.625 ( -3.360 1.333 -1.348) 3.858 2.625 ( 3.360 1.333 -1.348) 3.858 2.844 ( -5.185 0.659 2.587) 5.832 2.844 ( 5.185 0.659 2.587) 5.832 2.899 ( -4.204 11.815 2.442) 12.776 2.899 ( 4.204 11.815 2.442) 12.776 2.995 ( -5.673 8.362 4.930) 11.243 2.995 ( 5.673 8.362 4.930) 11.243 3.048 ( -6.270 5.197 3.746) 8.964 3.048 ( 6.270 5.197 3.746) 8.964 3.289 ( -7.192 -6.037 -1.833) 9.567 3.289 ( 7.192 -6.037 -1.833) 9.567 3.546 ( -4.525 -0.616 -0.889) 4.652 3.546 ( 4.525 -0.616 -0.889) 4.652 3.640 ( -5.050 -1.715 1.271) 5.482 3.640 ( 5.050 -1.715 1.271) 5.482 3.860 ( -7.220 2.133 -0.353) 7.537 3.860 ( 7.220 2.133 -0.353) 7.537 3.989 ( -3.335 -3.315 -0.811) 4.771 3.989 ( 3.335 -3.315 -0.811) 4.771 4.191 ( -8.393 -7.357 -0.008) 11.161 4.191 ( 8.393 -7.357 -0.008) 11.161 4.450 ( -3.851 9.157 0.713) 9.959 4.450 ( 3.851 9.157 0.713) 9.959 4.865 ( -7.365 11.859 -0.176) 13.961 4.865 ( 7.365 11.859 -0.176) 13.961 5.013 ( -2.267 6.645 -1.513) 7.182 5.013 ( 2.267 6.645 -1.513) 7.182 5.050 ( -0.600 6.207 -1.901) 6.519 5.050 ( 0.600 6.207 -1.901) 6.519 5.224 ( -3.115 4.561 1.429) 5.705 5.224 ( 3.115 4.561 1.429) 5.705 5.389 ( -1.956 0.933 1.288) 2.521 5.389 ( 1.956 0.933 1.288) 2.521 5.770 ( -4.779 14.340 2.903) 15.391 5.770 ( 4.779 14.340 2.903) 15.391 5.880 ( -6.335 8.295 0.487) 10.449 5.880 ( 6.335 8.295 0.487) 10.449 6.224 ( -4.883 9.339 -2.675) 10.873 6.224 ( 4.883 9.339 -2.675) 10.873 7.005 ( -3.220 0.617 -6.991) 7.722 7.005 ( 3.220 0.617 -6.991) 7.722 7.312 ( -2.914 -1.823 -4.240) 5.458 7.312 ( 2.914 -1.823 -4.240) 5.458 7.394 ( -2.374 7.565 1.057) 7.999 7.394 ( 2.374 7.565 1.057) 7.999 7.678 ( -2.314 18.054 -3.574) 18.550 7.678 ( 2.314 18.054 -3.574) 18.550 7.741 ( -5.235 8.856 0.161) 10.289 7.741 ( 5.235 8.856 0.161) 10.289 8.098 ( -7.120 9.204 5.643) 12.932 8.098 ( 7.120 9.204 5.643) 12.932 8.319 ( -2.166 5.064 -1.826) 5.802 8.319 ( 2.166 5.064 -1.826) 5.802 8.918 ( -5.500 -1.907 0.989) 5.905 8.918 ( 5.500 -1.907 0.989) 5.905 9.046 ( -3.728 8.883 2.154) 9.872 9.046 ( 3.728 8.883 2.154) 9.872 9.391 ( -10.235 6.938 1.646) 12.474 9.391 ( 10.235 6.938 1.646) 12.474 9.770 ( -4.859 23.071 -0.076) 23.578 9.770 ( 4.859 23.071 -0.076) 23.578 10.242 ( -3.474 13.175 -0.965) 13.659 10.242 ( 3.474 13.175 -0.965) 13.659 10.505 ( -11.566 17.271 3.157) 21.024 10.505 ( 11.566 17.271 3.157) 21.024 10.814 ( -3.052 -3.448 -4.979) 6.782 10.814 ( 3.052 -3.448 -4.979) 6.782 11.088 ( -11.934 6.227 -1.589) 13.555 11.088 ( 11.934 6.227 -1.589) 13.555 11.345 ( -9.254 7.440 -7.071) 13.820 11.345 ( 9.254 7.440 -7.071) 13.820 11.650 ( -1.943 6.878 -1.476) 7.298 11.650 ( 1.943 6.878 -1.476) 7.298 11.848 ( -0.657 13.914 -1.078) 13.971 11.848 ( 0.657 13.914 -1.078) 13.971 12.552 ( -3.182 -0.707 1.680) 3.667 12.552 ( 3.182 -0.707 1.680) 3.667 12.792 ( -2.481 -2.745 5.106) 6.305 12.792 ( 2.481 -2.745 5.106) 6.305 13.361 ( -1.975 -9.659 -1.180) 9.930 13.361 ( 1.975 -9.659 -1.180) 9.930 13.590 ( -8.626 -0.665 0.302) 8.657 13.590 ( 8.626 -0.665 0.302) 8.657 14.112 ( -8.586 0.438 -1.981) 8.823 14.112 ( 8.586 0.438 -1.981) 8.823 14.657 ( -5.662 2.480 7.777) 9.934 14.657 ( 5.662 2.480 7.777) 9.934 15.140 ( -5.020 -2.455 -9.943) 11.405 15.140 ( 5.020 -2.455 -9.943) 11.405 15.848 ( -11.441 2.798 -8.507) 14.529 15.848 ( 11.441 2.798 -8.507) 14.529 16.467 ( -3.256 -10.383 -6.554) 12.702 16.467 ( 3.256 -10.383 -6.554) 12.702 17.016 ( -6.851 -1.713 8.158) 10.790 17.016 ( 6.851 -1.713 8.158) 10.790 17.459 ( -6.597 -9.558 -1.148) 11.670 17.459 ( 6.597 -9.558 -1.148) 11.670 17.846 ( -1.720 -7.798 9.608) 12.493 17.846 ( 1.720 -7.798 9.608) 12.493 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 19.264 9.867) 21.644 1.632 ( 0.000 18.500 13.001) 22.612 1.994 ( 0.000 1.660 5.513) 5.757 2.193 ( 0.000 -0.529 2.309) 2.369 2.207 ( 0.000 -0.252 2.667) 2.679 2.370 ( 0.000 2.391 -1.681) 2.923 2.445 ( 0.000 -2.791 1.458) 3.149 2.582 ( 0.000 3.846 1.323) 4.067 2.586 ( 0.000 -2.348 2.082) 3.138 2.626 ( 0.000 -5.577 0.867) 5.644 2.763 ( 0.000 -12.311 1.904) 12.457 2.836 ( 0.000 -3.264 0.116) 3.266 2.852 ( 0.000 1.342 1.068) 1.715 2.871 ( 0.000 1.756 -2.432) 3.000 3.072 ( 0.000 -7.016 1.403) 7.155 3.233 ( 0.000 10.529 -7.649) 13.014 3.263 ( 0.000 6.057 -0.473) 6.076 3.298 ( 0.000 -1.011 -0.909) 1.360 3.348 ( 0.000 5.000 -5.281) 7.273 3.363 ( 0.000 13.335 1.207) 13.389 3.445 ( 0.000 4.103 -1.715) 4.447 3.531 ( 0.000 10.786 2.711) 11.121 3.656 ( 0.000 -3.116 -2.425) 3.948 3.661 ( 0.000 -4.226 -2.071) 4.706 3.812 ( 0.000 -5.385 4.106) 6.772 3.849 ( 0.000 -5.000 3.013) 5.838 3.966 ( 0.000 1.626 -0.796) 1.810 4.216 ( 0.000 -0.615 4.396) 4.439 4.262 ( 0.000 6.704 6.258) 9.171 4.350 ( 0.000 5.810 2.604) 6.366 4.390 ( 0.000 5.070 -3.668) 6.258 4.488 ( 0.000 -6.804 2.870) 7.384 4.620 ( 0.000 -2.106 -2.108) 2.980 4.809 ( 0.000 7.107 -0.690) 7.140 5.082 ( 0.000 2.674 -2.164) 3.440 5.124 ( 0.000 2.942 -4.806) 5.635 5.175 ( 0.000 9.537 1.500) 9.654 5.228 ( 0.000 -0.120 0.993) 1.000 5.313 ( 0.000 6.728 -1.629) 6.922 5.402 ( 0.000 3.221 -0.560) 3.269 5.441 ( 0.000 3.332 3.254) 4.657 5.484 ( 0.000 -3.644 2.940) 4.682 5.562 ( 0.000 2.344 1.925) 3.034 5.874 ( 0.000 -13.921 0.812) 13.944 6.224 ( 0.000 20.764 0.132) 20.765 6.305 ( 0.000 26.155 3.467) 26.383 6.522 ( 0.000 18.340 -0.447) 18.345 6.552 ( 0.000 11.871 1.588) 11.977 6.985 ( 0.000 9.291 -17.893) 20.162 7.073 ( 0.000 0.489 -4.700) 4.725 7.176 ( 0.000 -1.873 -3.392) 3.874 7.287 ( 0.000 -4.264 -5.805) 7.203 7.386 ( 0.000 3.912 -0.059) 3.912 7.576 ( 0.000 -3.588 -0.508) 3.624 7.643 ( 0.000 -1.059 -7.917) 7.988 7.814 ( 0.000 -5.521 -2.245) 5.959 7.959 ( 0.000 6.900 18.290) 19.548 8.067 ( 0.000 13.178 3.055) 13.528 8.330 ( 0.000 10.076 -2.835) 10.467 8.469 ( 0.000 2.395 -4.052) 4.707 8.577 ( 0.000 5.130 0.631) 5.169 8.741 ( 0.000 20.688 -5.125) 21.313 8.805 ( 0.000 8.150 9.993) 12.895 8.862 ( 0.000 5.967 6.119) 8.547 9.025 ( 0.000 -8.106 -2.926) 8.618 9.183 ( 0.000 14.062 8.906) 16.645 9.246 ( 0.000 4.361 -7.773) 8.913 9.787 ( 0.000 0.400 -6.164) 6.177 9.888 ( 0.000 14.168 6.016) 15.393 10.046 ( 0.000 1.169 0.502) 1.272 10.239 ( 0.000 6.167 7.849) 9.982 10.332 ( 0.000 1.302 5.139) 5.301 10.467 ( 0.000 3.265 0.539) 3.309 10.541 ( 0.000 22.923 -4.084) 23.284 10.963 ( 0.000 14.066 0.165) 14.066 11.155 ( 0.000 22.050 1.043) 22.075 11.258 ( 0.000 17.710 11.164) 20.935 11.358 ( 0.000 7.178 -12.624) 14.522 11.602 ( 0.000 22.006 -2.432) 22.140 11.774 ( 0.000 7.731 -6.633) 10.187 11.871 ( 0.000 9.942 -7.663) 12.553 11.958 ( 0.000 5.795 -3.941) 7.008 12.018 ( 0.000 17.293 -2.343) 17.451 12.257 ( 0.000 17.812 -1.454) 17.871 12.481 ( 0.000 -1.450 3.521) 3.808 12.648 ( 0.000 -15.475 5.197) 16.324 12.707 ( 0.000 -3.641 7.374) 8.224 12.852 ( 0.000 6.191 -3.908) 7.322 13.089 ( 0.000 -12.936 -3.626) 13.435 13.187 ( 0.000 -13.123 1.746) 13.238 13.310 ( 0.000 -1.640 -1.222) 2.045 13.581 ( 0.000 -12.450 -1.121) 12.501 14.176 ( 0.000 13.427 -2.724) 13.700 14.529 ( 0.000 7.739 7.627) 10.866 14.569 ( 0.000 3.417 -7.965) 8.667 14.860 ( 0.000 -10.759 -4.665) 11.727 14.982 ( 0.000 9.843 2.833) 10.243 15.226 ( 0.000 -6.781 0.431) 6.795 15.453 ( 0.000 4.560 -11.536) 12.405 15.849 ( 0.000 -20.827 -0.144) 20.828 16.400 ( 0.000 -8.115 -8.673) 11.878 16.501 ( 0.000 3.867 -21.315) 21.663 16.812 ( 0.000 -12.682 -3.509) 13.158 16.979 ( 0.000 3.926 17.363) 17.801 17.066 ( 0.000 -8.407 -7.621) 11.347 17.476 ( 0.000 -2.923 12.762) 13.093 17.693 ( 0.000 -12.053 8.051) 14.494 17.711 ( 0.000 -7.362 8.393) 11.164 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 10.724 18.800 4.751) 22.159 1.777 ( 12.714 13.162 13.090) 22.499 1.970 ( -3.347 4.769 6.166) 8.483 2.173 ( -1.723 -0.167 0.716) 1.873 2.201 ( -0.331 -0.220 3.182) 3.207 2.357 ( -2.356 4.176 0.423) 4.814 2.416 ( -2.853 -0.785 -0.918) 3.098 2.524 ( -3.347 -1.059 0.735) 3.587 2.610 ( -0.142 -0.184 -2.390) 2.401 2.646 ( -3.127 -2.823 0.970) 4.323 2.706 ( 0.662 -3.283 0.882) 3.464 2.784 ( 2.101 -7.718 1.020) 8.063 2.835 ( -1.182 -5.557 2.643) 6.266 2.970 ( 3.837 -2.831 -0.523) 4.797 3.023 ( -3.848 -7.114 4.650) 9.330 3.160 ( -3.598 4.935 -3.299) 6.941 3.225 ( -5.523 2.397 -1.294) 6.158 3.269 ( -3.292 4.844 -0.500) 5.878 3.372 ( 4.332 9.023 -3.602) 10.638 3.421 ( 3.207 12.303 0.397) 12.720 3.490 ( 3.654 2.814 -1.616) 4.887 3.566 ( 1.572 8.196 1.622) 8.502 3.665 ( 1.551 -1.065 -2.170) 2.872 3.731 ( -0.626 -1.326 2.754) 3.120 3.774 ( 6.682 -7.077 -3.521) 10.350 3.897 ( -9.646 1.474 3.594) 10.399 3.919 ( 2.029 0.751 2.037) 2.971 3.998 ( -4.846 10.922 5.759) 13.264 4.130 ( -8.240 -1.292 -0.791) 8.378 4.254 ( -11.740 -5.410 -0.256) 12.929 4.474 ( 6.022 4.439 -0.305) 7.488 4.659 ( 14.785 3.230 1.578) 15.215 4.758 ( -3.979 6.285 0.242) 7.443 4.868 ( 14.123 -2.619 -1.372) 14.429 5.094 ( 0.748 2.378 -2.611) 3.610 5.133 ( 0.185 4.081 -3.549) 5.412 5.172 ( -2.196 5.067 0.418) 5.538 5.227 ( -5.630 6.546 0.319) 8.640 5.235 ( 0.831 -0.295 -0.283) 0.926 5.373 ( -2.881 3.005 -0.493) 4.192 5.424 ( -0.715 3.546 3.437) 4.990 5.466 ( -1.074 0.517 3.141) 3.360 5.652 ( 6.375 -2.735 1.367) 7.070 5.855 ( -2.148 -12.382 0.503) 12.577 6.226 ( 0.389 21.088 1.531) 21.148 6.282 ( -1.827 25.034 3.666) 25.367 6.515 ( -0.395 18.811 -0.524) 18.823 6.546 ( -0.839 12.742 0.845) 12.797 6.996 ( 1.328 6.234 -14.378) 15.727 7.068 ( -0.738 1.964 -6.079) 6.431 7.196 ( 1.947 -2.586 -3.275) 4.604 7.280 ( -0.697 -3.682 -2.911) 4.745 7.404 ( 1.095 1.819 0.345) 2.151 7.494 ( -4.754 -0.948 -0.232) 4.853 7.698 ( 2.729 -5.125 -4.596) 7.406 7.791 ( -2.376 -5.343 -0.546) 5.873 7.877 ( -1.608 10.538 8.355) 13.544 8.155 ( 7.459 10.108 0.314) 12.567 8.281 ( -14.263 8.209 -7.641) 18.144 8.395 ( 3.340 9.471 -2.558) 10.363 8.600 ( -6.047 11.568 -1.131) 13.102 8.693 ( -3.927 11.645 4.841) 13.208 8.821 ( -0.067 2.411 3.153) 3.970 8.929 ( 12.607 9.502 7.435) 17.450 9.010 ( 1.135 2.073 -2.785) 3.652 9.214 ( 2.294 12.151 0.831) 12.393 9.325 ( 6.668 4.991 3.143) 8.902 9.817 ( -6.763 7.971 1.102) 10.511 9.964 ( 5.001 4.361 0.684) 6.671 10.125 ( -3.182 9.652 8.332) 13.143 10.283 ( 15.497 5.548 -0.135) 16.461 10.401 ( 14.761 -7.412 -0.181) 16.518 10.570 ( 5.490 11.178 -5.143) 13.473 10.631 ( 8.084 18.609 2.217) 20.409 10.916 ( -5.449 11.808 -0.352) 13.009 11.058 ( -3.649 20.022 2.448) 20.499 11.201 ( -9.655 12.791 -2.285) 16.188 11.414 ( 5.330 12.367 -4.234) 14.116 11.572 ( -8.849 19.345 -6.026) 22.110 11.697 ( -8.680 4.515 -2.769) 10.168 11.793 ( -0.811 9.439 -2.586) 9.820 11.879 ( -1.526 15.401 -4.449) 16.103 12.084 ( 0.538 10.073 2.602) 10.417 12.158 ( -6.057 12.593 2.833) 14.259 12.522 ( 2.112 0.631 -1.631) 2.742 12.610 ( -2.600 -8.371 -0.000) 8.766 12.712 ( 0.866 -4.314 5.329) 6.911 12.820 ( -2.900 5.763 -1.788) 6.695 13.087 ( 0.584 -14.214 -2.661) 14.472 13.162 ( -2.055 -14.093 1.059) 14.281 13.397 ( 6.249 -3.375 0.061) 7.102 13.566 ( -1.594 -12.314 -0.932) 12.452 14.162 ( -0.620 12.586 -3.111) 12.980 14.349 ( -10.082 5.010 -1.908) 11.419 14.676 ( 4.703 7.166 2.118) 8.829 14.820 ( -2.836 -0.979 0.974) 3.154 15.011 ( 2.318 2.527 -2.220) 4.085 15.152 ( -4.460 -5.286 -4.428) 8.212 15.626 ( 11.858 1.254 -7.035) 13.845 15.855 ( 0.144 -18.671 -0.788) 18.689 16.345 ( -3.378 -8.648 -8.798) 12.791 16.439 ( -5.478 7.032 -17.011) 19.205 16.865 ( 4.496 -7.784 -2.474) 9.323 17.042 ( -1.537 -6.361 -5.738) 8.704 17.091 ( 8.339 -3.212 11.617) 14.656 17.434 ( -4.480 -3.633 9.518) 11.129 17.665 ( -1.216 -10.589 10.912) 15.254 17.704 ( -1.266 -9.250 8.662) 12.736 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -11.158 13.451 4.904) 18.151 1.815 ( 11.158 13.451 4.904) 18.151 2.064 ( -11.774 5.422 3.988) 13.562 2.064 ( 11.774 5.422 3.988) 13.562 2.229 ( -4.506 1.868 3.600) 6.062 2.229 ( 4.506 1.868 3.600) 6.062 2.435 ( -4.140 -2.082 -3.245) 5.658 2.435 ( 4.140 -2.082 -3.245) 5.658 2.611 ( -1.357 -0.758 -1.916) 2.467 2.611 ( 1.357 -0.758 -1.916) 2.467 2.768 ( -3.439 -5.828 3.978) 7.849 2.768 ( 3.439 -5.828 3.978) 7.849 2.905 ( -6.934 -6.544 5.947) 11.237 2.905 ( 6.934 -6.544 5.947) 11.237 3.061 ( -4.890 -6.287 -2.711) 8.414 3.061 ( 4.890 -6.287 -2.711) 8.414 3.196 ( -2.342 8.487 0.132) 8.805 3.196 ( 2.342 8.487 0.132) 8.805 3.460 ( -2.538 8.084 -4.053) 9.392 3.460 ( 2.538 8.084 -4.053) 9.392 3.544 ( -3.923 2.808 2.536) 5.450 3.544 ( 3.923 2.808 2.536) 5.450 3.673 ( -4.059 8.928 4.036) 10.605 3.673 ( 4.059 8.928 4.036) 10.605 3.885 ( -4.698 -1.542 -3.175) 5.876 3.885 ( 4.698 -1.542 -3.175) 5.876 3.936 ( -1.433 4.127 0.647) 4.416 3.936 ( 1.433 4.127 0.647) 4.416 4.049 ( -6.557 -5.248 1.309) 8.500 4.049 ( 6.557 -5.248 1.309) 8.500 4.618 ( -7.346 6.477 0.087) 9.794 4.618 ( 7.346 6.477 0.087) 9.794 4.963 ( -12.933 1.264 -0.662) 13.011 4.963 ( 12.933 1.264 -0.662) 13.011 5.094 ( -5.303 0.830 -2.772) 6.041 5.094 ( 5.303 0.830 -2.772) 6.041 5.149 ( -2.358 3.413 0.056) 4.149 5.149 ( 2.358 3.413 0.056) 4.149 5.293 ( -4.153 2.486 -0.284) 4.849 5.293 ( 4.153 2.486 -0.284) 4.849 5.436 ( -1.538 2.840 3.626) 4.856 5.436 ( 1.538 2.840 3.626) 4.856 5.777 ( -5.324 -8.097 0.560) 9.707 5.777 ( 5.324 -8.097 0.560) 9.707 6.246 ( -1.497 22.677 3.412) 22.981 6.246 ( 1.497 22.677 3.412) 22.981 6.521 ( -1.116 16.474 -0.407) 16.517 6.521 ( 1.116 16.474 -0.407) 16.517 7.036 ( -2.170 3.225 -8.876) 9.689 7.036 ( 2.170 3.225 -8.876) 9.689 7.248 ( -2.585 -3.151 -2.551) 4.808 7.248 ( 2.585 -3.151 -2.551) 4.808 7.424 ( -1.841 -0.878 2.967) 3.601 7.424 ( 1.841 -0.878 2.967) 3.601 7.745 ( -2.281 -5.446 -1.944) 6.216 7.745 ( 2.281 -5.446 -1.944) 6.216 7.985 ( -11.581 12.181 -4.187) 17.321 7.985 ( 11.581 12.181 -4.187) 17.321 8.338 ( -8.841 3.026 -1.556) 9.473 8.338 ( 8.841 3.026 -1.556) 9.473 8.579 ( -5.275 21.526 2.326) 22.284 8.579 ( 5.275 21.526 2.326) 22.284 8.889 ( -5.060 -1.061 -1.519) 5.389 8.889 ( 5.060 -1.061 -1.519) 5.389 9.234 ( -4.041 11.579 1.853) 12.403 9.234 ( 4.041 11.579 1.853) 12.403 9.530 ( -16.082 7.397 7.944) 19.402 9.530 ( 16.082 7.397 7.944) 19.402 10.040 ( -3.301 5.904 4.416) 8.078 10.040 ( 3.301 5.904 4.416) 8.078 10.623 ( -6.292 17.623 -8.606) 20.597 10.623 ( 6.292 17.623 -8.606) 20.597 10.715 ( -9.724 -3.884 1.595) 10.592 10.715 ( 9.724 -3.884 1.595) 10.592 10.861 ( -14.498 17.542 -0.253) 22.759 10.861 ( 14.498 17.542 -0.253) 22.759 11.218 ( -17.616 7.682 -4.850) 19.821 11.218 ( 17.616 7.682 -4.850) 19.821 11.555 ( -7.637 13.313 0.140) 15.349 11.555 ( 7.637 13.313 0.140) 15.349 11.830 ( -3.065 12.915 -1.665) 13.378 11.830 ( 3.065 12.915 -1.665) 13.378 12.083 ( -1.086 8.461 4.413) 9.604 12.083 ( 1.086 8.461 4.413) 9.604 12.563 ( -2.152 -0.705 -4.836) 5.341 12.563 ( 2.152 -0.705 -4.836) 5.341 12.753 ( -3.062 1.040 2.465) 4.066 12.753 ( 3.062 1.040 2.465) 4.066 13.117 ( -2.073 -14.962 -0.840) 15.129 13.117 ( 2.073 -14.962 -0.840) 15.129 13.509 ( -4.195 -8.795 0.218) 9.746 13.509 ( 4.195 -8.795 0.218) 9.746 14.192 ( -4.458 9.092 -3.251) 10.635 14.192 ( 4.458 9.092 -3.251) 10.635 14.758 ( -3.415 5.746 3.541) 7.564 14.758 ( 3.415 5.746 3.541) 7.564 15.070 ( -3.487 -2.765 -5.120) 6.784 15.070 ( 3.487 -2.765 -5.120) 6.784 15.816 ( -5.299 -9.084 -3.553) 11.101 15.816 ( 5.299 -9.084 -3.553) 11.101 16.333 ( -3.100 0.418 -11.571) 11.986 16.333 ( 3.100 0.418 -11.571) 11.986 16.968 ( -4.922 -5.284 -3.201) 7.899 16.968 ( 4.922 -5.284 -3.201) 7.899 17.288 ( -9.311 -5.450 7.751) 13.284 17.288 ( 9.311 -5.450 7.751) 13.284 17.670 ( -1.513 -9.910 10.932) 14.833 17.670 ( 1.513 -9.910 10.932) 14.833 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 15.395 4.061) 15.922 1.946 ( 0.000 7.992 5.083) 9.471 2.013 ( 0.000 3.550 5.379) 6.445 2.159 ( 0.000 -4.216 3.549) 5.511 2.219 ( 0.000 2.671 4.941) 5.617 2.335 ( 0.000 -6.252 1.325) 6.391 2.421 ( 0.000 0.988 1.790) 2.045 2.495 ( 0.000 -7.547 1.400) 7.676 2.548 ( 0.000 -3.367 7.329) 8.066 2.585 ( 0.000 -4.383 5.382) 6.941 2.617 ( 0.000 3.785 -0.226) 3.792 2.715 ( 0.000 -5.791 -0.157) 5.793 2.894 ( 0.000 0.786 -1.757) 1.925 2.903 ( 0.000 0.447 0.388) 0.592 2.970 ( 0.000 2.767 -0.075) 2.768 3.114 ( 0.000 -9.378 0.361) 9.385 3.390 ( 0.000 3.150 -7.295) 7.946 3.396 ( 0.000 2.806 -7.554) 8.058 3.455 ( 0.000 4.149 -2.981) 5.109 3.505 ( 0.000 4.148 -3.090) 5.173 3.524 ( 0.000 3.763 -0.637) 3.817 3.528 ( 0.000 -3.527 -3.575) 5.022 3.631 ( 0.000 1.944 -1.819) 2.662 3.690 ( 0.000 -2.775 -0.591) 2.837 3.725 ( 0.000 -3.032 2.906) 4.199 3.759 ( 0.000 -4.941 4.367) 6.594 4.229 ( 0.000 3.631 3.481) 5.030 4.292 ( 0.000 20.757 1.411) 20.805 4.311 ( 0.000 -4.102 5.389) 6.773 4.433 ( 0.000 1.590 -1.972) 2.534 4.456 ( 0.000 3.446 1.406) 3.722 4.488 ( 0.000 9.511 3.289) 10.063 4.557 ( 0.000 -4.130 0.618) 4.176 4.784 ( 0.000 -10.866 3.123) 11.305 5.120 ( 0.000 1.501 -2.992) 3.347 5.146 ( 0.000 -0.952 -3.898) 4.012 5.264 ( 0.000 4.672 -1.410) 4.880 5.312 ( 0.000 3.941 -0.304) 3.953 5.405 ( 0.000 -2.993 0.657) 3.064 5.405 ( 0.000 1.842 -1.147) 2.170 5.458 ( 0.000 3.777 1.124) 3.941 5.497 ( 0.000 1.914 2.630) 3.253 5.547 ( 0.000 -3.236 2.156) 3.888 5.596 ( 0.000 -11.686 2.104) 11.874 6.560 ( 0.000 12.079 -2.720) 12.381 6.662 ( 0.000 1.767 -1.499) 2.317 6.710 ( 0.000 12.435 3.215) 12.844 6.780 ( 0.000 3.619 0.937) 3.739 7.129 ( 0.000 3.477 -7.962) 8.688 7.161 ( 0.000 0.188 -4.033) 4.038 7.180 ( 0.000 8.480 -9.826) 12.980 7.221 ( 0.000 -1.339 -5.681) 5.836 7.420 ( 0.000 0.963 5.034) 5.125 7.539 ( 0.000 -7.905 -2.245) 8.218 7.545 ( 0.000 2.419 -4.075) 4.739 7.663 ( 0.000 -8.317 -2.859) 8.794 8.094 ( 0.000 5.797 11.967) 13.297 8.161 ( 0.000 -0.650 4.674) 4.719 8.450 ( 0.000 3.035 -2.834) 4.152 8.484 ( 0.000 -0.615 -4.274) 4.318 8.697 ( 0.000 6.683 1.063) 6.767 8.832 ( 0.000 -6.221 2.640) 6.758 8.923 ( 0.000 1.515 8.335) 8.471 8.926 ( 0.000 0.191 7.701) 7.704 9.084 ( 0.000 11.877 -2.387) 12.114 9.249 ( 0.000 -4.681 -5.925) 7.551 9.573 ( 0.000 21.581 0.939) 21.601 9.876 ( 0.000 8.203 -1.129) 8.280 9.917 ( 0.000 -12.520 0.213) 12.521 10.047 ( 0.000 -5.637 3.157) 6.461 10.296 ( 0.000 12.818 -3.790) 13.366 10.494 ( 0.000 -3.647 -5.595) 6.679 10.532 ( 0.000 10.436 12.088) 15.970 10.681 ( 0.000 -4.166 8.769) 9.709 11.311 ( 0.000 15.316 -6.803) 16.759 11.446 ( 0.000 0.154 -11.334) 11.335 11.570 ( 0.000 18.993 1.581) 19.058 11.598 ( 0.000 14.901 9.918) 17.900 11.819 ( 0.000 0.405 3.924) 3.945 11.882 ( 0.000 -2.038 -8.868) 9.099 12.053 ( 0.000 8.294 -7.749) 11.350 12.102 ( 0.000 5.636 -11.618) 12.912 12.366 ( 0.000 -3.436 4.144) 5.383 12.412 ( 0.000 -6.816 3.129) 7.500 12.438 ( 0.000 19.207 3.217) 19.474 12.489 ( 0.000 3.707 0.335) 3.723 12.699 ( 0.000 -10.245 -2.948) 10.661 12.806 ( 0.000 0.392 0.964) 1.041 12.879 ( 0.000 -4.045 6.659) 7.791 13.090 ( 0.000 8.973 -2.843) 9.412 13.197 ( 0.000 -12.336 2.594) 12.606 13.317 ( 0.000 -13.561 -3.140) 13.920 14.404 ( 0.000 8.767 -7.891) 11.795 14.562 ( 0.000 -7.020 -8.238) 10.824 14.719 ( 0.000 7.417 -0.623) 7.444 14.721 ( 0.000 0.959 -7.025) 7.091 15.065 ( 0.000 5.193 1.596) 5.433 15.350 ( 0.000 15.431 4.233) 16.001 15.387 ( 0.000 -21.031 3.153) 21.266 15.547 ( 0.000 -2.571 -2.038) 3.281 16.235 ( 0.000 -4.326 -10.727) 11.566 16.346 ( 0.000 -13.103 -11.825) 17.650 16.793 ( 0.000 6.038 -13.424) 14.720 16.918 ( 0.000 -6.445 -11.799) 13.445 17.149 ( 0.000 11.841 14.952) 19.073 17.399 ( 0.000 -10.894 13.363) 17.241 17.497 ( 0.000 -1.237 10.422) 10.495 17.570 ( 0.000 -6.349 10.637) 12.388 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 8.467 13.287 1.652) 15.842 1.997 ( 4.475 6.043 5.841) 9.522 2.035 ( 1.544 3.751 5.272) 6.652 2.149 ( -1.017 -3.391 3.265) 4.816 2.215 ( 0.351 3.029 4.751) 5.645 2.324 ( 0.974 -4.810 1.346) 5.089 2.476 ( 2.233 2.903 -0.401) 3.684 2.530 ( -6.434 2.158 0.067) 6.786 2.553 ( 2.413 -5.487 3.921) 7.163 2.583 ( 3.124 -3.499 3.546) 5.881 2.619 ( 0.190 -2.546 0.943) 2.721 2.659 ( -0.861 -5.927 3.768) 7.076 2.788 ( -5.355 3.644 -0.536) 6.500 2.881 ( -2.775 -4.864 0.878) 5.668 2.932 ( -4.645 -0.275 2.822) 5.441 3.027 ( -6.793 -8.333 0.686) 10.773 3.377 ( -0.430 4.286 -4.183) 6.004 3.392 ( -1.147 4.014 -4.908) 6.443 3.458 ( 0.506 4.704 -4.025) 6.211 3.528 ( 2.347 4.612 -1.124) 5.295 3.550 ( 0.125 2.409 -1.968) 3.113 3.587 ( -1.760 -5.178 -0.048) 5.469 3.667 ( 3.210 -2.061 -2.220) 4.413 3.681 ( 2.269 -2.464 -2.895) 4.427 3.700 ( 4.389 -0.174 1.037) 4.513 3.790 ( 1.275 -6.635 1.559) 6.934 4.101 ( -9.601 1.884 -1.283) 9.868 4.145 ( -10.784 -2.834 1.400) 11.238 4.290 ( 0.926 19.672 4.282) 20.154 4.378 ( -2.200 21.427 5.441) 22.216 4.507 ( 6.001 -2.922 1.266) 6.793 4.703 ( 12.785 2.189 0.478) 12.980 4.734 ( 1.506 -9.499 1.493) 9.733 4.795 ( 9.933 -5.617 0.373) 11.417 5.130 ( 0.056 1.632 -3.911) 4.238 5.165 ( -0.229 -1.941 -4.258) 4.685 5.233 ( -2.828 5.024 0.120) 5.766 5.259 ( -5.816 3.683 0.445) 6.898 5.304 ( -2.592 -0.468 -0.129) 2.637 5.367 ( -4.818 -4.535 -0.131) 6.618 5.480 ( 1.183 4.240 2.133) 4.891 5.504 ( 0.568 3.094 2.265) 3.876 5.577 ( 1.930 -4.297 2.049) 5.137 5.614 ( 0.857 -9.647 1.614) 9.818 6.571 ( 1.115 12.537 -0.951) 12.622 6.663 ( -2.075 10.184 1.855) 10.557 6.690 ( 0.629 3.819 0.077) 3.871 6.757 ( -1.892 3.006 1.376) 3.809 7.129 ( -1.135 4.230 -7.739) 8.893 7.144 ( 0.839 3.424 -6.240) 7.167 7.174 ( -0.268 2.360 -4.221) 4.844 7.238 ( 0.046 -0.503 -4.536) 4.565 7.415 ( -0.372 1.566 4.619) 4.891 7.499 ( -3.173 2.996 -2.367) 4.964 7.555 ( 0.763 -8.362 -1.751) 8.578 7.636 ( -2.376 -8.871 -2.117) 9.425 8.077 ( 1.437 8.790 5.272) 10.350 8.197 ( 3.957 -2.978 1.492) 5.172 8.405 ( -7.593 4.631 -5.214) 10.309 8.462 ( -3.632 -0.857 -2.185) 4.324 8.781 ( -0.087 5.892 -2.180) 6.283 8.811 ( 3.723 2.066 3.422) 5.463 8.837 ( -1.105 0.804 3.097) 3.385 8.909 ( 0.231 -4.362 -4.332) 6.152 9.273 ( 13.306 10.563 8.094) 18.819 9.357 ( 8.555 0.761 3.940) 9.449 9.563 ( -1.107 17.600 1.854) 17.732 9.840 ( -6.607 -8.587 0.757) 10.861 10.016 ( 9.642 7.090 3.056) 12.352 10.202 ( 11.391 -10.139 1.760) 15.350 10.385 ( -9.146 13.757 9.827) 19.222 10.467 ( 18.271 12.120 -6.282) 22.808 10.582 ( 2.960 -5.272 -0.360) 6.057 10.713 ( 4.964 -9.520 0.407) 10.744 11.255 ( -5.255 15.561 -8.489) 18.488 11.362 ( -10.775 3.117 -12.127) 16.519 11.526 ( -2.481 22.193 4.794) 22.840 11.633 ( 1.126 8.151 5.179) 9.723 11.750 ( -7.739 2.616 0.553) 8.188 11.826 ( -4.341 -0.274 -1.084) 4.482 12.023 ( 0.588 11.391 -5.163) 12.521 12.102 ( 0.717 4.039 -5.565) 6.913 12.288 ( -7.667 0.847 3.736) 8.571 12.318 ( -9.160 3.772 6.913) 12.080 12.448 ( 2.759 4.982 -0.686) 5.737 12.497 ( 1.283 3.615 0.580) 3.880 12.721 ( 1.682 -15.979 -3.692) 16.486 12.825 ( -0.302 -15.199 1.151) 15.246 12.855 ( 0.763 12.701 1.539) 12.816 13.034 ( -4.102 9.761 -2.709) 10.929 13.225 ( 1.179 -14.682 1.898) 14.851 13.295 ( -1.846 -13.894 -2.685) 14.271 14.403 ( 0.769 11.904 -7.143) 13.904 14.541 ( -3.578 9.999 -7.212) 12.837 14.671 ( 0.825 -8.275 -4.705) 9.555 14.760 ( -0.367 -3.335 -5.952) 6.832 15.096 ( 3.036 9.210 2.934) 10.131 15.274 ( -4.777 15.095 3.404) 16.194 15.437 ( 3.404 -20.747 3.722) 21.351 15.564 ( -0.403 -10.607 -0.200) 10.617 16.289 ( 7.254 5.388 -11.473) 14.604 16.482 ( 9.061 -8.574 -14.313) 18.986 16.733 ( -4.725 3.104 -11.821) 13.104 16.884 ( -3.675 -8.865 -13.139) 16.270 17.194 ( 4.170 10.032 14.861) 18.409 17.410 ( -0.216 -5.008 13.567) 14.463 17.444 ( -3.443 -4.765 11.596) 13.001 17.537 ( -2.933 -7.532 11.526) 14.078 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -2.464 7.407 4.879) 9.205 2.032 ( 2.464 7.407 4.879) 9.205 2.106 ( -4.006 -0.772 2.527) 4.799 2.106 ( 4.006 -0.772 2.527) 4.799 2.304 ( -9.780 6.194 1.366) 11.657 2.304 ( 9.780 6.194 1.366) 11.657 2.412 ( -7.119 -2.240 -1.009) 7.531 2.412 ( 7.119 -2.240 -1.009) 7.531 2.607 ( -2.380 0.287 2.276) 3.306 2.607 ( 2.380 0.287 2.276) 3.306 2.669 ( -1.079 -4.565 1.703) 4.990 2.669 ( 1.079 -4.565 1.703) 4.990 2.788 ( -7.209 -0.779 4.922) 8.764 2.788 ( 7.209 -0.779 4.922) 8.764 2.894 ( -4.851 -8.619 2.208) 10.133 2.894 ( 4.851 -8.619 2.208) 10.133 3.376 ( -0.964 8.001 -3.543) 8.803 3.376 ( 0.964 8.001 -3.543) 8.803 3.484 ( -3.052 -2.542 -2.235) 4.558 3.484 ( 3.052 -2.542 -2.235) 4.558 3.572 ( -1.417 3.344 -0.091) 3.634 3.572 ( 1.417 3.344 -0.091) 3.634 3.687 ( -1.200 -6.606 -0.313) 6.722 3.687 ( 1.200 -6.606 -0.313) 6.722 3.878 ( -6.087 2.117 -2.876) 7.058 3.878 ( 6.087 2.117 -2.876) 7.058 3.936 ( -5.852 -3.679 -1.327) 7.039 3.936 ( 5.852 -3.679 -1.327) 7.039 4.331 ( -2.510 23.062 5.209) 23.776 4.331 ( 2.510 23.062 5.209) 23.776 4.643 ( -6.437 -6.461 2.144) 9.369 4.643 ( 6.437 -6.461 2.144) 9.369 4.977 ( -12.469 1.701 -1.004) 12.624 4.977 ( 12.469 1.701 -1.004) 12.624 5.049 ( -10.397 -4.572 -3.048) 11.760 5.049 ( 10.397 -4.572 -3.048) 11.760 5.215 ( -0.663 4.074 -0.654) 4.180 5.215 ( 0.663 4.074 -0.654) 4.180 5.294 ( -2.031 -2.966 0.657) 3.654 5.294 ( 2.031 -2.966 0.657) 3.654 5.501 ( -0.810 4.294 2.289) 4.933 5.501 ( 0.810 4.294 2.289) 4.933 5.611 ( -1.134 -7.246 1.527) 7.492 5.611 ( 1.134 -7.246 1.527) 7.492 6.608 ( -2.464 12.748 1.621) 13.084 6.608 ( 2.464 12.748 1.621) 13.084 6.719 ( -1.640 2.003 0.823) 2.716 6.719 ( 1.640 2.003 0.823) 2.716 7.133 ( -1.338 5.445 -5.860) 8.111 7.133 ( 1.338 5.445 -5.860) 8.111 7.205 ( -2.683 -1.836 -3.068) 4.470 7.205 ( 2.683 -1.836 -3.068) 4.470 7.433 ( -2.531 3.815 1.592) 4.847 7.433 ( 2.531 3.815 1.592) 4.847 7.586 ( -2.197 -9.607 -1.829) 10.023 7.586 ( 2.197 -9.607 -1.829) 10.023 8.198 ( -9.722 8.977 -2.500) 13.466 8.198 ( 9.722 8.977 -2.500) 13.466 8.324 ( -7.882 -3.745 -1.664) 8.884 8.324 ( 7.882 -3.745 -1.664) 8.884 8.827 ( -2.651 4.997 -0.771) 5.708 8.827 ( 2.651 4.997 -0.771) 5.708 8.872 ( -3.297 -0.912 -1.885) 3.905 8.872 ( 3.297 -0.912 -1.885) 3.905 9.489 ( -5.102 11.729 3.090) 13.158 9.489 ( 5.102 11.729 3.090) 13.158 9.622 ( -14.075 -0.658 7.270) 15.855 9.622 ( 14.075 -0.658 7.270) 15.855 10.185 ( -8.036 11.979 7.127) 16.089 10.185 ( 8.036 11.979 7.127) 16.089 10.470 ( -11.090 -14.450 4.284) 18.712 10.470 ( 11.090 -14.450 4.284) 18.712 10.937 ( -14.463 9.290 -11.490) 20.676 10.937 ( 14.463 9.290 -11.490) 20.676 11.042 ( -7.420 -0.674 -11.841) 13.990 11.042 ( 7.420 -0.674 -11.841) 13.990 11.523 ( -3.953 20.714 4.962) 21.664 11.523 ( 3.953 20.714 4.962) 21.664 11.744 ( -3.775 1.705 5.938) 7.240 11.744 ( 3.775 1.705 5.938) 7.240 12.111 ( -5.660 9.864 -2.302) 11.603 12.111 ( 5.660 9.864 -2.302) 11.603 12.164 ( -2.052 0.484 3.268) 3.889 12.164 ( 2.052 0.484 3.268) 3.889 12.499 ( -1.382 2.429 -1.175) 3.032 12.499 ( 1.382 2.429 -1.175) 3.032 12.770 ( -3.006 -17.632 -1.425) 17.943 12.770 ( 3.006 -17.632 -1.425) 17.943 12.939 ( -5.118 13.558 -1.260) 14.547 12.939 ( 5.118 13.558 -1.260) 14.547 13.252 ( -1.951 -16.109 -0.820) 16.247 13.252 ( 1.951 -16.109 -0.820) 16.247 14.452 ( -3.909 15.458 -6.384) 17.175 14.452 ( 3.909 15.458 -6.384) 17.175 14.720 ( -2.839 -10.049 -6.448) 12.273 14.720 ( 2.839 -10.049 -6.448) 12.273 15.178 ( -4.585 13.824 3.707) 15.029 15.178 ( 4.585 13.824 3.707) 15.029 15.514 ( -3.721 -18.597 2.265) 19.100 15.514 ( 3.721 -18.597 2.265) 19.100 16.485 ( -9.235 12.713 -14.011) 21.053 16.485 ( 9.235 12.713 -14.011) 21.053 16.762 ( -7.479 -14.078 -12.854) 20.478 16.762 ( 7.479 -14.078 -12.854) 20.478 17.306 ( -6.325 6.014 14.264) 16.722 17.306 ( 6.325 6.014 14.264) 16.722 17.471 ( -3.046 -9.925 12.724) 16.422 17.471 ( 3.046 -9.925 12.724) 16.422 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 0.000 23.117) 23.117 1.281 ( 0.000 0.000 28.212) 28.212 1.897 ( 0.000 0.000 10.602) 10.602 1.955 ( 0.000 0.000 0.403) 0.403 2.004 ( 0.000 0.000 43.398) 43.398 2.108 ( 0.000 0.000 9.504) 9.504 2.279 ( 0.000 0.000 5.389) 5.389 2.332 ( 0.000 0.000 -6.685) 6.685 2.388 ( 0.000 0.000 3.559) 3.559 2.532 ( 0.000 0.000 -7.049) 7.049 2.614 ( 0.000 0.000 -2.714) 2.714 2.758 ( 0.000 0.000 -7.477) 7.477 2.848 ( 0.000 0.000 -9.783) 9.783 2.935 ( 0.000 0.000 -6.869) 6.869 2.952 ( 0.000 0.000 -9.910) 9.910 2.963 ( 0.000 0.000 0.616) 0.616 3.044 ( 0.000 0.000 0.905) 0.905 3.177 ( 0.000 0.000 1.120) 1.120 3.276 ( 0.000 0.000 -5.953) 5.953 3.278 ( 0.000 0.000 -8.627) 8.627 3.356 ( 0.000 0.000 -3.570) 3.570 3.672 ( 0.000 0.000 -1.931) 1.931 3.691 ( 0.000 0.000 7.838) 7.838 3.858 ( 0.000 0.000 5.990) 5.990 3.908 ( 0.000 0.000 7.012) 7.012 4.007 ( 0.000 0.000 -0.257) 0.257 4.029 ( 0.000 0.000 3.943) 3.943 4.112 ( 0.000 0.000 -3.932) 3.932 4.123 ( 0.000 0.000 -1.596) 1.596 4.243 ( 0.000 0.000 -0.339) 0.339 4.280 ( 0.000 0.000 -1.804) 1.804 4.358 ( 0.000 0.000 -4.991) 4.991 4.487 ( 0.000 0.000 8.599) 8.599 4.488 ( 0.000 0.000 -1.222) 1.222 4.627 ( 0.000 0.000 0.571) 0.571 4.741 ( 0.000 0.000 4.096) 4.096 4.782 ( 0.000 0.000 -2.564) 2.564 4.834 ( 0.000 0.000 5.237) 5.237 4.968 ( 0.000 0.000 -4.537) 4.537 5.036 ( 0.000 0.000 -3.895) 3.895 5.374 ( 0.000 0.000 3.598) 3.598 5.406 ( 0.000 0.000 1.484) 1.484 5.491 ( 0.000 0.000 -5.982) 5.982 5.652 ( 0.000 0.000 7.199) 7.199 5.664 ( 0.000 0.000 1.314) 1.314 5.680 ( 0.000 0.000 -0.577) 0.577 5.755 ( 0.000 0.000 -10.053) 10.053 6.183 ( 0.000 0.000 -5.952) 5.952 6.403 ( 0.000 0.000 17.165) 17.165 6.824 ( 0.000 0.000 2.684) 2.684 6.991 ( 0.000 0.000 14.540) 14.540 7.014 ( 0.000 0.000 -1.807) 1.807 7.134 ( 0.000 0.000 -1.146) 1.146 7.232 ( 0.000 0.000 -5.649) 5.649 7.335 ( 0.000 0.000 -7.601) 7.601 7.670 ( 0.000 0.000 -9.571) 9.571 7.787 ( 0.000 0.000 -8.998) 8.998 7.841 ( 0.000 0.000 -4.471) 4.471 8.029 ( 0.000 0.000 7.770) 7.770 8.071 ( 0.000 0.000 -3.604) 3.604 8.292 ( 0.000 0.000 3.809) 3.809 8.350 ( 0.000 0.000 5.189) 5.189 8.683 ( 0.000 0.000 6.092) 6.092 8.686 ( 0.000 0.000 -12.011) 12.011 8.746 ( 0.000 0.000 6.168) 6.168 8.976 ( 0.000 0.000 9.017) 9.017 8.990 ( 0.000 0.000 -2.402) 2.402 9.103 ( 0.000 0.000 0.946) 0.946 9.212 ( 0.000 0.000 -0.214) 0.214 9.348 ( 0.000 0.000 -12.072) 12.072 10.028 ( 0.000 0.000 -1.869) 1.869 10.199 ( 0.000 0.000 -3.500) 3.500 10.278 ( 0.000 0.000 -9.634) 9.634 10.418 ( 0.000 0.000 -2.700) 2.700 10.531 ( 0.000 0.000 0.299) 0.299 10.679 ( 0.000 0.000 2.094) 2.094 10.818 ( 0.000 0.000 9.762) 9.762 10.888 ( 0.000 0.000 9.132) 9.132 11.174 ( 0.000 0.000 -16.683) 16.683 11.265 ( 0.000 0.000 -0.217) 0.217 11.272 ( 0.000 0.000 -10.803) 10.803 11.400 ( 0.000 0.000 -0.362) 0.362 11.483 ( 0.000 0.000 -4.659) 4.659 11.526 ( 0.000 0.000 -7.757) 7.757 12.730 ( 0.000 0.000 8.388) 8.388 12.756 ( 0.000 0.000 7.924) 7.924 12.916 ( 0.000 0.000 -1.262) 1.262 12.951 ( 0.000 0.000 -2.314) 2.314 13.123 ( 0.000 0.000 16.218) 16.218 13.510 ( 0.000 0.000 0.794) 0.794 13.563 ( 0.000 0.000 4.916) 4.916 13.984 ( 0.000 0.000 8.360) 8.360 14.010 ( 0.000 0.000 4.571) 4.571 14.282 ( 0.000 0.000 -3.209) 3.209 14.337 ( 0.000 0.000 -6.877) 6.877 14.820 ( 0.000 0.000 -21.930) 21.930 15.001 ( 0.000 0.000 2.755) 2.755 15.022 ( 0.000 0.000 -8.396) 8.396 15.605 ( 0.000 0.000 6.929) 6.929 15.935 ( 0.000 0.000 7.659) 7.659 16.367 ( 0.000 0.000 -9.408) 9.408 16.533 ( 0.000 0.000 -5.636) 5.636 17.222 ( 0.000 0.000 7.386) 7.386 17.360 ( 0.000 0.000 -1.386) 1.386 17.518 ( 0.000 0.000 3.104) 3.104 17.838 ( 0.000 0.000 -3.399) 3.399 18.093 ( 0.000 0.000 6.899) 6.899 18.223 ( 0.000 0.000 3.662) 3.662 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 7.778 0.000 20.805) 22.211 1.274 ( 4.241 0.000 26.901) 27.233 1.620 ( -14.928 0.000 11.779) 19.016 1.900 ( -16.745 0.000 11.101) 20.091 2.173 ( 9.233 0.000 -5.363) 10.678 2.263 ( 12.452 0.000 22.160) 25.419 2.291 ( 0.939 0.000 5.598) 5.677 2.367 ( 1.906 0.000 -6.202) 6.488 2.434 ( 8.325 0.000 9.155) 12.374 2.562 ( 0.771 0.000 -5.490) 5.544 2.590 ( 0.574 0.000 -5.193) 5.225 2.669 ( -3.060 0.000 -2.838) 4.174 2.803 ( -0.871 0.000 -5.035) 5.110 2.895 ( -6.095 0.000 2.628) 6.638 2.919 ( -3.282 0.000 -2.288) 4.001 3.048 ( 2.017 0.000 0.360) 2.049 3.058 ( 7.501 0.000 -7.556) 10.648 3.181 ( -2.940 0.000 -2.194) 3.668 3.256 ( -2.082 0.000 -8.112) 8.375 3.350 ( 6.474 0.000 -1.369) 6.617 3.411 ( 5.416 0.000 -4.195) 6.851 3.668 ( -3.515 0.000 0.058) 3.516 3.685 ( 0.137 0.000 7.850) 7.852 3.820 ( -5.814 0.000 6.347) 8.607 3.862 ( -8.621 0.000 0.059) 8.622 3.923 ( -20.502 0.000 14.599) 25.169 3.935 ( 6.234 0.000 2.716) 6.800 4.100 ( -1.143 0.000 0.100) 1.147 4.132 ( -0.148 0.000 4.471) 4.474 4.160 ( 0.506 0.000 -4.812) 4.838 4.241 ( 1.593 0.000 2.194) 2.711 4.359 ( -0.644 0.000 -1.952) 2.056 4.404 ( 3.248 0.000 -8.824) 9.403 4.566 ( -2.782 0.000 -0.318) 2.800 4.637 ( 1.423 0.000 -1.287) 1.918 4.757 ( -2.490 0.000 -2.781) 3.733 4.811 ( 5.266 0.000 1.895) 5.596 4.953 ( -0.557 0.000 -4.523) 4.557 4.996 ( 7.135 0.000 0.537) 7.155 5.081 ( 3.995 0.000 -3.826) 5.532 5.379 ( 1.459 0.000 3.500) 3.792 5.427 ( 2.309 0.000 2.484) 3.392 5.466 ( -1.542 0.000 -4.602) 4.854 5.573 ( -4.012 0.000 4.825) 6.275 5.649 ( -0.408 0.000 0.072) 0.414 5.697 ( -0.083 0.000 1.015) 1.019 5.891 ( 8.286 0.000 -6.690) 10.650 6.134 ( -3.942 0.000 -3.860) 5.518 6.484 ( 6.753 0.000 11.103) 12.995 6.736 ( -5.087 0.000 5.048) 7.166 7.017 ( 0.552 0.000 -1.278) 1.392 7.102 ( -2.581 0.000 -0.653) 2.662 7.164 ( 12.730 0.000 7.478) 14.764 7.260 ( 2.089 0.000 -6.216) 6.557 7.329 ( -0.762 0.000 -7.252) 7.292 7.593 ( -3.941 0.000 -3.294) 5.136 7.706 ( -9.141 0.000 -8.677) 12.604 7.905 ( -10.758 0.000 12.304) 16.344 7.906 ( 5.964 0.000 -3.540) 6.935 8.086 ( 1.532 0.000 -3.413) 3.741 8.220 ( -6.922 0.000 1.360) 7.055 8.276 ( -4.602 0.000 3.774) 5.952 8.631 ( 2.932 0.000 -7.600) 8.146 8.786 ( 6.960 0.000 4.518) 8.297 8.896 ( 6.067 0.000 -3.779) 7.148 8.994 ( 0.411 0.000 -1.004) 1.085 9.046 ( 4.756 0.000 5.882) 7.564 9.088 ( -1.182 0.000 0.594) 1.323 9.179 ( -3.043 0.000 -0.312) 3.059 9.291 ( -5.388 0.000 -2.627) 5.994 9.932 ( -2.167 0.000 0.647) 2.261 10.145 ( -1.005 0.000 1.874) 2.127 10.246 ( -7.524 0.000 -7.143) 10.375 10.513 ( -11.145 0.000 10.027) 14.992 10.589 ( 8.881 0.000 -3.838) 9.675 10.599 ( 6.540 0.000 -3.410) 7.376 10.777 ( 7.321 0.000 -2.376) 7.697 10.987 ( -0.843 0.000 2.971) 3.088 11.085 ( -7.269 0.000 -12.700) 14.633 11.207 ( -6.409 0.000 -10.554) 12.347 11.267 ( 0.378 0.000 -0.951) 1.024 11.354 ( -2.865 0.000 -1.237) 3.120 11.511 ( 1.637 0.000 -3.525) 3.887 11.531 ( 0.377 0.000 -6.065) 6.077 12.786 ( 3.639 0.000 9.417) 10.095 12.898 ( 6.334 0.000 8.345) 10.476 12.913 ( 1.453 0.000 0.168) 1.462 12.987 ( 1.034 0.000 -0.747) 1.275 13.141 ( 5.839 0.000 6.863) 9.010 13.478 ( -3.540 0.000 -0.552) 3.582 13.617 ( 4.870 0.000 6.087) 7.796 13.889 ( -7.151 0.000 7.821) 10.597 14.050 ( 3.740 0.000 2.685) 4.604 14.244 ( -3.572 0.000 -2.634) 4.438 14.448 ( 8.575 0.000 -9.808) 13.028 14.780 ( -4.450 0.000 -22.657) 23.090 14.940 ( -3.667 0.000 -2.230) 4.292 14.986 ( -2.912 0.000 3.773) 4.766 15.662 ( 4.773 0.000 4.956) 6.881 15.873 ( -4.626 0.000 4.938) 6.766 16.482 ( 7.928 0.000 -8.382) 11.538 16.567 ( 2.619 0.000 -5.960) 6.510 17.199 ( -1.470 0.000 5.651) 5.839 17.293 ( -5.017 0.000 -0.950) 5.106 17.587 ( 4.982 0.000 2.772) 5.701 17.780 ( -4.444 0.000 0.535) 4.476 18.121 ( 2.089 0.000 6.014) 6.366 18.204 ( -1.619 0.000 4.692) 4.964 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -12.867 0.000 16.182) 20.674 1.331 ( 12.867 0.000 16.182) 20.674 1.518 ( -17.899 0.000 16.840) 24.576 1.518 ( 17.899 0.000 16.840) 24.576 2.314 ( -1.336 0.000 4.893) 5.072 2.314 ( 1.336 0.000 4.893) 5.072 2.321 ( -5.677 0.000 -10.602) 12.026 2.321 ( 5.677 0.000 -10.602) 12.026 2.538 ( -1.498 0.000 -8.730) 8.858 2.538 ( 1.498 0.000 -8.730) 8.858 2.738 ( -7.913 0.000 4.632) 9.169 2.738 ( 7.913 0.000 4.632) 9.169 2.783 ( -6.821 0.000 3.761) 7.789 2.783 ( 6.821 0.000 3.761) 7.789 2.971 ( -11.185 0.000 3.982) 11.873 2.971 ( 11.185 0.000 3.982) 11.873 3.187 ( -4.824 0.000 -7.742) 9.122 3.187 ( 4.824 0.000 -7.742) 9.122 3.285 ( -15.550 0.000 12.494) 19.948 3.285 ( 15.550 0.000 12.494) 19.948 3.502 ( -1.589 0.000 -4.084) 4.382 3.502 ( 1.589 0.000 -4.084) 4.382 3.719 ( -3.429 0.000 7.122) 7.905 3.719 ( 3.429 0.000 7.122) 7.905 3.738 ( -2.569 0.000 2.051) 3.288 3.738 ( 2.569 0.000 2.051) 3.288 4.078 ( -6.689 0.000 -1.830) 6.934 4.078 ( 6.689 0.000 -1.830) 6.934 4.119 ( -1.930 0.000 2.042) 2.810 4.119 ( 1.930 0.000 2.042) 2.810 4.315 ( -3.597 0.000 1.270) 3.814 4.315 ( 3.597 0.000 1.270) 3.814 4.485 ( -4.300 0.000 -3.354) 5.453 4.485 ( 4.300 0.000 -3.354) 5.453 4.691 ( -3.458 0.000 -2.827) 4.466 4.691 ( 3.458 0.000 -2.827) 4.466 4.909 ( -3.646 0.000 -1.666) 4.009 4.909 ( 3.646 0.000 -1.666) 4.009 5.092 ( -3.025 0.000 -6.004) 6.723 5.092 ( 3.025 0.000 -6.004) 6.723 5.437 ( -2.314 0.000 -0.181) 2.321 5.437 ( 2.314 0.000 -0.181) 2.321 5.495 ( -3.847 0.000 4.324) 5.788 5.495 ( 3.847 0.000 4.324) 5.788 5.665 ( -2.139 0.000 1.655) 2.704 5.665 ( 2.139 0.000 1.655) 2.704 6.036 ( -5.749 0.000 -4.833) 7.511 6.036 ( 5.749 0.000 -4.833) 7.511 6.628 ( -6.211 0.000 5.433) 8.252 6.628 ( 6.211 0.000 5.433) 8.252 7.047 ( -2.403 0.000 -0.420) 2.439 7.047 ( 2.403 0.000 -0.420) 2.439 7.302 ( -1.805 0.000 -6.851) 7.085 7.302 ( 1.805 0.000 -6.851) 7.085 7.436 ( -12.724 0.000 -5.386) 13.817 7.436 ( 12.724 0.000 -5.386) 13.817 7.668 ( -9.007 0.000 12.215) 15.177 7.668 ( 9.007 0.000 12.215) 15.177 8.051 ( -7.011 0.000 0.459) 7.026 8.051 ( 7.011 0.000 0.459) 7.026 8.171 ( -4.527 0.000 -3.579) 5.771 8.171 ( 4.527 0.000 -3.579) 5.771 8.774 ( -7.870 0.000 -7.421) 10.817 8.774 ( 7.870 0.000 -7.421) 10.817 8.990 ( -4.296 0.000 2.324) 4.884 8.990 ( 4.296 0.000 2.324) 4.884 9.102 ( -3.761 0.000 -1.190) 3.945 9.102 ( 3.761 0.000 -1.190) 3.945 9.156 ( -6.474 0.000 5.242) 8.330 9.156 ( 6.474 0.000 5.242) 8.330 10.037 ( -10.264 0.000 -2.220) 10.501 10.037 ( 10.264 0.000 -2.220) 10.501 10.236 ( -10.168 0.000 9.046) 13.610 10.236 ( 10.168 0.000 9.046) 13.610 10.806 ( -8.944 0.000 -10.156) 13.533 10.806 ( 8.944 0.000 -10.156) 13.533 10.840 ( -11.538 0.000 -4.249) 12.296 10.840 ( 11.538 0.000 -4.249) 12.296 11.042 ( -7.369 0.000 -6.592) 9.887 11.042 ( 7.369 0.000 -6.592) 9.887 11.299 ( -2.500 0.000 -0.616) 2.575 11.299 ( 2.500 0.000 -0.616) 2.575 11.533 ( -0.411 0.000 -4.124) 4.145 11.533 ( 0.411 0.000 -4.124) 4.145 12.875 ( -4.510 0.000 12.102) 12.915 12.875 ( 4.510 0.000 12.102) 12.915 12.966 ( -2.704 0.000 1.140) 2.934 12.966 ( 2.704 0.000 1.140) 2.934 13.348 ( -9.539 0.000 -2.362) 9.827 13.348 ( 9.539 0.000 -2.362) 9.827 13.741 ( -6.904 0.000 7.167) 9.952 13.741 ( 6.904 0.000 7.167) 9.952 14.148 ( -5.338 0.000 -0.631) 5.375 14.148 ( 5.338 0.000 -0.631) 5.375 14.633 ( -8.920 0.000 -17.633) 19.760 14.633 ( 8.920 0.000 -17.633) 19.760 14.927 ( -2.011 0.000 3.134) 3.724 14.927 ( 2.011 0.000 3.134) 3.724 15.770 ( -5.354 0.000 3.506) 6.400 15.770 ( 5.354 0.000 3.506) 6.400 16.590 ( -1.664 0.000 -6.891) 7.089 16.590 ( 1.664 0.000 -6.891) 7.089 17.204 ( -2.625 0.000 1.776) 3.169 17.204 ( 2.625 0.000 1.776) 3.169 17.687 ( -4.634 0.000 2.733) 5.380 17.687 ( 4.634 0.000 2.733) 5.380 18.165 ( -2.132 0.000 5.720) 6.104 18.165 ( 2.132 0.000 5.720) 6.104 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 5.540 26.304) 26.881 1.352 ( 0.000 22.730 18.285) 29.171 2.054 ( 0.000 10.470 13.702) 17.244 2.125 ( 0.000 6.421 11.610) 13.267 2.128 ( 0.000 12.076 0.501) 12.086 2.164 ( 0.000 15.089 27.768) 31.603 2.275 ( 0.000 -0.257 5.114) 5.120 2.360 ( 0.000 2.692 -1.253) 2.970 2.434 ( 0.000 6.588 -0.677) 6.622 2.546 ( 0.000 2.640 -5.883) 6.448 2.581 ( 0.000 -1.312 -2.557) 2.874 2.806 ( 0.000 -5.356 -8.128) 9.734 2.831 ( 0.000 2.477 -6.293) 6.763 2.865 ( 0.000 -4.415 -11.091) 11.937 2.966 ( 0.000 -0.217 -3.026) 3.034 2.996 ( 0.000 5.400 1.230) 5.538 3.056 ( 0.000 1.317 -0.520) 1.416 3.158 ( 0.000 -1.321 2.178) 2.547 3.269 ( 0.000 -0.498 -5.625) 5.647 3.301 ( 0.000 1.469 -5.003) 5.214 3.371 ( 0.000 3.227 -4.658) 5.667 3.636 ( 0.000 -1.868 -2.136) 2.838 3.816 ( 0.000 -2.790 5.508) 6.174 3.893 ( 0.000 -1.169 3.875) 4.047 3.935 ( 0.000 3.484 3.883) 5.217 3.977 ( 0.000 -1.888 -1.217) 2.246 4.027 ( 0.000 9.945 4.315) 10.841 4.070 ( 0.000 -4.780 -1.525) 5.018 4.214 ( 0.000 -3.481 -2.446) 4.254 4.278 ( 0.000 8.353 1.587) 8.502 4.402 ( 0.000 15.998 2.101) 16.136 4.484 ( 0.000 0.983 2.692) 2.866 4.550 ( 0.000 -6.115 2.404) 6.571 4.593 ( 0.000 7.814 0.551) 7.834 4.613 ( 0.000 19.113 -3.527) 19.435 4.777 ( 0.000 -2.395 2.859) 3.730 4.798 ( 0.000 10.761 3.686) 11.375 4.936 ( 0.000 8.760 -2.622) 9.144 4.996 ( 0.000 5.633 -3.923) 6.864 5.065 ( 0.000 4.211 -3.709) 5.611 5.394 ( 0.000 2.520 1.771) 3.080 5.456 ( 0.000 -2.182 -4.776) 5.251 5.487 ( 0.000 7.485 4.912) 8.953 5.672 ( 0.000 2.402 5.367) 5.880 5.742 ( 0.000 8.466 1.004) 8.525 5.761 ( 0.000 6.027 1.856) 6.306 5.862 ( 0.000 9.667 -9.563) 13.598 6.202 ( 0.000 1.005 -5.957) 6.041 6.639 ( 0.000 24.066 12.139) 26.954 6.769 ( 0.000 -4.033 1.752) 4.397 7.052 ( 0.000 0.560 -2.111) 2.184 7.089 ( 0.000 4.528 0.988) 4.635 7.144 ( 0.000 3.296 -0.934) 3.425 7.290 ( 0.000 1.116 -3.415) 3.593 7.344 ( 0.000 9.050 -2.654) 9.431 7.660 ( 0.000 -0.917 -5.635) 5.709 7.817 ( 0.000 0.739 -2.694) 2.793 7.879 ( 0.000 6.027 -10.543) 12.144 8.063 ( 0.000 2.795 6.216) 6.815 8.206 ( 0.000 11.286 -4.194) 12.040 8.272 ( 0.000 -1.338 3.787) 4.017 8.375 ( 0.000 5.324 5.068) 7.350 8.684 ( 0.000 -0.659 9.237) 9.261 8.753 ( 0.000 5.909 -11.463) 12.896 8.823 ( 0.000 5.863 5.055) 7.741 9.017 ( 0.000 5.019 7.142) 8.730 9.081 ( 0.000 2.979 -4.736) 5.595 9.239 ( 0.000 15.284 -1.646) 15.373 9.368 ( 0.000 14.327 -0.081) 14.328 9.476 ( 0.000 15.790 -7.245) 17.373 9.952 ( 0.000 -6.063 -1.952) 6.370 10.204 ( 0.000 2.615 -5.832) 6.391 10.370 ( 0.000 7.022 -0.206) 7.025 10.488 ( 0.000 3.692 -0.353) 3.709 10.523 ( 0.000 1.829 -0.055) 1.830 10.727 ( 0.000 3.050 2.749) 4.106 10.829 ( 0.000 3.534 6.762) 7.630 10.981 ( 0.000 9.078 9.486) 13.130 11.052 ( 0.000 -4.264 -8.082) 9.138 11.328 ( 0.000 5.747 -11.407) 12.773 11.441 ( 0.000 12.125 -5.793) 13.438 11.506 ( 0.000 2.143 -6.280) 6.636 11.527 ( 0.000 11.276 -2.803) 11.619 11.545 ( 0.000 2.153 -5.606) 6.005 12.659 ( 0.000 -1.851 5.166) 5.488 12.724 ( 0.000 -3.145 7.421) 8.060 12.961 ( 0.000 0.004 11.049) 11.049 12.971 ( 0.000 1.738 -0.578) 1.831 13.232 ( 0.000 7.320 0.366) 7.329 13.439 ( 0.000 -6.869 -0.071) 6.870 13.543 ( 0.000 -1.904 4.805) 5.169 13.929 ( 0.000 -3.684 2.645) 4.535 13.946 ( 0.000 -6.021 2.250) 6.428 14.353 ( 0.000 0.804 -7.987) 8.028 14.374 ( 0.000 7.866 2.149) 8.154 14.865 ( 0.000 4.392 -16.937) 17.497 14.985 ( 0.000 -1.454 2.054) 2.517 15.000 ( 0.000 -1.984 -9.906) 10.102 15.559 ( 0.000 -4.640 7.034) 8.427 15.956 ( 0.000 2.411 3.144) 3.962 16.301 ( 0.000 -6.650 -8.781) 11.015 16.498 ( 0.000 -3.483 -6.281) 7.182 17.208 ( 0.000 -1.572 6.130) 6.328 17.290 ( 0.000 -7.331 -1.428) 7.469 17.445 ( 0.000 -6.852 4.392) 8.139 17.784 ( 0.000 -4.692 -1.344) 4.880 18.067 ( 0.000 -2.654 6.925) 7.416 18.172 ( 0.000 -4.738 4.788) 6.736 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 4.920 7.798 23.197) 24.962 1.466 ( 6.968 23.549 16.332) 29.493 1.855 ( -12.310 17.651 9.166) 23.390 1.944 ( -15.328 5.720 10.713) 19.556 2.211 ( 4.546 2.246 4.049) 6.489 2.270 ( -0.162 -1.097 4.203) 4.347 2.394 ( 6.035 7.652 0.544) 9.761 2.423 ( 6.914 8.371 4.010) 11.574 2.454 ( 5.291 3.069 5.726) 8.379 2.537 ( -0.981 -1.325 -3.812) 4.154 2.610 ( 3.956 4.247 -2.956) 6.513 2.732 ( -2.280 2.759 -2.662) 4.460 2.772 ( 0.440 -3.049 -3.668) 4.790 2.892 ( -1.027 -0.303 -3.458) 3.620 2.939 ( -5.109 5.089 2.405) 7.601 3.027 ( 4.264 -1.940 1.224) 4.842 3.085 ( 1.833 0.316 -3.666) 4.111 3.176 ( -0.383 0.423 -2.243) 2.314 3.292 ( -1.504 2.706 -6.951) 7.610 3.343 ( 7.609 -0.606 -1.129) 7.716 3.419 ( 4.702 1.841 -3.415) 6.096 3.642 ( -3.444 -2.649 -0.175) 4.348 3.724 ( -5.624 -2.296 6.058) 8.579 3.855 ( -9.101 1.352 3.830) 9.966 3.872 ( -4.693 2.998 4.916) 7.428 3.963 ( -5.731 2.995 2.192) 6.828 3.990 ( -1.558 -0.448 6.434) 6.635 4.082 ( -0.861 -3.314 4.171) 5.396 4.108 ( 2.954 4.559 1.750) 5.707 4.252 ( -0.329 3.829 -7.392) 8.331 4.393 ( -0.555 3.364 -5.906) 6.820 4.455 ( -4.613 2.220 2.594) 5.739 4.510 ( -0.002 18.724 2.648) 18.911 4.557 ( -0.679 7.628 2.856) 8.173 4.695 ( 5.169 10.506 -2.640) 12.003 4.822 ( 2.459 4.524 0.564) 5.180 4.872 ( 1.368 5.751 -2.857) 6.566 4.965 ( -0.288 1.297 -4.682) 4.867 5.046 ( 5.928 6.419 0.088) 8.738 5.093 ( 2.455 2.626 -4.814) 6.008 5.381 ( -0.026 1.073 0.686) 1.274 5.423 ( -0.942 0.410 1.128) 1.526 5.547 ( 3.349 7.999 2.401) 8.998 5.637 ( -2.123 5.486 4.272) 7.270 5.731 ( -0.703 7.906 0.963) 7.996 5.762 ( -0.558 6.100 1.682) 6.352 5.941 ( 5.928 4.952 -6.953) 10.393 6.159 ( -3.833 1.648 -4.667) 6.260 6.684 ( 4.179 15.826 3.275) 16.693 6.796 ( 1.273 6.749 2.857) 7.439 7.017 ( 0.188 1.530 -1.137) 1.915 7.111 ( -1.595 2.017 -1.184) 2.831 7.218 ( 6.317 1.313 -2.190) 6.813 7.301 ( 0.635 -1.169 -5.490) 5.649 7.352 ( 2.371 11.497 0.776) 11.764 7.616 ( -2.648 1.881 -1.378) 3.529 7.757 ( -8.932 4.446 -6.916) 12.140 7.887 ( 1.809 -0.824 0.544) 2.061 7.943 ( -5.133 2.908 6.086) 8.476 8.193 ( -1.588 6.792 -1.107) 7.063 8.244 ( -5.046 5.824 1.861) 7.927 8.280 ( -7.085 2.333 3.330) 8.169 8.696 ( 3.618 5.682 -9.759) 11.858 8.830 ( 7.884 3.147 3.404) 9.146 8.963 ( 4.992 -1.632 4.413) 6.860 9.026 ( 4.697 8.372 -1.526) 9.719 9.121 ( 0.806 4.959 3.423) 6.080 9.228 ( -0.562 14.071 -1.162) 14.130 9.346 ( -2.382 14.374 -0.034) 14.570 9.410 ( -5.522 17.185 -2.628) 18.241 9.946 ( 2.286 1.734 0.178) 2.875 10.180 ( -1.743 3.332 -5.197) 6.415 10.286 ( -6.621 4.995 2.749) 8.737 10.558 ( 2.860 3.444 3.002) 5.390 10.604 ( 1.571 3.045 -1.027) 3.577 10.702 ( 0.970 7.515 2.475) 7.971 10.794 ( 2.865 3.303 -5.188) 6.784 10.979 ( -1.932 -5.086 -7.485) 9.254 11.068 ( 0.330 6.595 2.816) 7.178 11.254 ( -6.142 5.509 -9.186) 12.348 11.433 ( -2.335 9.827 -6.187) 11.845 11.444 ( -1.487 9.914 -3.034) 10.474 11.548 ( 0.618 2.874 -4.322) 5.227 11.561 ( 0.899 5.611 -4.400) 7.187 12.703 ( 3.175 -6.045 6.668) 9.544 12.828 ( 7.959 -2.868 4.998) 9.826 12.883 ( -3.581 -3.677 8.393) 9.838 13.024 ( 0.210 1.443 7.082) 7.231 13.256 ( 3.645 6.467 -3.548) 8.228 13.446 ( -1.083 -2.983 -2.341) 3.943 13.565 ( 3.169 -4.635 6.063) 8.264 13.828 ( -7.212 -4.993 3.940) 9.616 14.000 ( 3.980 -4.444 0.875) 6.029 14.243 ( -6.163 -0.425 -3.939) 7.326 14.520 ( 8.706 6.150 -4.458) 11.554 14.837 ( -3.529 5.319 -17.069) 18.224 14.935 ( -3.610 -0.883 -5.169) 6.367 14.965 ( -2.202 -1.668 2.952) 4.043 15.627 ( 5.660 -3.468 4.738) 8.155 15.879 ( -5.655 0.798 2.030) 6.061 16.411 ( 7.496 -7.008 -7.887) 12.943 16.521 ( 1.560 -4.642 -6.531) 8.162 17.172 ( -2.096 -2.966 4.792) 6.013 17.241 ( -3.827 -5.179 -1.379) 6.585 17.523 ( 5.710 -6.041 4.135) 9.284 17.734 ( -4.125 -4.148 1.572) 6.057 18.088 ( 1.712 -3.193 6.339) 7.301 18.158 ( -1.273 -4.419 5.376) 7.075 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -16.616 7.913 14.031) 23.142 1.558 ( 16.616 7.913 14.031) 23.142 1.645 ( -10.906 21.656 13.332) 27.671 1.645 ( 10.906 21.656 13.332) 27.671 2.267 ( -0.864 -1.436 1.915) 2.545 2.267 ( 0.864 -1.436 1.915) 2.545 2.419 ( -0.820 2.350 -7.129) 7.551 2.419 ( 0.820 2.350 -7.129) 7.551 2.534 ( -0.714 2.211 -6.952) 7.330 2.534 ( 0.714 2.211 -6.952) 7.330 2.770 ( -0.926 1.130 2.809) 3.166 2.770 ( 0.926 1.130 2.809) 3.166 2.810 ( -3.960 6.002 2.481) 7.606 2.810 ( 3.960 6.002 2.481) 7.606 2.963 ( -9.513 0.124 4.113) 10.365 2.963 ( 9.513 0.124 4.113) 10.365 3.205 ( -3.426 0.000 -2.783) 4.414 3.205 ( 3.426 0.000 -2.783) 4.414 3.306 ( -12.430 1.884 8.749) 15.317 3.306 ( 12.430 1.884 8.749) 15.317 3.499 ( -1.845 0.358 -2.781) 3.357 3.499 ( 1.845 0.358 -2.781) 3.357 3.689 ( -3.390 -1.946 2.425) 4.600 3.689 ( 3.390 -1.946 2.425) 4.600 3.852 ( -2.426 6.201 4.737) 8.172 3.852 ( 2.426 6.201 4.737) 8.172 4.049 ( -3.422 -2.915 0.959) 4.596 4.049 ( 3.422 -2.915 0.959) 4.596 4.207 ( -5.024 4.687 -2.111) 7.187 4.207 ( 5.024 4.687 -2.111) 7.187 4.387 ( -1.601 -2.204 -1.449) 3.085 4.387 ( 1.601 -2.204 -1.449) 3.085 4.536 ( -1.528 17.916 2.555) 18.162 4.536 ( 1.528 17.916 2.555) 18.162 4.794 ( -4.162 9.000 -3.149) 10.403 4.794 ( 4.162 9.000 -3.149) 10.403 4.926 ( -3.136 2.004 -1.963) 4.208 4.926 ( 3.136 2.004 -1.963) 4.208 5.117 ( -1.199 3.118 -5.429) 6.375 5.117 ( 1.199 3.118 -5.429) 6.375 5.405 ( -1.333 -0.507 1.201) 1.865 5.405 ( 1.333 -0.507 1.201) 1.865 5.602 ( -1.754 8.450 4.079) 9.545 5.602 ( 1.754 8.450 4.079) 9.545 5.734 ( -1.379 6.903 1.625) 7.225 5.734 ( 1.379 6.903 1.625) 7.225 6.061 ( -5.510 2.080 -4.775) 7.582 6.061 ( 5.510 2.080 -4.775) 7.582 6.775 ( -3.487 11.038 -1.560) 11.680 6.775 ( 3.487 11.038 -1.560) 11.680 7.061 ( -3.024 3.816 -0.097) 4.870 7.061 ( 3.024 3.816 -0.097) 4.870 7.289 ( -1.530 -0.691 -5.848) 6.084 7.289 ( 1.530 -0.691 -5.848) 6.084 7.497 ( -9.489 5.418 -4.073) 11.661 7.497 ( 9.489 5.418 -4.073) 11.661 7.722 ( -8.348 4.953 11.909) 15.364 7.722 ( 8.348 4.953 11.909) 15.364 8.075 ( -9.465 2.334 0.809) 9.782 8.075 ( 9.465 2.334 0.809) 9.782 8.184 ( -1.578 2.846 -2.299) 3.985 8.184 ( 1.578 2.846 -2.299) 3.985 8.834 ( -6.269 5.522 -8.399) 11.847 8.834 ( 6.269 5.522 -8.399) 11.847 9.057 ( -4.025 -1.570 6.267) 7.611 9.057 ( 4.025 -1.570 6.267) 7.611 9.190 ( -5.080 13.194 0.736) 14.157 9.190 ( 5.080 13.194 0.736) 14.157 9.316 ( -2.227 17.940 0.665) 18.090 9.316 ( 2.227 17.940 0.665) 18.090 10.052 ( -7.819 2.893 -2.624) 8.740 10.052 ( 7.819 2.893 -2.624) 8.740 10.354 ( -11.671 10.627 8.638) 17.993 10.354 ( 11.671 10.627 8.638) 17.993 10.728 ( -6.604 -2.999 -7.780) 10.637 10.728 ( 6.604 -2.999 -7.780) 10.637 10.916 ( -7.790 2.243 -6.196) 10.203 10.916 ( 7.790 2.243 -6.196) 10.203 11.098 ( -7.081 6.733 -4.826) 10.898 11.098 ( 7.081 6.733 -4.826) 10.898 11.420 ( -0.968 10.888 -2.864) 11.300 11.420 ( 0.968 10.888 -2.864) 11.300 11.563 ( -0.570 3.710 -4.226) 5.653 11.563 ( 0.570 3.710 -4.226) 5.653 12.788 ( -4.854 -6.716 8.459) 11.842 12.788 ( 4.854 -6.716 8.459) 11.842 12.973 ( -4.904 -1.259 6.663) 8.369 12.973 ( 4.904 -1.259 6.663) 8.369 13.369 ( -5.841 1.884 -4.295) 7.491 13.369 ( 5.841 1.884 -4.295) 7.491 13.676 ( -6.994 -5.812 5.331) 10.541 13.676 ( 6.994 -5.812 5.331) 10.541 14.109 ( -6.427 -3.421 -2.079) 7.572 14.109 ( 6.427 -3.421 -2.079) 7.572 14.701 ( -8.547 5.603 -10.940) 14.972 14.701 ( 8.547 5.603 -10.940) 14.972 14.920 ( -1.518 -0.429 0.124) 1.582 14.920 ( 1.518 -0.429 0.124) 1.582 15.755 ( -6.385 -1.320 2.343) 6.928 15.755 ( 6.385 -1.320 2.343) 6.928 16.521 ( -2.490 -6.834 -6.960) 10.067 16.521 ( 2.490 -6.834 -6.960) 10.067 17.169 ( -2.171 -3.518 1.171) 4.297 17.169 ( 2.171 -3.518 1.171) 4.297 17.638 ( -5.189 -4.587 3.638) 7.823 17.638 ( 5.189 -4.587 3.638) 7.823 18.126 ( -1.812 -3.854 6.086) 7.429 18.126 ( 1.812 -3.854 6.086) 7.429 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 9.989 21.372) 23.591 1.699 ( 0.000 13.517 18.807) 23.161 2.128 ( 0.000 1.140 10.457) 10.519 2.232 ( 0.000 1.072 0.690) 1.275 2.268 ( 0.000 -0.441 3.822) 3.848 2.284 ( 0.000 5.544 1.392) 5.716 2.447 ( 0.000 4.624 0.166) 4.627 2.548 ( 0.000 0.240 -0.466) 0.524 2.596 ( 0.000 14.078 3.848) 14.594 2.662 ( 0.000 -2.604 -5.681) 6.249 2.706 ( 0.000 10.827 7.501) 13.172 2.707 ( 0.000 13.373 -0.386) 13.379 2.833 ( 0.000 1.281 -8.383) 8.480 2.848 ( 0.000 2.196 -1.943) 2.932 2.973 ( 0.000 3.580 -2.273) 4.240 3.057 ( 0.000 2.995 3.161) 4.355 3.084 ( 0.000 1.518 2.125) 2.612 3.176 ( 0.000 2.331 -1.382) 2.710 3.294 ( 0.000 4.714 -2.557) 5.363 3.364 ( 0.000 2.584 -2.058) 3.304 3.425 ( 0.000 2.594 -2.858) 3.860 3.484 ( 0.000 -11.935 0.997) 11.977 3.721 ( 0.000 -5.586 2.027) 5.942 3.790 ( 0.000 -8.202 0.670) 8.229 3.948 ( 0.000 -4.711 -2.389) 5.282 3.953 ( 0.000 -1.825 -0.440) 1.877 3.971 ( 0.000 -1.130 0.367) 1.188 4.168 ( 0.000 1.289 -1.891) 2.289 4.294 ( 0.000 10.070 2.687) 10.422 4.353 ( 0.000 2.760 5.695) 6.329 4.370 ( 0.000 -7.196 2.253) 7.540 4.557 ( 0.000 6.140 -1.656) 6.359 4.596 ( 0.000 0.214 -1.145) 1.165 4.710 ( 0.000 -3.536 4.890) 6.035 4.921 ( 0.000 20.198 3.773) 20.547 4.943 ( 0.000 8.359 -3.245) 8.967 4.982 ( 0.000 5.014 -2.429) 5.572 5.048 ( 0.000 9.975 -3.990) 10.744 5.228 ( 0.000 8.675 0.461) 8.687 5.255 ( 0.000 10.849 -1.303) 10.927 5.455 ( 0.000 3.358 2.859) 4.410 5.480 ( 0.000 6.384 -0.484) 6.402 5.654 ( 0.000 -0.257 6.830) 6.834 5.828 ( 0.000 22.957 6.315) 23.810 5.934 ( 0.000 13.665 0.838) 13.690 5.988 ( 0.000 10.319 -1.863) 10.486 6.087 ( 0.000 12.964 -1.358) 13.035 6.239 ( 0.000 9.139 -10.885) 14.212 6.703 ( 0.000 -2.245 0.641) 2.335 7.021 ( 0.000 -2.255 -2.794) 3.590 7.108 ( 0.000 -0.904 -5.600) 5.672 7.212 ( 0.000 18.628 -1.433) 18.683 7.243 ( 0.000 4.150 -7.950) 8.968 7.255 ( 0.000 6.133 -1.140) 6.238 7.637 ( 0.000 -1.409 -0.552) 1.513 7.663 ( 0.000 14.759 -0.515) 14.768 7.876 ( 0.000 8.433 3.653) 9.190 8.057 ( 0.000 12.926 -10.283) 16.517 8.097 ( 0.000 0.948 1.996) 2.210 8.276 ( 0.000 2.727 2.700) 3.838 8.383 ( 0.000 7.006 0.230) 7.010 8.673 ( 0.000 21.675 6.240) 22.555 8.683 ( 0.000 1.623 10.251) 10.378 8.876 ( 0.000 0.661 4.150) 4.203 8.884 ( 0.000 6.688 -9.466) 11.591 9.043 ( 0.000 -4.484 -9.419) 10.432 9.188 ( 0.000 10.193 7.690) 12.768 9.623 ( 0.000 13.997 -3.294) 14.379 9.700 ( 0.000 18.286 1.867) 18.381 9.820 ( 0.000 11.444 -7.597) 13.736 9.976 ( 0.000 18.791 2.460) 18.951 10.320 ( 0.000 7.948 -1.573) 8.102 10.455 ( 0.000 0.299 12.577) 12.581 10.477 ( 0.000 -0.551 1.645) 1.734 10.692 ( 0.000 12.627 0.840) 12.655 10.821 ( 0.000 11.110 1.093) 11.164 10.991 ( 0.000 6.117 -9.587) 11.372 11.109 ( 0.000 14.509 0.167) 14.510 11.215 ( 0.000 13.826 10.638) 17.445 11.460 ( 0.000 5.357 -14.043) 15.030 11.607 ( 0.000 4.208 -5.853) 7.209 11.615 ( 0.000 11.868 -3.042) 12.252 11.696 ( 0.000 12.456 -5.835) 13.755 11.811 ( 0.000 17.735 -4.859) 18.388 12.644 ( 0.000 -4.688 5.698) 7.379 12.685 ( 0.000 3.429 -0.333) 3.445 12.926 ( 0.000 -3.200 9.910) 10.414 12.983 ( 0.000 -2.826 5.648) 6.316 13.254 ( 0.000 -5.382 0.274) 5.389 13.288 ( 0.000 -5.855 -3.670) 6.910 13.472 ( 0.000 -6.435 6.133) 8.890 13.786 ( 0.000 -10.184 -0.452) 10.194 13.917 ( 0.000 3.353 -6.410) 7.234 14.350 ( 0.000 -1.054 -12.088) 12.133 14.549 ( 0.000 9.190 8.315) 12.393 14.886 ( 0.000 -5.126 -6.115) 7.979 14.956 ( 0.000 -1.046 -0.577) 1.194 15.043 ( 0.000 8.739 -13.431) 16.023 15.439 ( 0.000 -6.756 8.489) 10.849 16.034 ( 0.000 5.350 -6.059) 8.083 16.111 ( 0.000 -12.521 -6.685) 14.194 16.398 ( 0.000 -6.655 -7.597) 10.099 17.070 ( 0.000 -14.759 -1.538) 14.839 17.125 ( 0.000 -8.665 -2.292) 8.963 17.314 ( 0.000 -3.699 12.257) 12.803 17.694 ( 0.000 -3.763 1.975) 4.249 17.991 ( 0.000 -4.976 7.022) 8.606 18.049 ( 0.000 -7.745 6.228) 9.938 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 4.928 11.391 18.404) 22.197 1.846 ( 10.104 13.371 13.749) 21.677 2.026 ( -11.342 6.248 9.321) 15.955 2.180 ( -4.532 4.804 3.985) 7.713 2.236 ( 0.115 3.154 2.911) 4.294 2.283 ( -1.640 3.842 2.796) 5.027 2.422 ( -2.627 -0.615 -2.105) 3.422 2.504 ( -7.031 0.819 -4.011) 8.136 2.519 ( -1.192 -0.252 -4.739) 4.893 2.650 ( -2.835 0.382 -4.804) 5.592 2.733 ( 6.991 5.752 0.595) 9.073 2.829 ( 7.912 12.834 9.193) 17.659 2.845 ( 4.435 9.477 1.120) 10.523 2.910 ( 1.158 1.560 -5.236) 5.585 2.988 ( 2.736 -0.543 0.378) 2.815 3.070 ( -1.254 3.947 1.989) 4.594 3.088 ( 1.970 7.491 3.029) 8.317 3.211 ( -0.841 3.789 2.025) 4.378 3.291 ( -1.000 -2.089 -2.443) 3.367 3.377 ( 5.659 1.625 -1.600) 6.101 3.427 ( -0.448 -2.769 -1.421) 3.144 3.543 ( 3.712 -2.931 1.230) 4.888 3.672 ( -2.253 -3.412 -0.002) 4.089 3.858 ( -3.590 -6.013 -2.322) 7.377 3.879 ( 3.238 -4.137 3.286) 6.197 3.925 ( -7.535 5.532 3.573) 10.007 3.986 ( 1.054 -4.822 -2.058) 5.348 3.999 ( -12.185 0.033 9.018) 15.159 4.141 ( -2.207 -2.994 -0.963) 3.842 4.332 ( -6.040 -5.033 -2.269) 8.183 4.441 ( 0.494 10.566 -2.686) 10.913 4.450 ( -1.000 3.383 1.072) 3.687 4.705 ( 8.202 2.690 1.882) 8.834 4.887 ( 8.112 -0.059 -0.767) 8.148 4.932 ( 0.465 19.351 1.627) 19.425 4.961 ( 1.264 6.478 -3.010) 7.254 4.983 ( 1.145 6.457 -1.393) 6.704 5.023 ( -1.975 7.804 -2.615) 8.464 5.221 ( -0.735 8.919 -0.298) 8.955 5.251 ( -0.369 8.032 -1.159) 8.124 5.424 ( -0.400 4.259 2.972) 5.209 5.489 ( -1.081 5.729 2.995) 6.555 5.722 ( 5.575 1.138 4.127) 7.029 5.845 ( 1.850 21.938 5.427) 22.674 5.905 ( -2.625 12.061 1.229) 12.405 5.967 ( -2.119 11.005 -0.790) 11.235 6.103 ( 1.569 12.212 -2.094) 12.489 6.219 ( -2.282 10.034 -7.434) 12.695 6.745 ( 4.635 -0.754 -3.499) 5.856 6.971 ( -3.790 -0.060 -3.299) 5.025 7.131 ( 1.676 -0.828 -6.143) 6.421 7.224 ( -1.708 1.505 -8.082) 8.397 7.269 ( 3.660 9.082 -2.862) 10.201 7.322 ( 5.163 11.868 -0.976) 12.979 7.618 ( -0.366 5.950 -1.968) 6.278 7.686 ( 0.267 8.788 0.611) 8.813 7.858 ( -9.343 6.179 -3.873) 11.852 7.922 ( 0.323 7.527 5.796) 9.505 8.023 ( -4.164 5.492 1.514) 7.057 8.245 ( 1.154 5.411 4.587) 7.187 8.384 ( -6.347 7.458 -0.961) 9.841 8.543 ( -10.346 17.101 6.239) 20.939 8.802 ( 6.477 3.621 -5.842) 9.444 8.907 ( 5.296 6.332 -1.996) 8.493 8.946 ( 5.547 1.740 1.870) 6.107 9.065 ( 1.543 -2.316 1.572) 3.196 9.276 ( 6.278 10.219 6.332) 13.562 9.593 ( -3.173 17.733 -0.293) 18.017 9.709 ( 1.511 20.934 1.195) 21.022 9.861 ( 0.255 21.964 -4.952) 22.517 10.042 ( 8.272 11.230 -0.473) 13.956 10.271 ( -4.616 5.515 -2.733) 7.693 10.427 ( -1.794 7.577 3.015) 8.350 10.633 ( 13.433 1.442 5.414) 14.554 10.713 ( 1.734 11.338 1.136) 11.526 10.784 ( -3.265 3.772 -3.654) 6.184 10.935 ( -9.402 6.667 0.108) 11.526 11.031 ( 0.200 13.663 -7.713) 15.691 11.233 ( -2.808 9.705 -0.151) 10.104 11.438 ( -3.995 12.708 -3.018) 13.659 11.541 ( 0.075 5.670 -6.224) 8.420 11.612 ( 0.263 5.121 -2.676) 5.784 11.752 ( 2.105 16.637 -6.220) 17.886 11.797 ( -1.009 17.207 -4.571) 17.833 12.608 ( -0.535 -3.915 4.909) 6.302 12.783 ( 6.024 -1.718 3.385) 7.121 12.789 ( -7.974 -5.535 6.912) 11.916 12.994 ( -2.612 -5.776 8.098) 10.284 13.285 ( 3.342 -4.121 -1.045) 5.407 13.371 ( 5.295 -3.325 -3.764) 7.298 13.456 ( -0.288 -7.122 6.174) 9.430 13.731 ( -5.899 -6.103 -1.732) 8.663 13.930 ( 2.711 -0.087 -4.714) 5.438 14.221 ( -9.239 -1.627 -7.913) 12.273 14.653 ( 7.161 6.733 4.120) 10.657 14.876 ( -1.308 -4.908 -4.435) 6.743 14.938 ( -1.531 1.359 1.252) 2.400 14.983 ( -3.986 6.641 -11.700) 14.031 15.548 ( 8.702 -3.526 3.618) 10.062 15.905 ( -7.795 1.056 -4.481) 9.053 16.231 ( 6.527 -9.974 -6.657) 13.653 16.389 ( -1.168 -8.539 -7.230) 11.249 17.045 ( -0.905 -10.656 -0.108) 10.695 17.105 ( -1.958 -8.751 -3.257) 9.541 17.398 ( 6.653 -4.856 9.610) 12.657 17.649 ( -4.107 -3.730 3.743) 6.693 18.000 ( 0.798 -5.665 6.938) 8.992 18.040 ( -0.790 -7.464 6.491) 9.923 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -15.191 9.984 11.341) 21.426 1.723 ( 15.191 9.984 11.341) 21.426 2.043 ( -8.550 14.228 8.483) 18.642 2.043 ( 8.550 14.228 8.483) 18.642 2.257 ( -1.232 0.861 2.978) 3.335 2.257 ( 1.232 0.861 2.978) 3.335 2.393 ( -1.554 -2.536 -5.842) 6.555 2.393 ( 1.554 -2.536 -5.842) 6.555 2.574 ( -3.937 0.339 -3.649) 5.379 2.574 ( 3.937 0.339 -3.649) 5.379 2.854 ( -3.177 4.549 -0.969) 5.633 2.854 ( 3.177 4.549 -0.969) 5.633 2.919 ( -0.205 2.877 -1.737) 3.368 2.919 ( 0.205 2.877 -1.737) 3.368 3.061 ( -1.919 10.638 3.104) 11.247 3.061 ( 1.919 10.638 3.104) 11.247 3.171 ( -9.748 -3.337 3.022) 10.738 3.171 ( 9.748 -3.337 3.022) 10.738 3.317 ( -9.412 0.116 5.148) 10.728 3.317 ( 9.412 0.116 5.148) 10.728 3.554 ( -8.318 5.066 3.362) 10.303 3.554 ( 8.318 5.066 3.362) 10.303 3.656 ( -7.726 -0.282 0.643) 7.758 3.656 ( 7.726 -0.282 0.643) 7.758 3.878 ( -4.013 -1.319 1.432) 4.460 3.878 ( 4.013 -1.319 1.432) 4.460 3.970 ( -3.678 -5.115 -0.055) 6.301 3.970 ( 3.678 -5.115 -0.055) 6.301 4.179 ( -6.413 -6.525 -1.249) 9.234 4.179 ( 6.413 -6.525 -1.249) 9.234 4.453 ( -0.805 8.366 -1.088) 8.475 4.453 ( 0.805 8.366 -1.088) 8.475 4.855 ( -6.258 7.321 -1.019) 9.685 4.855 ( 6.258 7.321 -1.019) 9.685 4.973 ( -0.773 6.155 -3.098) 6.934 4.973 ( 0.773 6.155 -3.098) 6.934 5.016 ( -0.595 9.645 -0.143) 9.664 5.016 ( 0.595 9.645 -0.143) 9.664 5.227 ( -1.613 5.616 -0.805) 5.898 5.227 ( 1.613 5.616 -0.805) 5.898 5.449 ( -2.269 4.970 4.060) 6.807 5.449 ( 2.269 4.970 4.060) 6.807 5.831 ( -4.452 9.067 2.578) 10.424 5.831 ( 4.452 9.067 2.578) 10.424 5.906 ( -3.507 13.653 2.123) 14.256 5.906 ( 3.507 13.653 2.123) 14.256 6.154 ( -3.346 11.377 -3.735) 12.433 6.154 ( 3.346 11.377 -3.735) 12.433 6.871 ( -6.217 0.464 -5.345) 8.212 6.871 ( 6.217 0.464 -5.345) 8.212 7.175 ( -2.647 0.967 -7.830) 8.322 7.175 ( 2.647 0.967 -7.830) 8.322 7.348 ( -2.947 6.711 -4.114) 8.405 7.348 ( 2.947 6.711 -4.114) 8.405 7.639 ( -2.558 8.834 -2.111) 9.436 7.639 ( 2.558 8.834 -2.111) 9.436 7.816 ( -4.219 3.883 7.253) 9.245 7.816 ( 4.219 3.883 7.253) 9.245 8.163 ( -11.531 7.521 -0.676) 13.784 8.163 ( 11.531 7.521 -0.676) 13.784 8.340 ( -8.022 13.406 5.670) 16.620 8.340 ( 8.022 13.406 5.670) 16.620 8.945 ( -1.087 1.704 -3.264) 3.839 8.945 ( 1.087 1.704 -3.264) 3.839 9.023 ( -6.326 3.327 0.351) 7.156 9.023 ( 6.326 3.327 0.351) 7.156 9.471 ( -9.613 13.985 4.942) 17.675 9.471 ( 9.613 13.985 4.942) 17.675 9.784 ( -5.670 25.227 1.600) 25.906 9.784 ( 5.670 25.227 1.600) 25.906 10.181 ( -3.895 10.196 -5.061) 12.031 10.181 ( 3.895 10.196 -5.061) 12.031 10.564 ( -14.197 7.246 -0.119) 15.939 10.564 ( 14.197 7.246 -0.119) 15.939 10.764 ( -1.818 8.950 3.173) 9.668 10.764 ( 1.818 8.950 3.173) 9.668 10.945 ( -9.407 2.325 -9.557) 13.610 10.945 ( 9.407 2.325 -9.557) 13.610 11.277 ( -8.417 11.076 -1.802) 14.027 11.277 ( 8.417 11.076 -1.802) 14.027 11.600 ( -2.175 6.906 -2.447) 7.643 11.600 ( 2.175 6.906 -2.447) 7.643 11.777 ( -0.894 18.008 -5.324) 18.800 11.777 ( 0.894 18.008 -5.324) 18.800 12.649 ( -4.799 -6.998 7.155) 11.099 12.649 ( 4.799 -6.998 7.155) 11.099 12.905 ( -5.444 -5.244 5.508) 9.353 12.905 ( 5.444 -5.244 5.508) 9.353 13.360 ( -3.558 -5.508 -0.009) 6.557 13.360 ( 3.558 -5.508 -0.009) 6.557 13.573 ( -8.523 -3.016 -0.536) 9.057 13.573 ( 8.523 -3.016 -0.536) 9.057 14.039 ( -7.638 -2.749 -5.431) 9.767 14.039 ( 7.638 -2.749 -5.431) 9.767 14.795 ( -6.274 2.372 1.698) 6.919 14.795 ( 6.274 2.372 1.698) 6.919 14.931 ( -1.188 2.548 -6.079) 6.698 14.931 ( 1.188 2.548 -6.079) 6.698 15.735 ( -8.928 -0.288 -1.294) 9.026 15.735 ( 8.928 -0.288 -1.294) 9.026 16.339 ( -3.856 -10.924 -6.500) 13.284 16.339 ( 3.856 -10.924 -6.500) 13.284 17.059 ( -1.997 -8.117 -1.906) 8.573 17.059 ( 1.997 -8.117 -1.906) 8.573 17.539 ( -6.492 -4.482 6.518) 10.233 17.539 ( 6.492 -4.482 6.518) 10.233 18.020 ( -1.087 -6.722 6.883) 9.682 18.020 ( 1.087 -6.722 6.883) 9.682 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 11.961 14.770) 19.006 1.942 ( 0.000 11.685 14.941) 18.967 2.128 ( 0.000 -1.275 6.904) 7.021 2.257 ( 0.000 1.738 3.311) 3.740 2.264 ( 0.000 0.295 2.804) 2.819 2.357 ( 0.000 2.596 0.236) 2.607 2.489 ( 0.000 -0.733 2.496) 2.602 2.574 ( 0.000 -1.723 -1.988) 2.631 2.584 ( 0.000 4.089 -0.855) 4.177 2.676 ( 0.000 -2.931 1.981) 3.537 2.790 ( 0.000 -3.683 -1.792) 4.095 2.823 ( 0.000 0.233 0.971) 0.999 2.827 ( 0.000 1.724 -0.530) 1.804 2.903 ( 0.000 0.522 2.955) 3.001 3.077 ( 0.000 7.323 -6.523) 9.807 3.130 ( 0.000 -7.045 4.232) 8.218 3.181 ( 0.000 2.135 -6.732) 7.062 3.276 ( 0.000 -0.743 -1.176) 1.391 3.310 ( 0.000 3.293 1.985) 3.845 3.383 ( 0.000 2.508 0.828) 2.641 3.441 ( 0.000 6.217 0.200) 6.220 3.589 ( 0.000 -6.161 -3.233) 6.958 3.597 ( 0.000 14.091 2.418) 14.297 3.609 ( 0.000 -8.273 -2.818) 8.740 3.875 ( 0.000 -5.608 1.875) 5.913 3.880 ( 0.000 1.854 -0.063) 1.855 3.969 ( 0.000 0.897 1.426) 1.684 4.224 ( 0.000 3.407 -6.564) 7.395 4.281 ( 0.000 0.041 1.989) 1.989 4.433 ( 0.000 4.809 4.249) 6.417 4.449 ( 0.000 6.089 6.745) 9.087 4.585 ( 0.000 -0.909 -0.874) 1.261 4.588 ( 0.000 -3.031 4.802) 5.679 4.755 ( 0.000 7.074 -4.193) 8.223 5.012 ( 0.000 2.092 -5.342) 5.737 5.019 ( 0.000 1.504 -3.854) 4.137 5.216 ( 0.000 8.998 2.401) 9.313 5.226 ( 0.000 4.656 -1.080) 4.780 5.321 ( 0.000 3.988 2.817) 4.882 5.394 ( 0.000 3.930 0.115) 3.931 5.517 ( 0.000 2.202 3.455) 4.097 5.575 ( 0.000 -5.536 5.678) 7.930 5.598 ( 0.000 2.783 1.231) 3.043 5.875 ( 0.000 -12.849 -1.178) 12.902 6.262 ( 0.000 19.007 3.692) 19.362 6.377 ( 0.000 26.446 3.266) 26.646 6.513 ( 0.000 22.585 -0.521) 22.591 6.588 ( 0.000 18.641 -2.277) 18.779 6.693 ( 0.000 3.068 -5.266) 6.095 6.985 ( 0.000 -1.074 -3.287) 3.458 7.083 ( 0.000 -1.300 -5.338) 5.494 7.154 ( 0.000 -3.915 -6.457) 7.551 7.352 ( 0.000 3.702 -3.450) 5.060 7.454 ( 0.000 1.140 -10.274) 10.337 7.594 ( 0.000 -3.383 2.696) 4.326 7.763 ( 0.000 -3.273 -1.967) 3.818 8.103 ( 0.000 9.441 2.009) 9.652 8.129 ( 0.000 2.613 -2.126) 3.369 8.375 ( 0.000 6.100 -0.529) 6.123 8.425 ( 0.000 16.959 -6.031) 17.999 8.491 ( 0.000 3.563 5.042) 6.174 8.810 ( 0.000 13.149 9.550) 16.252 8.900 ( 0.000 -5.646 -8.527) 10.227 8.926 ( 0.000 5.909 0.838) 5.968 8.982 ( 0.000 3.953 0.115) 3.955 9.104 ( 0.000 13.690 0.521) 13.700 9.376 ( 0.000 9.805 8.936) 13.266 9.708 ( 0.000 4.699 -2.649) 5.395 10.026 ( 0.000 2.099 -0.062) 2.100 10.046 ( 0.000 15.732 5.668) 16.721 10.335 ( 0.000 -5.645 9.592) 11.129 10.378 ( 0.000 10.333 -5.597) 11.751 10.570 ( 0.000 11.407 8.777) 14.393 10.571 ( 0.000 17.218 4.525) 17.803 10.991 ( 0.000 14.299 1.425) 14.369 11.086 ( 0.000 5.810 -9.909) 11.487 11.152 ( 0.000 19.386 -2.841) 19.593 11.464 ( 0.000 9.417 0.550) 9.433 11.497 ( 0.000 20.642 -6.426) 21.619 11.585 ( 0.000 10.744 -2.894) 11.127 11.709 ( 0.000 6.957 -7.805) 10.456 11.899 ( 0.000 7.660 -1.954) 7.906 11.983 ( 0.000 23.583 -0.849) 23.599 12.205 ( 0.000 21.537 -3.608) 21.837 12.552 ( 0.000 -4.283 3.219) 5.357 12.743 ( 0.000 0.479 -5.532) 5.552 12.791 ( 0.000 -14.699 7.938) 16.706 12.836 ( 0.000 -5.613 4.019) 6.903 13.078 ( 0.000 -10.146 2.822) 10.531 13.271 ( 0.000 1.444 -2.548) 2.929 13.292 ( 0.000 -11.088 8.853) 14.189 13.552 ( 0.000 -13.407 -1.442) 13.485 14.040 ( 0.000 8.422 -9.690) 12.838 14.328 ( 0.000 -0.497 -15.185) 15.193 14.681 ( 0.000 1.628 3.623) 3.972 14.728 ( 0.000 -10.308 -7.146) 12.543 14.978 ( 0.000 5.031 0.252) 5.037 15.255 ( 0.000 11.833 -6.707) 13.602 15.353 ( 0.000 -0.208 10.373) 10.375 15.823 ( 0.000 -16.274 -2.683) 16.494 16.140 ( 0.000 4.104 -12.515) 13.170 16.238 ( 0.000 -9.569 -7.715) 12.292 16.753 ( 0.000 -15.555 -1.869) 15.667 16.898 ( 0.000 -12.297 -7.129) 14.214 17.322 ( 0.000 3.685 14.474) 14.935 17.648 ( 0.000 -0.825 4.370) 4.447 17.870 ( 0.000 -10.362 7.863) 13.007 17.877 ( 0.000 -6.369 7.114) 9.549 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 5.201 13.025 11.712) 18.272 2.039 ( 5.913 7.340 9.784) 13.585 2.132 ( 0.038 1.737 9.103) 9.267 2.194 ( -4.238 2.621 2.081) 5.400 2.273 ( 0.937 1.527 3.056) 3.542 2.384 ( 0.592 2.198 1.881) 2.953 2.406 ( -5.061 0.951 0.107) 5.151 2.495 ( -9.611 0.072 -3.762) 10.322 2.572 ( -0.809 3.929 0.697) 4.071 2.638 ( -3.160 1.946 -0.673) 3.771 2.776 ( 6.791 -2.621 2.684) 7.758 2.828 ( 2.603 -7.176 2.400) 8.002 2.873 ( -0.237 -3.289 0.183) 3.303 2.961 ( 2.959 1.613 0.943) 3.500 3.037 ( -2.703 1.469 -4.501) 5.452 3.134 ( -0.451 -3.558 2.534) 4.392 3.214 ( -3.003 -0.361 0.014) 3.025 3.270 ( -1.256 3.195 0.612) 3.487 3.300 ( 4.334 1.848 -1.934) 5.093 3.407 ( -1.365 6.136 -1.036) 6.371 3.480 ( 6.584 0.831 -0.383) 6.647 3.579 ( 0.519 0.570 -3.306) 3.395 3.642 ( 4.022 7.231 2.575) 8.666 3.696 ( 4.442 -8.433 -3.557) 10.174 3.809 ( -1.265 -3.586 3.650) 5.271 3.915 ( -1.009 4.488 -0.283) 4.609 3.952 ( -0.510 -3.657 1.796) 4.106 4.088 ( -8.179 0.875 -3.019) 8.762 4.183 ( -10.839 15.209 9.472) 20.940 4.243 ( -8.620 -2.960 -0.141) 9.115 4.495 ( 4.285 3.966 1.953) 6.157 4.667 ( 5.161 7.055 -1.413) 8.855 4.744 ( 3.503 2.809 -1.511) 4.738 4.851 ( 11.411 -3.007 -0.799) 11.828 5.019 ( -0.366 1.362 -4.550) 4.764 5.031 ( 0.750 2.415 -5.090) 5.684 5.182 ( -2.926 5.756 0.614) 6.486 5.232 ( 0.913 9.004 1.434) 9.163 5.281 ( -3.068 0.093 3.510) 4.663 5.366 ( -2.692 3.515 0.032) 4.428 5.503 ( -0.138 2.394 3.906) 4.583 5.556 ( -1.087 -0.098 4.954) 5.073 5.677 ( 5.181 -3.603 0.835) 6.366 5.850 ( -2.407 -11.025 -1.338) 11.364 6.289 ( 2.304 19.661 4.544) 20.310 6.363 ( -1.117 24.927 3.829) 25.244 6.510 ( -0.248 22.734 -0.269) 22.737 6.556 ( -2.547 18.122 -0.800) 18.317 6.755 ( 5.601 3.297 -6.678) 9.318 6.961 ( -2.392 0.019 -3.905) 4.579 7.101 ( 1.800 -1.598 -5.747) 6.231 7.173 ( 0.678 -2.839 -6.723) 7.329 7.360 ( 0.982 2.509 -4.038) 4.854 7.460 ( -0.568 0.112 -5.582) 5.612 7.603 ( 1.605 -4.513 -1.787) 5.112 7.743 ( -2.173 -4.462 -2.659) 5.630 7.999 ( -6.820 7.812 -0.791) 10.400 8.145 ( 3.911 7.092 -0.868) 8.145 8.187 ( -13.656 10.650 2.656) 17.520 8.439 ( 0.722 8.667 3.710) 9.455 8.547 ( 2.049 8.515 -2.381) 9.076 8.742 ( -3.556 4.338 -3.052) 6.386 8.864 ( -3.558 3.046 4.352) 6.393 8.958 ( -0.118 -1.746 0.938) 1.985 9.124 ( 13.435 14.132 3.111) 19.746 9.173 ( 3.471 15.903 0.647) 16.290 9.465 ( 7.985 8.920 8.632) 14.760 9.822 ( 2.122 6.017 -2.734) 6.941 10.008 ( 6.449 7.689 3.707) 10.698 10.148 ( 7.175 9.639 -3.941) 12.646 10.328 ( -7.694 9.824 4.770) 13.359 10.431 ( 4.858 4.989 -0.540) 6.985 10.512 ( 6.771 5.761 3.556) 9.575 10.700 ( 5.453 11.282 0.135) 12.532 10.921 ( -5.223 7.019 -0.113) 8.750 11.038 ( -5.492 6.368 -3.866) 9.255 11.093 ( -4.770 22.717 -0.523) 23.218 11.365 ( -10.790 12.785 -10.855) 19.943 11.446 ( 2.042 16.821 1.222) 16.988 11.681 ( -3.212 7.661 -7.003) 10.865 11.704 ( 5.575 12.869 1.260) 14.081 11.801 ( -2.739 15.042 -1.343) 15.348 12.087 ( 4.445 17.594 -1.878) 18.244 12.188 ( -1.325 20.854 -0.920) 20.916 12.528 ( -1.625 -4.225 1.708) 4.838 12.653 ( -9.915 -8.450 5.305) 14.066 12.766 ( 1.623 -1.487 -2.865) 3.613 12.817 ( -1.297 -9.242 4.279) 10.267 13.096 ( 1.735 -12.361 3.458) 12.953 13.235 ( -4.002 -12.672 5.354) 14.327 13.378 ( 6.545 -1.804 -1.158) 6.887 13.535 ( -1.599 -13.090 -1.810) 13.311 14.026 ( -0.387 8.332 -9.251) 12.456 14.212 ( -8.527 2.237 -11.240) 14.285 14.722 ( 2.238 -2.493 -1.949) 3.876 14.738 ( 0.802 -9.039 -6.122) 10.946 14.995 ( 1.850 7.065 2.156) 7.615 15.146 ( -5.337 9.399 3.020) 11.223 15.534 ( 11.067 2.322 -0.327) 11.313 15.810 ( -1.718 -12.356 -3.582) 12.979 16.134 ( -0.151 0.371 -9.535) 9.544 16.212 ( -2.415 -7.072 -6.849) 10.137 16.782 ( 2.568 -15.152 -3.603) 15.785 16.885 ( -1.331 -12.722 -7.165) 14.662 17.375 ( 4.853 2.431 12.895) 13.991 17.605 ( -4.057 -0.501 5.879) 7.160 17.866 ( -0.133 -9.219 8.088) 12.265 17.876 ( -0.256 -7.667 7.280) 10.576 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -11.488 10.677 6.460) 16.962 1.934 ( 11.488 10.677 6.460) 16.962 2.180 ( -1.380 1.644 5.971) 6.345 2.180 ( 1.380 1.644 5.971) 6.345 2.297 ( -3.091 1.788 2.138) 4.162 2.297 ( 3.091 1.788 2.138) 4.162 2.385 ( -1.853 2.852 -0.325) 3.417 2.385 ( 1.853 2.852 -0.325) 3.417 2.589 ( -2.129 1.981 -0.416) 2.938 2.589 ( 2.129 1.981 -0.416) 2.938 2.843 ( -1.630 -3.592 2.754) 4.811 2.843 ( 1.630 -3.592 2.754) 4.811 2.969 ( -5.382 -3.469 -5.144) 8.213 2.969 ( 5.382 -3.469 -5.144) 8.213 3.035 ( -6.179 -3.987 5.544) 9.209 3.035 ( 6.179 -3.987 5.544) 9.209 3.216 ( -3.061 2.536 2.062) 4.478 3.216 ( 3.061 2.536 2.062) 4.478 3.384 ( -2.173 5.296 -3.224) 6.570 3.384 ( 2.173 5.296 -3.224) 6.570 3.570 ( -2.672 -2.342 -0.753) 3.631 3.570 ( 2.672 -2.342 -0.753) 3.631 3.733 ( -2.516 0.436 0.418) 2.587 3.733 ( 2.516 0.436 0.418) 2.587 3.847 ( -1.189 -3.481 0.636) 3.733 3.847 ( 1.189 -3.481 0.636) 3.733 3.967 ( -0.967 6.441 2.011) 6.817 3.967 ( 0.967 6.441 2.011) 6.817 4.088 ( -3.350 4.856 3.414) 6.816 4.088 ( 3.350 4.856 3.414) 6.816 4.611 ( -5.579 6.963 -0.998) 8.978 4.611 ( 5.579 6.963 -0.998) 8.978 4.921 ( -8.531 1.440 -2.942) 9.138 4.921 ( 8.531 1.440 -2.942) 9.138 5.016 ( -3.258 0.424 -4.835) 5.846 5.016 ( 3.258 0.424 -4.835) 5.846 5.187 ( -3.763 3.647 3.546) 6.327 5.187 ( 3.763 3.647 3.546) 6.327 5.295 ( -3.572 3.414 0.568) 4.974 5.295 ( 3.572 3.414 0.568) 4.974 5.524 ( -1.770 1.688 4.563) 5.177 5.524 ( 1.770 1.688 4.563) 5.177 5.779 ( -4.435 -7.686 -0.721) 8.903 5.779 ( 4.435 -7.686 -0.721) 8.903 6.335 ( -1.786 22.095 4.988) 22.722 6.335 ( 1.786 22.095 4.988) 22.722 6.514 ( -1.058 20.610 -0.205) 20.638 6.514 ( 1.058 20.610 -0.205) 20.638 6.881 ( -5.529 1.711 -5.702) 8.125 6.881 ( 5.529 1.711 -5.702) 8.125 7.151 ( -2.546 -1.675 -6.649) 7.315 7.151 ( 2.546 -1.675 -6.649) 7.315 7.406 ( -3.475 -0.032 -4.014) 5.309 7.406 ( 3.475 -0.032 -4.014) 5.309 7.673 ( -4.288 -5.441 -5.063) 8.581 7.673 ( 4.288 -5.441 -5.063) 8.581 7.974 ( -5.083 11.104 3.627) 12.739 7.974 ( 5.083 11.104 3.627) 12.739 8.295 ( -9.659 3.896 -2.371) 10.682 8.295 ( 9.659 3.896 -2.371) 10.682 8.653 ( -7.486 14.279 4.653) 16.780 8.653 ( 7.486 14.279 4.653) 16.780 8.904 ( -5.028 -2.465 2.776) 6.250 8.904 ( 5.028 -2.465 2.776) 6.250 9.228 ( -1.843 15.140 -1.963) 15.378 9.228 ( 1.843 15.140 -1.963) 15.378 9.709 ( -12.045 9.030 7.680) 16.900 9.709 ( 12.045 9.030 7.680) 16.900 10.136 ( -7.978 10.295 4.164) 13.674 10.136 ( 7.978 10.295 4.164) 13.674 10.409 ( -9.792 9.727 -11.117) 17.722 10.409 ( 9.792 9.727 -11.117) 17.722 10.701 ( -6.118 7.773 -3.033) 10.346 10.701 ( 6.118 7.773 -3.033) 10.346 10.888 ( -5.713 1.112 2.421) 6.303 10.888 ( 5.713 1.112 2.421) 6.303 11.127 ( -9.416 17.159 -1.865) 19.662 11.127 ( 9.416 17.159 -1.865) 19.662 11.560 ( -7.351 16.824 -2.128) 18.482 11.560 ( 7.351 16.824 -2.128) 18.482 11.778 ( -1.456 12.578 -1.200) 12.719 11.778 ( 1.456 12.578 -1.200) 12.719 12.150 ( -2.468 17.374 -0.165) 17.549 12.150 ( 2.468 17.374 -0.165) 17.549 12.519 ( -2.035 -6.258 2.639) 7.090 12.519 ( 2.035 -6.258 2.639) 7.090 12.793 ( -1.072 -4.630 1.203) 4.902 12.793 ( 1.072 -4.630 1.203) 4.902 13.150 ( -3.657 -14.337 4.004) 15.328 13.150 ( 3.657 -14.337 4.004) 15.328 13.484 ( -3.616 -8.884 -2.407) 9.889 13.484 ( 3.616 -8.884 -2.407) 9.889 14.065 ( -4.757 6.593 -8.768) 11.957 14.065 ( 4.757 6.593 -8.768) 11.957 14.746 ( -0.335 -7.021 -5.595) 8.984 14.746 ( 0.335 -7.021 -5.595) 8.984 15.054 ( -3.749 9.598 4.600) 11.284 15.054 ( 3.749 9.598 4.600) 11.284 15.727 ( -6.943 -2.854 -4.018) 8.514 15.727 ( 6.943 -2.854 -4.018) 8.514 16.156 ( -2.422 -4.587 -6.141) 8.038 16.156 ( 2.422 -4.587 -6.141) 8.038 16.842 ( -2.843 -13.853 -6.198) 15.441 16.842 ( 2.843 -13.853 -6.198) 15.441 17.495 ( -6.219 0.487 9.349) 11.239 17.495 ( 6.219 0.487 9.349) 11.239 17.869 ( -0.343 -8.495 7.876) 11.590 17.869 ( 0.343 -8.495 7.876) 11.590 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 9.672 8.013) 12.560 2.069 ( 0.000 -4.153 6.009) 7.305 2.148 ( 0.000 7.713 7.118) 10.496 2.245 ( 0.000 -2.251 4.021) 4.608 2.328 ( 0.000 4.636 4.707) 6.607 2.386 ( 0.000 -0.081 2.326) 2.327 2.477 ( 0.000 0.597 3.684) 3.732 2.553 ( 0.000 -6.721 4.448) 8.060 2.608 ( 0.000 3.852 -0.402) 3.873 2.649 ( 0.000 1.428 0.129) 1.434 2.702 ( 0.000 -2.272 7.120) 7.473 2.767 ( 0.000 -6.820 5.203) 8.578 2.871 ( 0.000 2.996 0.296) 3.011 2.943 ( 0.000 -4.534 3.829) 5.934 2.979 ( 0.000 4.587 1.174) 4.735 3.115 ( 0.000 -6.307 -0.943) 6.377 3.227 ( 0.000 2.049 -7.866) 8.129 3.237 ( 0.000 1.182 -6.750) 6.852 3.383 ( 0.000 0.725 -4.106) 4.169 3.429 ( 0.000 1.357 -3.863) 4.094 3.450 ( 0.000 -3.665 -4.037) 5.453 3.502 ( 0.000 -0.571 -1.472) 1.579 3.578 ( 0.000 4.157 -3.284) 5.297 3.656 ( 0.000 -3.244 -2.884) 4.341 3.790 ( 0.000 -0.940 3.617) 3.737 3.847 ( 0.000 -4.789 4.091) 6.299 4.178 ( 0.000 7.890 -5.040) 9.362 4.253 ( 0.000 -1.058 -6.749) 6.831 4.436 ( 0.000 13.014 8.728) 15.670 4.487 ( 0.000 1.122 3.647) 3.815 4.539 ( 0.000 1.978 1.761) 2.648 4.564 ( 0.000 0.429 7.277) 7.290 4.602 ( 0.000 6.199 3.054) 6.910 4.805 ( 0.000 -5.088 -1.568) 5.324 5.043 ( 0.000 0.997 -4.223) 4.339 5.050 ( 0.000 1.054 -5.127) 5.234 5.266 ( 0.000 2.028 2.019) 2.861 5.321 ( 0.000 0.814 1.551) 1.752 5.385 ( 0.000 1.474 -0.355) 1.516 5.403 ( 0.000 -3.051 -0.306) 3.066 5.507 ( 0.000 2.957 2.902) 4.143 5.558 ( 0.000 1.064 2.767) 2.965 5.591 ( 0.000 -2.367 1.641) 2.880 5.629 ( 0.000 -9.705 0.685) 9.729 6.556 ( 0.000 9.962 2.858) 10.364 6.661 ( 0.000 -1.676 1.989) 2.602 6.775 ( 0.000 11.331 3.094) 11.746 6.810 ( 0.000 6.564 2.172) 6.913 6.993 ( 0.000 13.296 -6.475) 14.789 7.005 ( 0.000 3.876 -5.559) 6.777 7.069 ( 0.000 -0.991 -4.699) 4.802 7.094 ( 0.000 -1.419 -5.873) 6.042 7.416 ( 0.000 2.663 -7.588) 8.041 7.427 ( 0.000 -1.688 -8.398) 8.566 7.513 ( 0.000 -2.574 3.772) 4.566 7.621 ( 0.000 -9.424 -0.965) 9.474 8.186 ( 0.000 2.563 -2.197) 3.375 8.203 ( 0.000 1.452 0.583) 1.564 8.474 ( 0.000 3.351 2.823) 4.382 8.515 ( 0.000 -0.893 5.693) 5.762 8.615 ( 0.000 7.221 -9.480) 11.917 8.764 ( 0.000 -7.576 -10.141) 12.658 8.991 ( 0.000 3.838 3.429) 5.146 9.018 ( 0.000 0.465 1.000) 1.103 9.147 ( 0.000 10.706 3.891) 11.391 9.245 ( 0.000 0.467 5.204) 5.225 9.615 ( 0.000 14.104 3.513) 14.535 9.820 ( 0.000 -1.353 -4.002) 4.224 10.004 ( 0.000 3.334 8.677) 9.296 10.167 ( 0.000 -8.094 5.724) 9.913 10.305 ( 0.000 7.346 7.451) 10.463 10.405 ( 0.000 -2.622 -1.011) 2.810 10.806 ( 0.000 11.040 12.983) 17.042 10.894 ( 0.000 6.031 9.571) 11.313 11.152 ( 0.000 3.619 -7.707) 8.515 11.171 ( 0.000 2.128 -13.141) 13.312 11.521 ( 0.000 15.158 -7.598) 16.956 11.619 ( 0.000 5.460 -11.459) 12.693 11.818 ( 0.000 10.306 -10.039) 14.388 11.837 ( 0.000 11.097 -4.177) 11.857 11.857 ( 0.000 6.383 1.986) 6.685 11.969 ( 0.000 -0.960 5.300) 5.386 12.428 ( 0.000 10.323 2.490) 10.619 12.481 ( 0.000 -1.646 3.426) 3.801 12.504 ( 0.000 0.336 1.772) 1.804 12.559 ( 0.000 4.346 6.466) 7.791 12.614 ( 0.000 -9.377 -4.354) 10.338 12.814 ( 0.000 1.045 -0.675) 1.245 12.974 ( 0.000 1.378 -1.140) 1.788 13.122 ( 0.000 0.274 9.593) 9.597 13.212 ( 0.000 -9.995 -4.807) 11.091 13.284 ( 0.000 -12.640 3.826) 13.207 14.227 ( 0.000 10.119 -9.141) 13.637 14.351 ( 0.000 1.391 -11.890) 11.971 14.523 ( 0.000 -7.574 -10.808) 13.197 14.587 ( 0.000 -8.520 -10.209) 13.297 15.174 ( 0.000 13.557 7.465) 15.477 15.434 ( 0.000 -2.411 0.523) 2.467 15.445 ( 0.000 7.433 4.491) 8.685 15.520 ( 0.000 -7.639 0.064) 7.639 16.060 ( 0.000 -5.738 -6.199) 8.447 16.110 ( 0.000 -7.260 -9.833) 12.223 16.585 ( 0.000 0.334 -6.794) 6.803 16.689 ( 0.000 -8.546 -9.510) 12.786 17.447 ( 0.000 8.847 12.819) 15.576 17.646 ( 0.000 -8.304 9.719) 12.783 17.674 ( 0.000 -0.262 6.505) 6.511 17.755 ( 0.000 -5.716 6.902) 8.962 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 4.574 9.261 5.274) 11.598 2.098 ( 2.712 -3.661 3.592) 5.802 2.157 ( -0.059 4.917 4.987) 7.004 2.223 ( -1.904 -1.511 3.348) 4.137 2.340 ( 0.970 4.705 6.518) 8.098 2.393 ( -0.093 0.053 4.381) 4.382 2.469 ( 0.180 3.721 0.314) 3.739 2.527 ( -6.756 1.403 0.100) 6.901 2.608 ( -2.021 -0.252 1.703) 2.654 2.630 ( 4.311 -6.639 4.349) 9.032 2.727 ( -0.308 2.207 5.356) 5.801 2.767 ( 0.587 2.011 5.422) 5.813 2.800 ( -0.850 -2.253 2.383) 3.387 2.910 ( -2.150 -7.996 1.961) 8.509 2.976 ( -1.681 0.166 1.523) 2.274 3.042 ( -4.924 -5.333 0.270) 7.264 3.277 ( 3.136 2.656 -4.260) 5.919 3.286 ( 1.481 1.614 -4.961) 5.423 3.382 ( 0.442 3.782 -3.179) 4.960 3.457 ( 2.167 0.628 -5.200) 5.668 3.492 ( 1.749 -1.161 -3.188) 3.817 3.555 ( 4.987 -4.517 -2.757) 7.272 3.578 ( 0.138 1.553 -4.288) 4.563 3.645 ( 0.008 -3.459 -2.153) 4.074 3.770 ( 0.055 0.976 4.328) 4.437 3.844 ( -0.114 -5.554 3.397) 6.511 4.048 ( -9.441 3.709 -3.173) 10.628 4.115 ( -10.269 -2.941 -3.369) 11.200 4.423 ( 0.232 18.117 6.882) 19.381 4.496 ( -1.886 15.513 5.584) 16.595 4.566 ( 5.484 1.698 3.920) 6.952 4.702 ( 9.368 -1.026 -0.280) 9.428 4.755 ( 5.902 -5.057 0.355) 7.781 4.798 ( 3.815 -2.830 -0.661) 4.796 5.037 ( -1.301 0.897 -4.807) 5.060 5.060 ( -0.240 -0.545 -5.545) 5.576 5.249 ( -1.498 2.054 2.129) 3.316 5.287 ( -4.990 3.472 2.026) 6.408 5.317 ( -1.433 -1.752 1.487) 2.708 5.368 ( -3.285 -3.710 0.270) 4.963 5.528 ( 1.402 2.761 2.405) 3.921 5.558 ( 0.063 1.615 2.499) 2.977 5.614 ( 1.331 -3.022 1.183) 3.508 5.640 ( 0.493 -8.183 0.522) 8.214 6.589 ( 2.898 9.929 3.022) 10.776 6.688 ( 2.245 -0.578 1.875) 2.982 6.728 ( -3.025 10.393 2.718) 11.161 6.799 ( -1.740 3.998 2.676) 5.116 6.987 ( 0.639 12.763 -5.385) 13.867 7.024 ( 1.217 6.763 -4.949) 8.469 7.086 ( 1.360 0.295 -4.503) 4.713 7.132 ( 2.169 -1.648 -5.360) 6.012 7.399 ( -0.984 1.862 -6.666) 6.991 7.436 ( -0.156 -0.683 -7.005) 7.040 7.490 ( -1.395 -4.739 0.329) 4.951 7.588 ( -3.045 -9.708 -2.364) 10.445 8.137 ( -2.019 5.819 0.038) 6.160 8.209 ( 1.132 -0.895 0.433) 1.506 8.351 ( -9.929 7.366 -0.053) 12.363 8.469 ( -6.967 -3.787 1.176) 8.016 8.672 ( 6.375 5.029 -5.920) 10.049 8.755 ( 1.700 -2.953 -7.152) 7.922 8.926 ( -2.252 2.410 5.911) 6.769 8.944 ( -1.672 0.032 5.244) 5.504 9.417 ( 14.249 10.324 1.471) 17.657 9.443 ( 10.444 8.314 5.490) 14.434 9.630 ( 2.353 9.263 4.713) 10.656 9.820 ( -0.848 -6.672 -2.750) 7.266 10.113 ( 11.507 5.653 4.860) 13.711 10.214 ( 5.452 -2.525 -0.588) 6.037 10.420 ( 6.889 1.966 0.916) 7.223 10.473 ( 8.565 -0.727 2.506) 8.954 10.665 ( -9.310 12.084 9.871) 18.170 10.862 ( -5.161 -4.556 9.159) 11.458 11.045 ( -8.033 7.483 -10.909) 15.476 11.105 ( -8.786 0.926 -9.158) 12.725 11.552 ( 1.013 18.331 -4.012) 18.793 11.583 ( -2.938 11.781 -7.947) 14.511 11.751 ( -1.701 7.458 -3.256) 8.314 11.801 ( -2.058 2.968 -7.240) 8.091 11.958 ( 7.277 10.557 3.324) 13.246 12.022 ( 4.111 4.366 2.022) 6.328 12.388 ( -6.415 1.676 5.192) 8.422 12.446 ( -0.272 2.283 0.501) 2.353 12.474 ( -4.419 -1.778 4.699) 6.691 12.522 ( -4.505 11.009 4.621) 12.761 12.650 ( 3.557 -12.417 -3.033) 13.268 12.826 ( 2.072 13.252 -2.217) 13.595 12.898 ( -4.901 -12.782 2.340) 13.888 13.029 ( -5.834 1.703 3.481) 7.004 13.224 ( -0.667 -14.036 -3.625) 14.512 13.263 ( -1.758 -12.905 1.840) 13.153 14.229 ( 0.989 12.244 -9.256) 15.380 14.337 ( -2.090 8.780 -11.661) 14.745 14.515 ( 0.386 -11.790 -9.176) 14.945 14.579 ( -1.107 -10.540 -10.478) 14.903 15.210 ( 3.139 13.632 7.101) 15.688 15.358 ( -3.608 11.453 4.109) 12.691 15.509 ( 2.498 -14.462 2.781) 14.937 15.554 ( 1.771 -5.664 -0.746) 5.981 16.101 ( 5.675 3.011 -6.446) 9.101 16.213 ( 6.706 -1.862 -10.833) 12.876 16.541 ( -3.467 -4.566 -6.585) 8.731 16.645 ( -4.261 -10.885 -9.714) 15.199 17.480 ( 3.012 7.842 11.975) 14.628 17.634 ( -2.719 3.097 7.353) 8.429 17.666 ( 0.952 -9.971 9.815) 14.024 17.737 ( -1.553 -6.498 7.568) 10.095 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -5.802 5.514 1.782) 8.200 2.100 ( 5.802 5.514 1.782) 8.200 2.169 ( -3.520 -2.136 2.051) 4.600 2.169 ( 3.520 -2.136 2.051) 4.600 2.370 ( -3.375 6.012 5.477) 8.805 2.370 ( 3.375 6.012 5.477) 8.805 2.439 ( -2.848 0.717 3.152) 4.308 2.439 ( 2.848 0.717 3.152) 4.308 2.643 ( -4.358 2.758 1.615) 5.405 2.643 ( 4.358 2.758 1.615) 5.405 2.735 ( -4.878 -7.187 3.877) 9.513 2.735 ( 4.878 -7.187 3.877) 9.513 2.873 ( -4.976 -0.052 2.597) 5.613 2.873 ( 4.976 -0.052 2.597) 5.613 2.954 ( -2.711 -5.882 3.436) 7.332 2.954 ( 2.711 -5.882 3.436) 7.332 3.305 ( -0.808 6.263 -2.774) 6.897 3.305 ( 0.808 6.263 -2.774) 6.897 3.416 ( -3.491 -3.436 -3.574) 6.064 3.416 ( 3.491 -3.436 -3.574) 6.064 3.553 ( -1.742 2.566 -2.458) 3.957 3.553 ( 1.742 2.566 -2.458) 3.957 3.644 ( -1.622 -5.924 -3.662) 7.151 3.644 ( 1.622 -5.924 -3.662) 7.151 3.850 ( -6.673 2.609 0.521) 7.184 3.850 ( 6.673 2.609 0.521) 7.184 3.920 ( -6.464 -4.227 0.063) 7.724 3.920 ( 6.464 -4.227 0.063) 7.724 4.452 ( -2.097 19.852 5.936) 20.826 4.452 ( 2.097 19.852 5.936) 20.826 4.683 ( -5.104 -2.002 1.380) 5.654 4.683 ( 5.104 -2.002 1.380) 5.654 4.931 ( -9.085 0.382 -3.101) 9.607 4.931 ( 9.085 0.382 -3.101) 9.607 4.979 ( -7.719 -4.124 -3.620) 9.471 4.979 ( 7.719 -4.124 -3.620) 9.471 5.230 ( -0.277 3.451 2.301) 4.157 5.230 ( 0.277 3.451 2.301) 4.157 5.315 ( -1.393 -3.164 1.266) 3.681 5.315 ( 1.393 -3.164 1.266) 3.681 5.552 ( -0.814 2.696 2.390) 3.694 5.552 ( 0.814 2.696 2.390) 3.694 5.636 ( -0.824 -5.789 0.583) 5.876 5.636 ( 0.824 -5.789 0.583) 5.876 6.657 ( -3.404 10.223 3.204) 11.241 6.657 ( 3.404 10.223 3.204) 11.241 6.749 ( -2.834 1.170 2.015) 3.669 6.749 ( 2.834 1.170 2.015) 3.669 7.019 ( -1.643 11.248 -4.457) 12.209 7.019 ( 1.643 11.248 -4.457) 12.209 7.131 ( -2.230 -0.979 -4.308) 4.949 7.131 ( 2.230 -0.979 -4.308) 4.949 7.401 ( -1.608 1.182 -4.401) 4.832 7.401 ( 1.608 1.182 -4.401) 4.832 7.515 ( -3.340 -9.167 -4.835) 10.889 7.515 ( 3.340 -9.167 -4.835) 10.889 8.172 ( -5.881 8.556 0.419) 10.391 8.172 ( 5.881 8.556 0.419) 10.391 8.296 ( -7.382 -3.602 -1.013) 8.276 8.296 ( 7.382 -3.602 -1.013) 8.276 8.824 ( -6.068 4.211 0.627) 7.412 8.824 ( 6.068 4.211 0.627) 7.412 8.870 ( -5.285 -1.375 1.725) 5.727 8.870 ( 5.285 -1.375 1.725) 5.727 9.548 ( -1.864 14.994 2.297) 15.283 9.548 ( 1.864 14.994 2.297) 15.283 9.754 ( -6.609 -4.983 4.848) 9.592 9.754 ( 6.609 -4.983 4.848) 9.592 10.326 ( -8.655 10.427 3.679) 14.042 10.326 ( 8.655 10.427 3.679) 14.042 10.479 ( -9.966 -2.962 -6.507) 12.265 10.479 ( 9.966 -2.962 -6.507) 12.265 10.796 ( -14.698 3.069 -1.208) 15.064 10.796 ( 14.698 3.069 -1.208) 15.064 10.860 ( -9.055 -3.161 -0.401) 9.599 10.860 ( 9.055 -3.161 -0.401) 9.599 11.546 ( -0.153 21.122 -2.417) 21.260 11.546 ( 0.153 21.122 -2.417) 21.260 11.767 ( -1.756 1.119 -5.249) 5.647 11.767 ( 1.756 1.119 -5.249) 5.647 12.096 ( -1.648 15.046 3.350) 15.502 12.096 ( 1.648 15.046 3.350) 15.502 12.293 ( -3.734 -5.859 6.991) 9.856 12.293 ( 3.734 -5.859 6.991) 9.856 12.472 ( -1.380 7.558 -0.133) 7.685 12.472 ( 1.380 7.558 -0.133) 7.685 12.755 ( -6.461 -11.852 -1.014) 13.536 12.755 ( 6.461 -11.852 -1.014) 13.536 12.929 ( -4.917 6.301 1.335) 8.103 12.929 ( 4.917 6.301 1.335) 8.103 13.223 ( -1.465 -16.448 -2.019) 16.636 13.223 ( 1.465 -16.448 -2.019) 16.636 14.275 ( -3.200 13.448 -10.071) 17.103 14.275 ( 3.200 13.448 -10.071) 17.103 14.544 ( -1.975 -12.874 -9.571) 16.163 14.544 ( 1.975 -12.874 -9.571) 16.163 15.284 ( -3.733 13.299 5.941) 15.036 15.284 ( 3.733 13.299 5.941) 15.036 15.553 ( -1.544 -13.156 1.117) 13.294 15.553 ( 1.544 -13.156 1.117) 13.294 16.245 ( -5.463 11.945 -8.822) 15.822 16.245 ( 5.463 11.945 -8.822) 15.822 16.537 ( -4.642 -16.323 -8.672) 19.058 16.537 ( 4.642 -16.323 -8.672) 19.058 17.557 ( -4.212 5.579 9.784) 12.024 17.557 ( 4.212 5.579 9.784) 12.024 17.699 ( -1.978 -8.387 8.963) 12.433 17.699 ( 1.978 -8.387 8.963) 12.433 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 0.000 19.435) 19.435 1.801 ( 0.000 0.000 22.262) 22.262 1.811 ( 0.000 0.000 -13.523) 13.523 2.115 ( 0.000 0.000 10.001) 10.001 2.148 ( 0.000 0.000 -9.418) 9.418 2.262 ( 0.000 0.000 -3.396) 3.396 2.421 ( 0.000 0.000 6.347) 6.347 2.431 ( 0.000 0.000 1.909) 1.909 2.471 ( 0.000 0.000 5.781) 5.781 2.580 ( 0.000 0.000 -0.169) 0.169 2.634 ( 0.000 0.000 -4.119) 4.119 2.662 ( 0.000 0.000 0.232) 0.232 2.677 ( 0.000 0.000 -7.885) 7.885 2.771 ( 0.000 0.000 -8.364) 8.364 2.823 ( 0.000 0.000 17.252) 17.252 3.006 ( 0.000 0.000 3.703) 3.703 3.113 ( 0.000 0.000 -9.981) 9.981 3.115 ( 0.000 0.000 -6.902) 6.902 3.177 ( 0.000 0.000 9.696) 9.696 3.204 ( 0.000 0.000 1.216) 1.216 3.306 ( 0.000 0.000 3.092) 3.092 3.588 ( 0.000 0.000 -9.749) 9.749 3.852 ( 0.000 0.000 7.424) 7.424 3.955 ( 0.000 0.000 0.618) 0.618 3.971 ( 0.000 0.000 -2.472) 2.472 4.018 ( 0.000 0.000 3.038) 3.038 4.031 ( 0.000 0.000 -1.929) 1.929 4.032 ( 0.000 0.000 -11.472) 11.472 4.106 ( 0.000 0.000 1.297) 1.297 4.113 ( 0.000 0.000 0.439) 0.439 4.228 ( 0.000 0.000 -0.622) 0.622 4.259 ( 0.000 0.000 -4.014) 4.014 4.556 ( 0.000 0.000 3.678) 3.678 4.590 ( 0.000 0.000 1.030) 1.030 4.663 ( 0.000 0.000 2.640) 2.640 4.723 ( 0.000 0.000 -3.053) 3.053 4.843 ( 0.000 0.000 4.620) 4.620 4.869 ( 0.000 0.000 -0.324) 0.324 4.969 ( 0.000 0.000 -1.500) 1.500 4.979 ( 0.000 0.000 1.470) 1.470 5.402 ( 0.000 0.000 -1.225) 1.225 5.417 ( 0.000 0.000 -0.157) 0.157 5.461 ( 0.000 0.000 4.058) 4.058 5.577 ( 0.000 0.000 -7.274) 7.274 5.671 ( 0.000 0.000 0.143) 0.143 5.680 ( 0.000 0.000 -0.042) 0.042 5.825 ( 0.000 0.000 9.447) 9.447 6.021 ( 0.000 0.000 -9.297) 9.297 6.715 ( 0.000 0.000 12.030) 12.030 6.853 ( 0.000 0.000 -1.442) 1.442 7.016 ( 0.000 0.000 2.522) 2.522 7.112 ( 0.000 0.000 -6.023) 6.023 7.130 ( 0.000 0.000 1.061) 1.061 7.192 ( 0.000 0.000 -5.348) 5.348 7.292 ( 0.000 0.000 12.834) 12.834 7.481 ( 0.000 0.000 -8.256) 8.256 7.706 ( 0.000 0.000 3.505) 3.505 7.831 ( 0.000 0.000 3.404) 3.404 7.943 ( 0.000 0.000 -14.554) 14.554 7.950 ( 0.000 0.000 -7.109) 7.109 8.389 ( 0.000 0.000 4.960) 4.960 8.438 ( 0.000 0.000 1.444) 1.444 8.608 ( 0.000 0.000 4.475) 4.475 8.702 ( 0.000 0.000 -2.733) 2.733 8.899 ( 0.000 0.000 6.377) 6.377 8.972 ( 0.000 0.000 -1.129) 1.129 9.088 ( 0.000 0.000 2.235) 2.235 9.129 ( 0.000 0.000 1.775) 1.775 9.146 ( 0.000 0.000 -5.960) 5.960 9.180 ( 0.000 0.000 -2.731) 2.731 10.043 ( 0.000 0.000 2.395) 2.395 10.118 ( 0.000 0.000 -5.517) 5.517 10.196 ( 0.000 0.000 3.452) 3.452 10.312 ( 0.000 0.000 -6.672) 6.672 10.567 ( 0.000 0.000 3.753) 3.753 10.671 ( 0.000 0.000 -4.321) 4.321 10.969 ( 0.000 0.000 -1.354) 1.354 11.007 ( 0.000 0.000 7.618) 7.618 11.041 ( 0.000 0.000 4.591) 4.591 11.066 ( 0.000 0.000 -8.594) 8.594 11.253 ( 0.000 0.000 -0.269) 0.269 11.329 ( 0.000 0.000 -7.824) 7.824 11.403 ( 0.000 0.000 0.801) 0.801 11.436 ( 0.000 0.000 -2.484) 2.484 12.858 ( 0.000 0.000 3.742) 3.742 12.870 ( 0.000 0.000 2.702) 2.702 12.898 ( 0.000 0.000 -0.289) 0.289 12.910 ( 0.000 0.000 -1.459) 1.459 13.389 ( 0.000 0.000 8.757) 8.757 13.496 ( 0.000 0.000 -2.541) 2.541 13.756 ( 0.000 0.000 14.544) 14.544 14.100 ( 0.000 0.000 -16.426) 16.426 14.109 ( 0.000 0.000 4.917) 4.917 14.174 ( 0.000 0.000 10.204) 10.204 14.205 ( 0.000 0.000 -4.338) 4.338 14.419 ( 0.000 0.000 -15.023) 15.023 14.945 ( 0.000 0.000 -0.401) 0.401 14.979 ( 0.000 0.000 -2.868) 2.868 15.842 ( 0.000 0.000 14.254) 14.254 16.128 ( 0.000 0.000 10.930) 10.930 16.131 ( 0.000 0.000 -13.370) 13.370 16.356 ( 0.000 0.000 -10.695) 10.695 17.304 ( 0.000 0.000 1.747) 1.747 17.332 ( 0.000 0.000 -1.314) 1.314 17.635 ( 0.000 0.000 6.853) 6.853 17.757 ( 0.000 0.000 -4.886) 4.886 18.212 ( 0.000 0.000 4.360) 4.360 18.260 ( 0.000 0.000 -0.208) 0.208 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 4.562 0.000 17.941) 18.512 1.780 ( -4.210 0.000 -2.796) 5.053 1.795 ( 1.110 0.000 23.139) 23.165 2.047 ( -2.178 0.000 1.001) 2.397 2.112 ( -6.049 0.000 3.596) 7.037 2.214 ( -5.552 0.000 -9.726) 11.199 2.274 ( -7.306 0.000 -7.310) 10.335 2.412 ( -6.256 0.000 -1.158) 6.362 2.433 ( -2.892 0.000 -1.555) 3.283 2.435 ( -2.181 0.000 -0.384) 2.215 2.706 ( 4.833 0.000 0.089) 4.834 2.713 ( 6.173 0.000 6.585) 9.025 2.757 ( 4.720 0.000 -3.256) 5.734 2.884 ( 7.519 0.000 -9.118) 11.818 2.948 ( 3.249 0.000 7.176) 7.877 2.969 ( -3.546 0.000 4.807) 5.974 3.067 ( -3.332 0.000 -4.403) 5.521 3.093 ( -2.168 0.000 -7.291) 7.606 3.253 ( 11.143 0.000 9.823) 14.855 3.329 ( 6.808 0.000 -3.045) 7.458 3.382 ( 8.416 0.000 11.734) 14.440 3.668 ( 5.041 0.000 -2.579) 5.662 3.836 ( -8.806 0.000 -1.844) 8.997 3.846 ( -0.257 0.000 7.277) 7.281 3.915 ( -4.048 0.000 2.054) 4.539 3.937 ( -3.584 0.000 -11.411) 11.960 3.975 ( 0.732 0.000 1.295) 1.488 4.044 ( -1.428 0.000 -5.792) 5.965 4.162 ( 1.536 0.000 2.659) 3.071 4.211 ( 3.328 0.000 -4.829) 5.865 4.284 ( 4.773 0.000 2.017) 5.181 4.324 ( 3.901 0.000 -1.766) 4.282 4.341 ( -13.748 0.000 13.050) 18.955 4.529 ( -7.046 0.000 -4.750) 8.498 4.641 ( -1.380 0.000 1.693) 2.184 4.695 ( -2.534 0.000 -3.161) 4.052 4.858 ( 2.176 0.000 3.493) 4.115 4.898 ( 0.345 0.000 -0.022) 0.346 4.944 ( 0.584 0.000 -3.690) 3.735 4.989 ( -1.545 0.000 -6.195) 6.384 5.419 ( 2.094 0.000 1.569) 2.617 5.442 ( 0.982 0.000 0.158) 0.995 5.504 ( 3.864 0.000 4.932) 6.266 5.605 ( 1.350 0.000 -3.403) 3.661 5.675 ( 1.142 0.000 2.069) 2.363 5.707 ( 1.222 0.000 -0.516) 1.327 5.850 ( 2.737 0.000 4.417) 5.197 5.997 ( -2.321 0.000 -8.130) 8.455 6.710 ( -0.054 0.000 9.329) 9.329 6.811 ( -3.624 0.000 0.251) 3.632 7.030 ( 1.357 0.000 2.922) 3.222 7.109 ( -1.680 0.000 0.812) 1.866 7.134 ( 1.579 0.000 -5.195) 5.430 7.188 ( -0.537 0.000 -5.684) 5.709 7.281 ( -0.064 0.000 5.235) 5.236 7.439 ( -5.220 0.000 -9.801) 11.104 7.752 ( 6.354 0.000 11.390) 13.043 7.891 ( 5.944 0.000 2.383) 6.404 7.984 ( 3.583 0.000 -5.781) 6.801 7.993 ( 2.826 0.000 -7.190) 7.725 8.274 ( -9.352 0.000 3.275) 9.909 8.319 ( -10.090 0.000 -0.315) 10.094 8.534 ( -4.958 0.000 3.891) 6.302 8.704 ( -3.461 0.000 -8.877) 9.528 8.938 ( 4.800 0.000 3.205) 5.772 8.979 ( 2.641 0.000 -1.143) 2.877 9.126 ( -0.970 0.000 2.522) 2.702 9.146 ( 5.696 0.000 4.767) 7.428 9.166 ( -2.055 0.000 -1.188) 2.374 9.238 ( 5.360 0.000 -3.364) 6.328 9.973 ( -4.172 0.000 3.405) 5.385 10.080 ( -4.481 0.000 -7.253) 8.525 10.248 ( 6.277 0.000 7.998) 10.167 10.434 ( 10.413 0.000 -9.007) 13.769 10.586 ( 2.487 0.000 2.709) 3.677 10.685 ( 0.812 0.000 -6.330) 6.382 10.779 ( -15.452 0.000 11.726) 19.397 10.943 ( -1.767 0.000 -0.089) 1.769 10.968 ( -10.653 0.000 -5.643) 12.055 11.026 ( -3.557 0.000 -7.072) 7.916 11.264 ( 1.414 0.000 1.393) 1.985 11.314 ( -0.733 0.000 -2.752) 2.848 11.441 ( 1.942 0.000 -1.507) 2.458 11.454 ( 1.126 0.000 -2.203) 2.474 12.929 ( 3.145 0.000 1.320) 3.411 12.935 ( 6.178 0.000 4.869) 7.866 12.961 ( 3.007 0.000 -1.637) 3.424 12.977 ( 8.897 0.000 0.714) 8.926 13.330 ( -4.484 0.000 8.400) 9.522 13.447 ( -4.804 0.000 -3.204) 5.774 13.812 ( 4.859 0.000 13.345) 14.202 14.054 ( -4.836 0.000 3.547) 5.998 14.113 ( 0.551 0.000 3.380) 3.425 14.183 ( -1.959 0.000 -3.329) 3.863 14.186 ( 2.225 0.000 -9.613) 9.867 14.369 ( -4.532 0.000 -16.039) 16.667 14.947 ( 0.896 0.000 1.701) 1.922 14.991 ( 0.238 0.000 -2.061) 2.074 15.845 ( 0.585 0.000 10.643) 10.659 15.969 ( -6.075 0.000 1.304) 6.213 16.331 ( 9.096 0.000 -3.597) 9.781 16.408 ( 3.923 0.000 -8.252) 9.137 17.255 ( -3.670 0.000 1.040) 3.815 17.272 ( -4.448 0.000 -0.900) 4.538 17.681 ( 3.432 0.000 5.082) 6.132 17.761 ( -0.020 0.000 -2.471) 2.471 18.223 ( 0.923 0.000 3.601) 3.717 18.257 ( -0.368 0.000 0.420) 0.558 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -7.530 0.000 12.617) 14.693 1.644 ( 7.530 0.000 12.617) 14.693 1.903 ( -9.665 0.000 19.347) 21.627 1.903 ( 9.665 0.000 19.347) 21.627 2.089 ( -5.242 0.000 -10.499) 11.735 2.089 ( 5.242 0.000 -10.499) 11.735 2.272 ( -4.599 0.000 -14.945) 15.637 2.272 ( 4.599 0.000 -14.945) 15.637 2.418 ( -0.135 0.000 2.676) 2.679 2.418 ( 0.135 0.000 2.676) 2.679 2.789 ( -2.320 0.000 -0.931) 2.500 2.789 ( 2.320 0.000 -0.931) 2.500 2.859 ( -6.800 0.000 6.931) 9.710 2.859 ( 6.800 0.000 6.931) 9.710 2.988 ( -3.387 0.000 -0.699) 3.459 2.988 ( 3.387 0.000 -0.699) 3.459 3.020 ( -5.143 0.000 -8.224) 9.700 3.020 ( 5.143 0.000 -8.224) 9.700 3.415 ( -0.863 0.000 -2.280) 2.438 3.415 ( 0.863 0.000 -2.280) 2.438 3.638 ( -10.367 0.000 12.823) 16.490 3.638 ( 10.367 0.000 12.823) 16.490 3.793 ( -11.734 0.000 4.676) 12.632 3.793 ( 11.734 0.000 4.676) 12.632 3.856 ( -1.577 0.000 5.816) 6.026 3.856 ( 1.577 0.000 5.816) 6.026 4.006 ( -1.947 0.000 -4.439) 4.847 4.006 ( 1.947 0.000 -4.439) 4.847 4.150 ( -4.188 0.000 -0.547) 4.223 4.150 ( 4.188 0.000 -0.547) 4.223 4.357 ( -7.015 0.000 -6.794) 9.766 4.357 ( 6.652 0.000 -6.314) 9.172 4.357 ( -1.359 0.000 1.325) 1.899 4.357 ( 1.722 0.000 1.024) 2.003 4.642 ( -1.826 0.000 -1.531) 2.383 4.642 ( 1.826 0.000 -1.531) 2.383 4.892 ( -0.726 0.000 0.937) 1.186 4.892 ( 0.726 0.000 0.937) 1.186 4.962 ( -0.828 0.000 -5.451) 5.513 4.962 ( 0.828 0.000 -5.451) 5.513 5.448 ( -0.478 0.000 0.676) 0.828 5.448 ( 0.478 0.000 0.676) 0.828 5.587 ( -3.172 0.000 3.562) 4.770 5.587 ( 3.172 0.000 3.562) 4.770 5.707 ( -1.245 0.000 1.549) 1.987 5.707 ( 1.245 0.000 1.549) 1.987 5.929 ( -4.157 0.000 -4.171) 5.889 5.929 ( 4.157 0.000 -4.171) 5.889 6.736 ( -2.860 0.000 3.797) 4.754 6.736 ( 2.860 0.000 3.797) 4.754 7.068 ( -2.161 0.000 2.529) 3.326 7.068 ( 2.161 0.000 2.529) 3.326 7.167 ( -1.443 0.000 -5.738) 5.917 7.167 ( 1.443 0.000 -5.738) 5.917 7.323 ( -4.423 0.000 -3.876) 5.881 7.323 ( 4.423 0.000 -3.876) 5.881 7.933 ( -8.766 0.000 10.628) 13.777 7.933 ( 8.766 0.000 10.628) 13.777 8.062 ( -9.104 0.000 0.270) 9.108 8.062 ( 9.104 0.000 0.270) 9.108 8.111 ( -7.478 0.000 -1.630) 7.654 8.111 ( 7.478 0.000 -1.630) 7.654 8.556 ( -7.410 0.000 -9.862) 12.336 8.556 ( 7.410 0.000 -9.862) 12.336 9.056 ( -4.493 0.000 2.544) 5.163 9.056 ( 4.493 0.000 2.544) 5.163 9.087 ( -4.658 0.000 -0.699) 4.710 9.087 ( 4.658 0.000 -0.699) 4.710 9.261 ( -3.638 0.000 3.808) 5.267 9.261 ( 3.638 0.000 3.808) 5.267 9.969 ( -4.252 0.000 -3.211) 5.328 9.969 ( 4.252 0.000 -3.211) 5.328 10.462 ( -14.028 0.000 12.214) 18.600 10.462 ( 14.028 0.000 12.214) 18.600 10.661 ( -3.540 0.000 -3.411) 4.916 10.661 ( 3.540 0.000 -3.411) 4.916 10.695 ( -14.256 0.000 -9.801) 17.300 10.695 ( 14.256 0.000 -9.801) 17.300 10.949 ( -2.895 0.000 -2.460) 3.799 10.949 ( 2.895 0.000 -2.460) 3.799 11.294 ( -1.293 0.000 0.023) 1.293 11.294 ( 1.293 0.000 0.023) 1.293 11.464 ( -0.274 0.000 -2.073) 2.091 11.464 ( 0.274 0.000 -2.073) 2.091 12.984 ( -1.197 0.000 0.515) 1.303 12.984 ( 1.197 0.000 0.515) 1.303 13.062 ( -3.751 0.000 5.389) 6.566 13.062 ( 3.751 0.000 5.389) 6.566 13.319 ( -5.688 0.000 -0.847) 5.750 13.319 ( 5.688 0.000 -0.847) 5.750 13.932 ( -6.407 0.000 11.198) 12.902 13.932 ( 6.407 0.000 11.198) 12.902 14.138 ( -1.953 0.000 -0.282) 1.973 14.138 ( 1.953 0.000 -0.282) 1.973 14.264 ( -4.983 0.000 -16.156) 16.907 14.264 ( 4.983 0.000 -16.156) 16.907 14.977 ( -1.488 0.000 0.951) 1.766 14.977 ( 1.488 0.000 0.951) 1.766 15.878 ( -2.920 0.000 4.952) 5.749 15.878 ( 2.920 0.000 4.952) 5.749 16.449 ( -1.478 0.000 -5.344) 5.544 16.449 ( 1.478 0.000 -5.344) 5.544 17.211 ( -0.431 0.000 -0.193) 0.472 17.211 ( 0.431 0.000 -0.193) 0.472 17.741 ( -2.057 0.000 1.697) 2.667 17.741 ( 2.057 0.000 1.697) 2.667 18.243 ( -0.919 0.000 1.952) 2.157 18.243 ( 0.919 0.000 1.952) 2.157 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 18.174 15.733) 24.038 1.821 ( 0.000 2.763 19.164) 19.362 2.008 ( 0.000 14.511 -9.520) 17.356 2.173 ( 0.000 2.851 -8.488) 8.954 2.236 ( 0.000 8.304 7.136) 10.949 2.335 ( 0.000 4.789 -1.917) 5.159 2.402 ( 0.000 -1.550 6.838) 7.012 2.444 ( 0.000 2.099 1.250) 2.443 2.490 ( 0.000 3.560 3.216) 4.797 2.569 ( 0.000 1.748 2.043) 2.689 2.630 ( 0.000 -3.177 -9.664) 10.172 2.642 ( 0.000 0.729 -5.939) 5.983 2.729 ( 0.000 3.871 -1.836) 4.285 2.747 ( 0.000 2.991 6.691) 7.329 2.905 ( 0.000 2.998 5.834) 6.559 3.039 ( 0.000 2.929 2.175) 3.648 3.126 ( 0.000 2.425 -7.277) 7.670 3.164 ( 0.000 5.059 -5.277) 7.311 3.176 ( 0.000 0.934 9.186) 9.233 3.213 ( 0.000 0.980 2.433) 2.623 3.328 ( 0.000 2.074 2.427) 3.193 3.558 ( 0.000 -2.604 -8.356) 8.752 3.916 ( 0.000 -1.400 0.109) 1.404 3.921 ( 0.000 -2.121 -3.323) 3.943 3.956 ( 0.000 -5.817 0.041) 5.817 3.958 ( 0.000 -4.181 2.114) 4.685 4.033 ( 0.000 4.433 -2.307) 4.997 4.047 ( 0.000 -3.403 -1.331) 3.654 4.160 ( 0.000 7.253 2.380) 7.634 4.226 ( 0.000 13.057 -3.830) 13.607 4.482 ( 0.000 16.174 3.633) 16.577 4.537 ( 0.000 13.821 -1.038) 13.860 4.562 ( 0.000 7.186 1.001) 7.256 4.590 ( 0.000 0.689 -0.463) 0.831 4.637 ( 0.000 2.956 5.054) 5.855 4.745 ( 0.000 3.414 -4.783) 5.876 4.866 ( 0.000 3.187 2.021) 3.774 4.883 ( 0.000 1.911 -1.406) 2.372 5.010 ( 0.000 5.857 -0.715) 5.901 5.012 ( 0.000 5.314 1.527) 5.529 5.397 ( 0.000 1.047 -0.083) 1.051 5.413 ( 0.000 1.843 -0.032) 1.843 5.583 ( 0.000 10.068 4.144) 10.888 5.687 ( 0.000 9.894 -6.932) 12.081 5.730 ( 0.000 6.393 1.288) 6.521 5.753 ( 0.000 8.048 -0.466) 8.061 5.871 ( 0.000 2.738 8.203) 8.648 6.048 ( 0.000 1.219 -8.584) 8.670 6.831 ( 0.000 -1.908 3.514) 3.999 6.840 ( 0.000 11.753 5.296) 12.891 7.037 ( 0.000 0.090 0.534) 0.542 7.062 ( 0.000 -2.238 -2.350) 3.246 7.130 ( 0.000 2.686 -0.282) 2.701 7.167 ( 0.000 -1.752 -4.928) 5.230 7.449 ( 0.000 12.310 7.053) 14.188 7.548 ( 0.000 5.206 -4.663) 6.989 7.764 ( 0.000 5.432 2.914) 6.164 7.861 ( 0.000 3.984 5.920) 7.136 7.976 ( 0.000 2.860 -12.268) 12.597 8.037 ( 0.000 8.493 -10.527) 13.526 8.376 ( 0.000 -0.291 5.821) 5.828 8.458 ( 0.000 4.477 -0.447) 4.499 8.695 ( 0.000 7.589 5.181) 9.189 8.787 ( 0.000 6.282 -1.113) 6.380 8.918 ( 0.000 0.488 4.598) 4.624 8.983 ( 0.000 -2.783 -3.610) 4.558 9.124 ( 0.000 6.034 4.083) 7.286 9.201 ( 0.000 13.407 -2.641) 13.665 9.354 ( 0.000 15.396 -0.980) 15.427 9.365 ( 0.000 17.010 -2.998) 17.273 9.978 ( 0.000 -2.291 3.541) 4.217 10.073 ( 0.000 2.158 -5.674) 6.070 10.402 ( 0.000 15.060 2.451) 15.258 10.455 ( 0.000 11.041 -2.495) 11.319 10.554 ( 0.000 -0.584 3.720) 3.765 10.672 ( 0.000 0.070 -6.528) 6.529 10.889 ( 0.000 -4.753 3.476) 5.888 11.056 ( 0.000 0.855 -10.369) 10.404 11.097 ( 0.000 6.818 8.469) 10.873 11.163 ( 0.000 10.368 3.337) 10.892 11.349 ( 0.000 9.099 -3.639) 9.800 11.359 ( 0.000 3.227 -6.317) 7.093 11.486 ( 0.000 4.745 -1.116) 4.874 11.488 ( 0.000 7.996 -1.124) 8.075 12.762 ( 0.000 -4.264 4.254) 6.023 12.810 ( 0.000 -4.217 0.349) 4.232 12.981 ( 0.000 5.468 2.134) 5.870 13.029 ( 0.000 6.992 -1.482) 7.147 13.337 ( 0.000 -4.799 6.048) 7.721 13.418 ( 0.000 -7.701 -2.186) 8.005 13.734 ( 0.000 -2.025 14.277) 14.420 13.973 ( 0.000 -10.317 1.403) 10.412 13.979 ( 0.000 -9.562 0.692) 9.587 14.080 ( 0.000 -2.351 -17.453) 17.611 14.441 ( 0.000 13.669 4.626) 14.431 14.578 ( 0.000 12.738 -9.496) 15.888 14.912 ( 0.000 -3.366 -0.494) 3.402 14.950 ( 0.000 -2.871 -3.323) 4.391 15.797 ( 0.000 -4.398 14.093) 14.763 16.078 ( 0.000 -5.283 -12.796) 13.843 16.099 ( 0.000 -2.627 9.798) 10.144 16.317 ( 0.000 -3.891 -10.613) 11.304 17.254 ( 0.000 -5.531 0.435) 5.548 17.266 ( 0.000 -7.003 -0.887) 7.059 17.595 ( 0.000 -3.311 7.869) 8.537 17.724 ( 0.000 -2.804 -4.611) 5.396 18.184 ( 0.000 -2.831 4.154) 5.027 18.225 ( 0.000 -3.475 0.285) 3.486 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 3.354 14.598 16.279) 22.121 1.839 ( 2.536 6.853 19.075) 20.427 1.984 ( -3.353 15.041 -2.788) 15.660 2.134 ( -5.147 3.183 1.805) 6.315 2.155 ( -3.460 8.427 1.982) 9.323 2.264 ( -9.245 2.469 -3.960) 10.356 2.324 ( -3.602 4.693 -9.092) 10.848 2.379 ( -6.727 -2.355 -2.124) 7.438 2.435 ( -1.457 0.896 -0.999) 1.981 2.453 ( -1.767 2.763 -0.757) 3.366 2.704 ( 4.330 0.798 0.121) 4.405 2.743 ( 5.121 1.627 0.404) 5.388 2.764 ( 4.182 2.597 1.174) 5.061 2.854 ( 5.413 -0.331 -2.344) 5.908 2.978 ( -0.258 1.830 2.102) 2.799 3.038 ( 0.721 3.339 0.938) 3.542 3.078 ( -1.967 2.989 -1.471) 3.869 3.145 ( -1.500 5.052 -5.248) 7.437 3.259 ( 9.770 0.977 9.491) 13.656 3.339 ( 7.686 1.302 -1.572) 7.952 3.401 ( 8.074 1.970 9.316) 12.484 3.635 ( 4.853 -2.482 -2.291) 5.913 3.791 ( -7.576 -4.375 -0.036) 8.749 3.857 ( -3.903 -2.820 -6.459) 8.056 3.935 ( -1.327 -1.437 2.513) 3.185 3.958 ( -1.760 -1.686 0.676) 2.530 4.051 ( 2.257 5.071 -0.464) 5.570 4.095 ( 0.086 4.862 -5.271) 7.171 4.159 ( 0.901 3.523 3.875) 5.314 4.240 ( 0.938 1.838 -2.333) 3.115 4.312 ( -13.313 1.277 7.660) 15.412 4.454 ( -7.609 0.242 -3.559) 8.404 4.569 ( 2.106 19.677 2.901) 20.001 4.613 ( 2.343 17.634 -0.153) 17.790 4.668 ( 1.618 5.428 2.632) 6.246 4.768 ( -0.508 8.814 -5.256) 10.275 4.878 ( 2.324 2.249 2.884) 4.333 4.903 ( 0.484 0.926 -0.557) 1.184 4.977 ( -0.459 4.979 -3.398) 6.045 5.015 ( -1.603 4.542 -4.827) 6.819 5.404 ( 1.741 0.925 2.285) 3.018 5.439 ( 0.823 1.164 -0.308) 1.458 5.625 ( 3.498 9.891 4.416) 11.383 5.704 ( 1.040 8.551 -0.644) 8.638 5.742 ( 1.015 6.808 0.330) 6.891 5.772 ( 0.919 7.438 -1.090) 7.574 5.888 ( 2.218 2.461 4.290) 5.420 6.026 ( -2.124 1.685 -7.570) 8.040 6.765 ( -2.308 2.238 5.035) 5.974 6.844 ( -2.953 4.833 -0.942) 5.741 7.033 ( 1.419 1.195 2.417) 3.047 7.082 ( -0.104 -2.503 -1.870) 3.126 7.154 ( 2.043 2.656 -2.136) 3.974 7.181 ( 0.986 0.982 -4.414) 4.628 7.407 ( -2.045 10.814 3.738) 11.623 7.524 ( -4.362 7.027 -7.060) 10.874 7.799 ( 5.524 4.085 9.868) 12.024 7.917 ( 5.435 3.362 5.137) 8.200 7.970 ( -0.152 1.158 -5.011) 5.145 8.099 ( 3.681 6.953 -9.205) 12.109 8.304 ( -6.079 2.665 2.699) 7.165 8.345 ( -8.698 6.471 -0.063) 10.841 8.578 ( -5.798 4.090 4.302) 8.298 8.752 ( -4.550 4.438 -8.510) 10.622 9.054 ( 7.570 -1.947 4.476) 9.007 9.092 ( 8.890 7.153 2.856) 11.762 9.162 ( 2.773 9.496 1.129) 9.957 9.203 ( 1.178 13.287 -1.889) 13.472 9.342 ( -0.933 14.384 0.347) 14.419 9.369 ( -0.598 16.095 -1.708) 16.196 9.969 ( -0.999 0.745 2.386) 2.691 10.052 ( -2.397 1.265 -5.588) 6.211 10.395 ( 1.561 10.781 6.514) 12.693 10.510 ( 4.337 6.025 -4.044) 8.454 10.593 ( 4.580 2.763 0.027) 5.349 10.660 ( -1.186 -1.312 -6.138) 6.388 10.860 ( -5.452 3.117 6.260) 8.867 10.932 ( -7.668 4.351 5.968) 10.647 11.016 ( -3.744 1.573 -7.269) 8.327 11.117 ( -7.309 10.842 -6.233) 14.485 11.343 ( 1.763 6.644 -0.658) 6.905 11.381 ( 0.386 7.880 -3.012) 8.445 11.493 ( 0.482 4.034 -1.159) 4.225 11.498 ( 0.515 5.786 -1.712) 6.056 12.816 ( 4.390 -5.717 4.332) 8.410 12.871 ( 4.633 -4.625 -0.760) 6.590 13.018 ( 3.838 3.163 5.939) 7.746 13.108 ( 5.730 7.185 -1.944) 9.393 13.277 ( -4.773 -5.061 5.713) 9.002 13.383 ( -3.779 -5.851 -4.071) 8.067 13.756 ( 2.071 -5.104 12.646) 13.794 13.915 ( -4.476 -10.704 3.782) 12.203 13.993 ( 0.978 -8.322 -1.888) 8.589 14.063 ( -1.541 -3.725 -13.182) 13.784 14.443 ( 0.537 14.077 0.044) 14.087 14.541 ( -3.164 13.097 -9.631) 16.562 14.921 ( 1.319 -2.599 1.546) 3.299 14.965 ( 0.502 -2.479 -2.176) 3.337 15.808 ( 1.168 -3.674 10.699) 11.372 15.941 ( -5.736 -2.796 0.437) 6.396 16.270 ( 8.138 -5.906 -3.070) 10.514 16.355 ( 2.865 -5.147 -8.504) 10.345 17.208 ( -3.428 -5.138 0.263) 6.182 17.217 ( -3.641 -5.787 -0.784) 6.882 17.642 ( 3.560 -3.415 5.838) 7.643 17.727 ( -0.074 -2.958 -2.276) 3.733 18.193 ( 0.741 -3.044 3.511) 4.705 18.222 ( -0.354 -3.482 0.793) 3.588 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -7.664 13.019 12.435) 19.567 1.850 ( 7.664 13.019 12.435) 19.567 1.951 ( -8.371 8.014 15.821) 19.611 1.951 ( 8.371 8.014 15.821) 19.611 2.166 ( -2.913 5.198 -9.400) 11.130 2.166 ( 2.913 5.198 -9.400) 11.130 2.282 ( -1.358 1.332 -11.597) 11.752 2.282 ( 1.358 1.332 -11.597) 11.752 2.431 ( -0.553 1.917 0.701) 2.114 2.431 ( 0.553 1.917 0.701) 2.114 2.773 ( -1.780 -0.220 -0.989) 2.048 2.773 ( 1.780 -0.220 -0.989) 2.048 2.878 ( -5.187 1.256 3.930) 6.628 2.878 ( 5.187 1.256 3.930) 6.628 2.975 ( -4.327 1.295 -2.360) 5.095 2.975 ( 4.327 1.295 -2.360) 5.095 3.106 ( -2.387 6.119 -3.206) 7.309 3.106 ( 2.387 6.119 -3.206) 7.309 3.424 ( -1.215 0.109 -1.600) 2.012 3.424 ( 1.215 0.109 -1.600) 2.012 3.617 ( -6.761 -0.298 11.694) 13.511 3.617 ( 6.761 -0.298 11.694) 13.511 3.743 ( -8.344 -2.856 2.101) 9.066 3.743 ( 8.344 -2.856 2.101) 9.066 3.939 ( -1.155 -0.332 4.104) 4.277 3.939 ( 1.155 -0.332 4.104) 4.277 4.053 ( -2.511 2.948 -2.073) 4.392 4.053 ( 2.511 2.948 -2.073) 4.392 4.175 ( -1.537 4.782 0.649) 5.064 4.175 ( 1.537 4.782 0.649) 5.064 4.297 ( -5.574 -3.245 -6.441) 9.115 4.297 ( 5.574 -3.245 -6.441) 9.115 4.615 ( -1.805 19.388 4.281) 19.937 4.615 ( 1.805 19.388 4.281) 19.937 4.723 ( -3.305 9.830 -3.652) 10.995 4.723 ( 3.305 9.830 -3.652) 10.995 4.908 ( -0.396 2.206 1.104) 2.498 4.908 ( 0.396 2.206 1.104) 2.498 4.985 ( -1.117 4.008 -5.968) 7.275 4.985 ( 1.117 4.008 -5.968) 7.275 5.438 ( -0.982 0.805 1.273) 1.799 5.438 ( 0.982 0.805 1.273) 1.799 5.693 ( -2.444 8.750 3.727) 9.819 5.693 ( 2.444 8.750 3.727) 9.819 5.767 ( -1.180 6.310 0.905) 6.483 5.767 ( 1.180 6.310 0.905) 6.483 5.962 ( -4.037 2.573 -3.783) 6.102 5.962 ( 4.037 2.573 -3.783) 6.102 6.770 ( -2.770 2.455 0.453) 3.729 6.770 ( 2.770 2.455 0.453) 3.729 7.065 ( -1.305 -0.420 0.293) 1.402 7.065 ( 1.305 -0.420 0.293) 1.402 7.187 ( -0.758 3.003 -3.181) 4.440 7.187 ( 0.758 3.003 -3.181) 4.440 7.420 ( -3.734 8.936 -2.477) 9.997 7.420 ( 3.734 8.936 -2.477) 9.997 7.944 ( -4.934 0.723 7.184) 8.745 7.944 ( 4.934 0.723 7.184) 8.745 8.061 ( -6.106 0.153 -1.580) 6.309 8.061 ( 6.106 0.153 -1.580) 6.309 8.214 ( -2.354 11.214 4.941) 12.479 8.214 ( 2.354 11.214 4.941) 12.479 8.605 ( -7.712 4.819 -10.797) 14.116 8.605 ( 7.712 4.819 -10.797) 14.116 9.173 ( -2.766 -0.346 4.001) 4.876 9.173 ( 2.766 -0.346 4.001) 4.876 9.219 ( -1.431 13.707 0.814) 13.805 9.219 ( 1.431 13.707 0.814) 13.805 9.338 ( -1.620 17.676 1.027) 17.780 9.338 ( 1.620 17.676 1.027) 17.780 9.979 ( -3.093 1.744 -3.273) 4.829 9.979 ( 3.093 1.744 -3.273) 4.829 10.520 ( -7.703 2.025 4.247) 9.026 10.520 ( 7.703 2.025 4.247) 9.026 10.636 ( -2.039 4.090 0.824) 4.644 10.636 ( 2.039 4.090 0.824) 4.644 10.816 ( -7.606 6.637 -2.668) 10.442 10.816 ( 7.606 6.637 -2.668) 10.442 10.986 ( -2.896 5.317 -5.697) 8.313 10.986 ( 2.896 5.317 -5.697) 8.313 11.376 ( -0.955 8.583 -1.114) 8.708 11.376 ( 0.955 8.583 -1.114) 8.708 11.500 ( -0.215 3.757 -1.632) 4.102 11.500 ( 0.215 3.757 -1.632) 4.102 12.902 ( -2.511 -5.522 2.742) 6.656 12.902 ( 2.511 -5.522 2.742) 6.656 13.124 ( -5.424 1.230 7.187) 9.087 13.124 ( 5.424 1.230 7.187) 9.087 13.274 ( -5.812 -2.300 -5.176) 8.115 13.274 ( 5.812 -2.300 -5.176) 8.115 13.820 ( -4.166 -9.468 8.072) 13.120 13.820 ( 4.166 -9.468 8.072) 13.120 14.025 ( -1.973 -6.136 -6.356) 9.052 14.025 ( 1.973 -6.136 -6.356) 9.052 14.475 ( -2.696 14.017 -6.640) 15.743 14.475 ( 2.696 14.017 -6.640) 15.743 14.955 ( -1.449 -2.059 0.872) 2.665 14.955 ( 1.449 -2.059 0.872) 2.665 15.851 ( -3.173 -2.735 4.806) 6.376 15.851 ( 3.173 -2.735 4.806) 6.376 16.379 ( -1.780 -6.780 -5.431) 8.868 16.379 ( 1.780 -6.780 -5.431) 8.868 17.167 ( -0.260 -4.655 -0.445) 4.684 17.167 ( 0.260 -4.655 -0.445) 4.684 17.705 ( -2.206 -3.208 2.048) 4.399 17.705 ( 2.206 -3.208 2.048) 4.399 18.210 ( -0.797 -3.371 2.086) 4.043 18.210 ( 0.797 -3.371 2.086) 4.043 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 4.757 16.619) 17.286 1.986 ( 0.000 9.583 8.520) 12.823 2.210 ( 0.000 5.584 -2.318) 6.046 2.258 ( 0.000 5.131 -5.331) 7.399 2.308 ( 0.000 -0.235 5.394) 5.399 2.353 ( 0.000 -1.386 2.689) 3.026 2.430 ( 0.000 4.484 0.188) 4.488 2.513 ( 0.000 1.803 -4.713) 5.046 2.549 ( 0.000 1.557 0.457) 1.622 2.583 ( 0.000 1.364 -4.457) 4.661 2.693 ( 0.000 4.098 -0.835) 4.182 2.715 ( 0.000 7.304 -0.776) 7.345 2.824 ( 0.000 8.791 1.918) 8.997 2.905 ( 0.000 4.016 -3.660) 5.433 2.917 ( 0.000 3.478 6.454) 7.331 3.048 ( 0.000 -1.420 -5.446) 5.628 3.235 ( 0.000 4.561 4.379) 6.323 3.243 ( 0.000 6.479 10.713) 12.520 3.270 ( 0.000 6.815 1.600) 7.000 3.306 ( 0.000 8.598 -1.667) 8.758 3.369 ( 0.000 2.334 -2.307) 3.282 3.466 ( 0.000 -6.374 -3.914) 7.480 3.767 ( 0.000 -11.032 1.697) 11.162 3.787 ( 0.000 -9.885 -0.777) 9.915 3.918 ( 0.000 -3.089 -0.774) 3.185 3.923 ( 0.000 1.377 -1.532) 2.060 3.985 ( 0.000 -0.127 2.174) 2.178 4.081 ( 0.000 -0.904 -6.263) 6.328 4.302 ( 0.000 7.819 -0.348) 7.827 4.320 ( 0.000 -1.257 -2.128) 2.471 4.534 ( 0.000 -0.091 6.468) 6.468 4.554 ( 0.000 0.269 1.142) 1.173 4.597 ( 0.000 0.378 1.715) 1.757 4.705 ( 0.000 -0.667 -5.142) 5.185 4.896 ( 0.000 2.760 -0.998) 2.935 4.918 ( 0.000 1.841 -2.735) 3.296 5.010 ( 0.000 18.976 3.788) 19.351 5.039 ( 0.000 14.612 1.327) 14.672 5.226 ( 0.000 12.064 -0.056) 12.064 5.237 ( 0.000 12.785 -0.719) 12.805 5.490 ( 0.000 7.963 0.952) 8.019 5.493 ( 0.000 5.416 0.832) 5.479 5.807 ( 0.000 2.807 8.216) 8.683 5.929 ( 0.000 13.054 0.345) 13.059 5.941 ( 0.000 15.051 -2.471) 15.252 5.970 ( 0.000 19.822 5.596) 20.597 6.006 ( 0.000 1.283 -10.358) 10.437 6.056 ( 0.000 18.063 -2.424) 18.225 6.798 ( 0.000 -1.168 7.479) 7.570 6.977 ( 0.000 0.112 -8.475) 8.476 7.002 ( 0.000 -2.433 1.086) 2.665 7.071 ( 0.000 -1.040 -6.366) 6.450 7.207 ( 0.000 7.638 0.846) 7.684 7.230 ( 0.000 4.864 -1.198) 5.009 7.644 ( 0.000 4.233 1.646) 4.542 7.685 ( 0.000 9.636 -0.046) 9.637 7.884 ( 0.000 6.485 -0.941) 6.553 7.999 ( 0.000 -0.061 -8.430) 8.430 8.052 ( 0.000 15.942 10.833) 19.275 8.282 ( 0.000 14.515 -9.821) 17.525 8.414 ( 0.000 4.592 9.483) 10.536 8.627 ( 0.000 9.933 -10.040) 14.123 8.878 ( 0.000 3.253 6.360) 7.144 8.886 ( 0.000 5.320 1.920) 5.656 8.910 ( 0.000 -0.161 -0.006) 0.161 8.910 ( 0.000 3.645 1.158) 3.824 9.316 ( 0.000 11.373 5.858) 12.792 9.477 ( 0.000 8.998 -9.616) 13.169 9.724 ( 0.000 21.738 0.847) 21.755 9.742 ( 0.000 22.623 -1.121) 22.651 10.082 ( 0.000 11.946 7.709) 14.217 10.244 ( 0.000 13.645 -6.510) 15.118 10.538 ( 0.000 2.032 4.281) 4.739 10.612 ( 0.000 -1.871 0.044) 1.871 10.726 ( 0.000 14.268 2.749) 14.531 10.786 ( 0.000 18.580 0.368) 18.584 10.864 ( 0.000 3.378 -0.288) 3.390 11.100 ( 0.000 4.354 -16.370) 16.939 11.239 ( 0.000 7.591 9.812) 12.405 11.423 ( 0.000 12.317 -2.508) 12.570 11.465 ( 0.000 9.253 1.761) 9.419 11.586 ( 0.000 13.836 -5.293) 14.814 11.628 ( 0.000 11.425 2.540) 11.704 11.709 ( 0.000 15.328 -4.912) 16.096 12.702 ( 0.000 -2.229 1.433) 2.650 12.714 ( 0.000 -5.437 1.002) 5.528 13.077 ( 0.000 -4.561 5.384) 7.057 13.109 ( 0.000 6.444 5.145) 8.246 13.211 ( 0.000 -12.440 -2.805) 12.752 13.250 ( 0.000 -2.740 -2.437) 3.667 13.676 ( 0.000 -5.185 13.481) 14.444 13.771 ( 0.000 -11.420 -0.675) 11.440 13.803 ( 0.000 -4.633 -2.769) 5.397 14.026 ( 0.000 -2.834 -17.760) 17.985 14.701 ( 0.000 9.971 6.359) 11.826 14.805 ( 0.000 -5.585 -3.051) 6.364 14.863 ( 0.000 13.668 -3.979) 14.235 14.885 ( 0.000 -1.271 -4.027) 4.222 15.684 ( 0.000 -6.542 13.242) 14.770 15.933 ( 0.000 -9.240 -10.701) 14.138 16.044 ( 0.000 -2.511 5.752) 6.276 16.214 ( 0.000 -6.197 -9.675) 11.489 17.053 ( 0.000 -14.320 -0.033) 14.320 17.072 ( 0.000 -12.881 -1.919) 13.023 17.544 ( 0.000 -1.186 9.079) 9.156 17.675 ( 0.000 -1.686 -3.726) 4.090 18.104 ( 0.000 -5.292 3.625) 6.414 18.128 ( 0.000 -6.294 1.353) 6.438 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.876 5.671 16.925) 17.871 2.053 ( 4.311 6.763 4.327) 9.114 2.161 ( -5.201 6.682 3.411) 9.129 2.259 ( -0.046 4.424 -1.998) 4.854 2.279 ( -2.035 1.049 3.688) 4.341 2.311 ( -4.642 4.873 -0.174) 6.733 2.362 ( -7.376 1.565 -4.805) 8.941 2.382 ( -5.118 1.998 -2.741) 6.139 2.490 ( -1.684 5.157 1.009) 5.518 2.544 ( -1.783 4.337 -3.595) 5.909 2.738 ( 4.118 2.421 0.861) 4.854 2.796 ( 2.435 2.007 -4.698) 5.659 2.869 ( 2.239 6.699 1.989) 7.338 2.909 ( -0.722 4.335 -0.944) 4.494 3.005 ( 6.390 1.394 1.449) 6.698 3.065 ( 1.182 2.236 -3.258) 4.124 3.209 ( -0.607 8.213 3.810) 9.074 3.255 ( -0.086 4.725 -0.584) 4.761 3.290 ( 1.694 1.369 4.354) 4.868 3.381 ( 1.441 0.114 -3.285) 3.589 3.446 ( 12.755 4.595 9.401) 16.498 3.556 ( 5.947 -4.821 -0.725) 7.690 3.691 ( -3.942 -4.904 2.386) 6.729 3.784 ( -0.677 -6.125 -4.768) 7.791 3.914 ( -1.329 -0.926 -0.753) 1.786 3.918 ( -2.530 2.205 -1.261) 3.585 3.992 ( 2.679 -6.237 3.312) 7.553 4.079 ( 0.517 -5.042 -4.556) 6.815 4.214 ( -11.335 0.852 7.130) 13.418 4.285 ( -5.289 -1.638 -2.148) 5.939 4.390 ( -2.028 9.065 0.381) 9.297 4.449 ( -4.981 1.928 -2.418) 5.863 4.740 ( 6.684 1.657 2.427) 7.301 4.815 ( 5.267 1.722 -4.596) 7.199 4.900 ( -0.614 2.967 -1.286) 3.291 4.920 ( -0.258 2.212 -2.678) 3.483 5.007 ( 0.965 16.117 3.110) 16.443 5.037 ( -0.020 14.217 0.814) 14.240 5.217 ( -0.752 11.960 0.300) 11.987 5.230 ( -0.671 12.251 -0.889) 12.302 5.486 ( 1.114 6.756 2.921) 7.444 5.524 ( 1.057 7.065 -0.200) 7.147 5.830 ( 1.461 -0.811 5.844) 6.078 5.905 ( -2.414 6.538 -1.284) 7.087 5.931 ( 0.307 14.709 1.493) 14.788 5.964 ( 0.527 20.110 0.710) 20.129 6.061 ( 2.145 9.512 -3.740) 10.443 6.069 ( 2.076 19.055 -3.176) 19.429 6.774 ( -1.034 -0.070 5.580) 5.676 6.909 ( -4.911 0.818 -4.800) 6.916 7.024 ( 0.862 -2.610 -2.912) 4.004 7.061 ( -0.962 -1.090 -5.829) 6.007 7.234 ( 2.385 5.595 -0.005) 6.082 7.271 ( 2.274 5.505 -3.061) 6.696 7.605 ( -2.108 5.990 0.918) 6.416 7.653 ( -3.953 5.431 -3.437) 7.546 7.886 ( 2.615 4.472 6.359) 8.202 7.997 ( 1.845 3.694 -1.919) 4.554 8.079 ( -2.045 11.404 6.566) 13.317 8.254 ( -3.128 8.698 -7.939) 12.185 8.414 ( 0.029 9.768 7.468) 12.296 8.596 ( 3.132 12.247 -10.247) 16.273 8.701 ( -8.067 11.870 8.790) 16.830 8.855 ( -2.428 5.349 -5.203) 7.847 9.000 ( 4.789 -1.132 4.614) 6.746 9.091 ( 6.614 -0.225 -2.001) 6.913 9.423 ( 8.257 12.072 7.278) 16.336 9.550 ( 3.644 13.895 -4.667) 15.104 9.732 ( 1.560 23.645 0.938) 23.715 9.761 ( 3.698 22.215 -2.863) 22.702 10.072 ( -1.350 10.705 4.218) 11.585 10.194 ( -5.368 11.853 -5.940) 14.303 10.508 ( -1.646 2.921 4.097) 5.294 10.590 ( -1.416 -0.543 -4.928) 5.156 10.742 ( -0.780 11.488 1.600) 11.625 10.804 ( 3.188 18.640 2.427) 19.066 10.858 ( -0.003 0.726 0.052) 0.727 11.054 ( -2.331 2.686 -7.627) 8.415 11.156 ( -6.166 13.857 6.549) 16.520 11.348 ( -7.277 10.404 -8.451) 15.252 11.519 ( 4.430 12.086 4.124) 13.517 11.592 ( 0.524 7.583 -0.908) 7.655 11.650 ( 1.015 17.020 -2.265) 17.200 11.697 ( -1.125 15.892 -4.677) 16.604 12.709 ( 2.262 -5.458 4.591) 7.482 12.777 ( 3.818 -4.867 -1.806) 6.444 12.995 ( -3.483 -6.757 9.914) 12.493 13.126 ( -5.644 -11.055 1.662) 12.523 13.228 ( 6.030 4.773 -1.841) 7.908 13.297 ( 2.456 -1.910 -4.113) 5.157 13.634 ( -2.672 -7.549 9.906) 12.738 13.710 ( -4.781 -9.784 0.290) 10.893 13.840 ( 2.634 -5.829 -2.319) 6.804 13.983 ( -3.634 -3.991 -13.449) 14.491 14.692 ( -0.106 7.846 1.379) 7.967 14.764 ( -3.193 2.518 -5.831) 7.109 14.886 ( 3.025 4.195 1.682) 5.438 14.934 ( 1.829 3.563 -2.163) 4.552 15.711 ( 2.523 -5.663 10.026) 11.788 15.862 ( -4.412 -5.314 -2.956) 7.513 16.128 ( 5.273 -7.433 -1.141) 9.185 16.223 ( 0.459 -7.702 -8.165) 11.234 17.032 ( -1.462 -12.515 -0.242) 12.603 17.048 ( -1.873 -11.638 -1.898) 11.939 17.581 ( 3.066 -1.976 7.113) 7.994 17.672 ( -0.541 -2.099 -1.666) 2.734 18.107 ( 0.312 -5.576 3.260) 6.466 18.125 ( -0.328 -6.272 1.623) 6.487 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -8.127 4.746 12.008) 15.257 1.976 ( 8.127 4.746 12.008) 15.257 2.176 ( -5.695 5.508 0.049) 7.923 2.176 ( 5.695 5.508 0.049) 7.923 2.258 ( -1.071 6.439 -0.883) 6.587 2.258 ( 1.071 6.439 -0.883) 6.587 2.319 ( -2.244 2.609 -1.156) 3.630 2.319 ( 2.244 2.609 -1.156) 3.630 2.499 ( -1.972 4.241 -2.428) 5.270 2.499 ( 1.972 4.241 -2.428) 5.270 2.809 ( -1.844 3.103 -2.553) 4.421 2.809 ( 1.844 3.103 -2.553) 4.421 2.889 ( -0.709 -0.295 -0.402) 0.867 2.889 ( 0.709 -0.295 -0.402) 0.867 3.077 ( -0.739 8.296 -0.597) 8.351 3.077 ( 0.739 8.296 -0.597) 8.351 3.220 ( -2.203 4.801 1.707) 5.552 3.220 ( 2.203 4.801 1.707) 5.552 3.373 ( -3.150 -5.138 0.669) 6.064 3.373 ( 3.150 -5.138 0.669) 6.064 3.620 ( -2.128 -2.680 0.864) 3.530 3.620 ( 2.128 -2.680 0.864) 3.530 3.733 ( -9.769 2.519 5.064) 11.288 3.733 ( 9.769 2.519 5.064) 11.288 3.888 ( -2.156 0.338 0.334) 2.208 3.888 ( 2.156 0.338 0.334) 2.208 4.020 ( -2.712 -4.494 4.217) 6.733 4.020 ( 2.712 -4.494 4.217) 6.733 4.140 ( -5.770 -5.886 -2.630) 8.652 4.140 ( 5.770 -5.886 -2.630) 8.652 4.398 ( -1.382 9.084 -3.251) 9.747 4.398 ( 1.382 9.084 -3.251) 9.747 4.842 ( -3.617 3.313 0.323) 4.915 4.842 ( 3.617 3.313 0.323) 4.915 4.896 ( -2.027 3.676 -3.427) 5.419 4.896 ( 2.027 3.676 -3.427) 5.419 5.038 ( -0.718 13.153 1.221) 13.229 5.038 ( 0.718 13.153 1.221) 13.229 5.212 ( -0.640 11.135 -0.434) 11.162 5.212 ( 0.640 11.135 -0.434) 11.162 5.520 ( -1.458 7.115 2.199) 7.588 5.520 ( 1.458 7.115 2.199) 7.588 5.857 ( -1.768 -0.568 0.103) 1.859 5.857 ( 1.768 -0.568 0.103) 1.859 5.958 ( -1.225 19.483 2.332) 19.661 5.958 ( 1.225 19.483 2.332) 19.661 6.092 ( -0.815 15.261 -1.944) 15.406 6.092 ( 0.815 15.261 -1.944) 15.406 6.805 ( -4.224 1.112 -1.229) 4.538 6.805 ( 4.224 1.112 -1.229) 4.538 7.040 ( -0.868 -1.923 -4.272) 4.764 7.040 ( 0.868 -1.923 -4.272) 4.764 7.280 ( -1.436 4.684 -1.991) 5.288 7.280 ( 1.436 4.684 -1.991) 5.288 7.591 ( -1.329 5.359 -1.760) 5.795 7.591 ( 1.329 5.359 -1.760) 5.795 7.973 ( -4.992 3.243 6.530) 8.837 7.973 ( 4.992 3.243 6.530) 8.837 8.115 ( -7.580 5.927 -3.078) 10.103 8.115 ( 7.580 5.927 -3.078) 10.103 8.515 ( -9.068 16.622 10.534) 21.667 8.515 ( 9.068 16.622 10.534) 21.667 8.752 ( -8.044 11.432 -11.900) 18.358 8.752 ( 8.044 11.432 -11.900) 18.358 9.105 ( -4.315 -3.853 3.717) 6.876 9.105 ( 4.315 -3.853 3.717) 6.876 9.543 ( -3.143 17.312 1.726) 17.679 9.543 ( 3.143 17.312 1.726) 17.679 9.821 ( -3.407 25.713 1.456) 25.978 9.821 ( 3.407 25.713 1.456) 25.978 10.063 ( -4.269 6.835 -4.677) 9.317 10.063 ( 4.269 6.835 -4.677) 9.317 10.530 ( -3.509 2.217 -1.214) 4.325 10.530 ( 3.509 2.217 -1.214) 4.325 10.777 ( -3.612 6.560 -3.750) 8.375 10.777 ( 3.612 6.560 -3.750) 8.375 10.948 ( -7.262 8.887 9.877) 15.142 10.948 ( 7.262 8.887 9.877) 15.142 11.179 ( -7.742 13.199 -7.856) 17.201 11.179 ( 7.742 13.199 -7.856) 17.201 11.586 ( -1.697 8.321 1.203) 8.577 11.586 ( 1.697 8.321 1.203) 8.577 11.669 ( -1.278 17.983 -4.354) 18.547 11.669 ( 1.278 17.983 -4.354) 18.547 12.784 ( -3.726 -6.692 4.371) 8.819 12.784 ( 3.726 -6.692 4.371) 8.819 13.005 ( -5.029 -10.533 3.686) 12.240 13.005 ( 5.029 -10.533 3.686) 12.240 13.314 ( -1.711 2.826 -3.405) 4.745 13.314 ( 1.711 2.826 -3.405) 4.745 13.624 ( -2.444 -9.845 4.434) 11.071 13.624 ( 2.444 -9.845 4.434) 11.071 13.904 ( -3.643 -5.506 -6.343) 9.155 13.904 ( 3.643 -5.506 -6.343) 9.155 14.710 ( -1.838 5.737 -3.699) 7.069 14.710 ( 1.838 5.737 -3.699) 7.069 14.937 ( -1.447 3.925 1.252) 4.367 14.937 ( 1.447 3.925 1.252) 4.367 15.778 ( -3.789 -4.457 3.433) 6.783 15.778 ( 3.789 -4.457 3.433) 6.783 16.210 ( -2.252 -9.451 -4.942) 10.900 16.210 ( 2.252 -9.451 -4.942) 10.900 17.019 ( -0.509 -10.628 -1.237) 10.712 17.019 ( 0.509 -10.628 -1.237) 10.712 17.642 ( -2.412 -2.495 2.826) 4.475 17.642 ( 2.412 -2.495 2.826) 4.475 18.116 ( -0.502 -6.057 2.383) 6.528 18.116 ( 0.502 -6.057 2.383) 6.528 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 5.244 11.629) 12.756 2.116 ( 0.000 4.530 0.964) 4.631 2.273 ( 0.000 -1.956 5.053) 5.418 2.287 ( 0.000 2.603 0.590) 2.669 2.338 ( 0.000 0.531 3.078) 3.123 2.354 ( 0.000 3.704 -0.360) 3.721 2.521 ( 0.000 3.291 0.052) 3.291 2.533 ( 0.000 2.421 -1.627) 2.917 2.583 ( 0.000 3.030 1.663) 3.456 2.643 ( 0.000 2.202 -3.870) 4.453 2.786 ( 0.000 4.147 1.400) 4.377 2.808 ( 0.000 3.968 -1.013) 4.095 2.888 ( 0.000 -0.424 5.127) 5.145 2.962 ( 0.000 2.672 2.231) 3.481 2.993 ( 0.000 2.336 -1.813) 2.957 3.030 ( 0.000 0.784 -7.859) 7.898 3.216 ( 0.000 -7.996 3.216) 8.618 3.253 ( 0.000 -3.983 -1.067) 4.124 3.384 ( 0.000 3.076 4.060) 5.094 3.399 ( 0.000 0.769 0.608) 0.980 3.435 ( 0.000 3.002 0.171) 3.006 3.520 ( 0.000 -1.729 -5.352) 5.624 3.563 ( 0.000 -7.481 1.083) 7.559 3.606 ( 0.000 -2.463 -1.939) 3.135 3.885 ( 0.000 3.163 0.695) 3.238 3.893 ( 0.000 -3.591 0.088) 3.592 4.012 ( 0.000 1.518 2.808) 3.192 4.095 ( 0.000 2.489 -5.443) 5.985 4.351 ( 0.000 7.186 5.815) 9.244 4.476 ( 0.000 8.153 -2.519) 8.533 4.562 ( 0.000 2.358 1.564) 2.829 4.575 ( 0.000 2.962 -2.661) 3.982 4.602 ( 0.000 0.750 4.301) 4.366 4.689 ( 0.000 0.132 -2.994) 2.997 4.935 ( 0.000 1.713 -1.814) 2.495 4.945 ( 0.000 1.278 -2.643) 2.936 5.236 ( 0.000 6.513 1.825) 6.764 5.254 ( 0.000 7.606 0.675) 7.636 5.382 ( 0.000 4.215 2.395) 4.848 5.404 ( 0.000 4.417 0.264) 4.425 5.572 ( 0.000 1.913 1.962) 2.740 5.602 ( 0.000 2.317 -0.861) 2.472 5.696 ( 0.000 -8.605 6.084) 10.538 5.813 ( 0.000 -11.649 -4.834) 12.613 6.356 ( 0.000 22.385 4.391) 22.812 6.437 ( 0.000 24.547 3.108) 24.743 6.438 ( 0.000 26.554 -5.142) 27.047 6.502 ( 0.000 21.310 -2.517) 21.458 6.790 ( 0.000 0.761 8.674) 8.707 6.960 ( 0.000 -1.687 0.943) 1.932 6.968 ( 0.000 -0.285 -6.832) 6.838 7.025 ( 0.000 -2.343 -5.790) 6.246 7.277 ( 0.000 0.080 -2.863) 2.864 7.283 ( 0.000 -0.138 -4.566) 4.568 7.676 ( 0.000 -2.138 4.785) 5.241 7.740 ( 0.000 -3.656 -1.006) 3.792 8.033 ( 0.000 4.592 -3.989) 6.082 8.066 ( 0.000 11.502 -6.952) 13.440 8.305 ( 0.000 4.893 7.213) 8.716 8.498 ( 0.000 5.715 -7.073) 9.093 8.550 ( 0.000 6.948 7.415) 10.161 8.690 ( 0.000 -3.838 -7.925) 8.806 8.915 ( 0.000 4.455 -1.192) 4.612 8.918 ( 0.000 6.180 -2.284) 6.589 9.024 ( 0.000 10.175 10.145) 14.369 9.162 ( 0.000 11.432 -1.565) 11.539 9.527 ( 0.000 9.921 5.691) 11.437 9.625 ( 0.000 8.625 -4.728) 9.836 10.127 ( 0.000 10.241 7.453) 12.666 10.132 ( 0.000 16.277 3.834) 16.722 10.300 ( 0.000 10.074 -0.304) 10.078 10.472 ( 0.000 1.661 -10.610) 10.739 10.621 ( 0.000 12.268 11.158) 16.583 10.692 ( 0.000 15.287 6.166) 16.483 10.960 ( 0.000 7.576 -5.109) 9.138 10.988 ( 0.000 7.244 -7.271) 10.263 11.132 ( 0.000 14.258 6.100) 15.508 11.270 ( 0.000 12.425 -8.267) 14.924 11.419 ( 0.000 10.851 0.107) 10.851 11.516 ( 0.000 2.007 -8.097) 8.342 11.764 ( 0.000 16.067 7.688) 17.811 11.858 ( 0.000 13.706 -2.502) 13.932 12.001 ( 0.000 25.598 3.300) 25.810 12.109 ( 0.000 24.615 -5.795) 25.288 12.607 ( 0.000 -5.112 2.186) 5.560 12.655 ( 0.000 -3.323 -2.983) 4.466 12.896 ( 0.000 -11.669 2.540) 11.943 12.912 ( 0.000 -15.775 2.421) 15.960 13.158 ( 0.000 -7.692 3.826) 8.591 13.218 ( 0.000 0.640 -2.417) 2.500 13.511 ( 0.000 -9.987 9.699) 13.922 13.549 ( 0.000 -10.174 1.761) 10.325 13.851 ( 0.000 7.925 -5.318) 9.544 13.994 ( 0.000 0.930 -15.666) 15.693 14.625 ( 0.000 -11.621 -2.049) 11.800 14.648 ( 0.000 -10.311 -3.530) 10.899 15.063 ( 0.000 13.736 5.652) 14.853 15.158 ( 0.000 14.739 -3.901) 15.247 15.569 ( 0.000 -4.442 9.809) 10.768 15.733 ( 0.000 -10.579 -6.207) 12.266 16.010 ( 0.000 -1.144 -0.496) 1.247 16.086 ( 0.000 -6.622 -6.650) 9.385 16.741 ( 0.000 -15.952 0.727) 15.969 16.786 ( 0.000 -14.862 -3.788) 15.337 17.558 ( 0.000 2.666 8.531) 8.938 17.668 ( 0.000 1.163 -2.272) 2.553 17.981 ( 0.000 -7.003 2.759) 7.527 17.982 ( 0.000 -8.464 2.786) 8.911 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 1.048 5.847 11.087) 12.578 2.127 ( 0.065 2.660 -0.845) 2.792 2.212 ( -3.396 -1.091 2.292) 4.240 2.276 ( -2.839 -1.358 -2.381) 3.946 2.343 ( 1.817 5.644 5.852) 8.330 2.397 ( 1.860 3.887 -0.562) 4.346 2.428 ( -5.451 3.942 1.090) 6.815 2.445 ( -5.208 5.046 -0.511) 7.269 2.598 ( -0.818 4.114 1.583) 4.484 2.627 ( -1.367 5.379 -0.771) 5.604 2.790 ( 2.550 2.217 0.514) 3.418 2.833 ( 1.346 2.167 -2.096) 3.302 2.884 ( -0.941 -2.777 1.810) 3.445 2.942 ( -3.431 -0.483 -3.800) 5.143 3.030 ( 5.980 -0.022 4.831) 7.687 3.128 ( 4.561 -0.389 -4.000) 6.079 3.239 ( 2.282 -4.598 2.925) 5.908 3.281 ( 0.864 -0.630 -0.474) 1.170 3.325 ( -2.768 -0.160 3.101) 4.160 3.376 ( -2.726 2.853 -1.979) 4.414 3.479 ( 4.392 -1.852 0.801) 4.834 3.518 ( 0.784 -3.030 -2.556) 4.041 3.641 ( 4.767 -6.009 -0.968) 7.731 3.655 ( 3.810 -2.094 -1.326) 4.545 3.877 ( -0.247 -3.714 2.775) 4.643 3.913 ( 0.710 1.212 -0.641) 1.544 3.982 ( -1.480 -0.716 1.515) 2.236 4.025 ( -4.533 3.165 -2.754) 6.176 4.285 ( -6.677 5.700 4.163) 9.716 4.324 ( -9.568 11.276 2.861) 15.063 4.529 ( 1.596 6.039 1.390) 6.399 4.589 ( 0.416 9.892 -4.860) 11.029 4.745 ( 7.724 -0.557 1.943) 7.984 4.804 ( 7.080 -1.680 -3.294) 7.987 4.940 ( -0.162 1.712 -2.212) 2.802 4.948 ( -0.229 1.014 -2.793) 2.980 5.226 ( -0.128 6.243 2.892) 6.882 5.257 ( 0.589 7.545 0.188) 7.570 5.347 ( -3.098 2.693 2.471) 4.791 5.371 ( -2.902 3.883 0.017) 4.848 5.575 ( 0.881 1.758 3.110) 3.679 5.620 ( 0.686 1.699 -0.235) 1.847 5.706 ( 1.092 -8.382 3.441) 9.126 5.794 ( -1.831 -10.059 -4.054) 10.999 6.388 ( 2.722 22.738 4.166) 23.276 6.433 ( 0.552 22.223 2.786) 22.404 6.468 ( 1.694 26.724 -2.624) 26.906 6.512 ( 0.592 22.459 -2.547) 22.611 6.779 ( -0.181 0.935 6.836) 6.903 6.913 ( -3.735 0.117 -2.354) 4.417 6.984 ( 0.997 -1.105 -4.266) 4.518 7.026 ( -0.323 -1.514 -6.535) 6.716 7.288 ( 1.366 0.139 -1.844) 2.300 7.320 ( 2.251 -0.914 -5.179) 5.721 7.614 ( -4.419 -3.714 1.794) 6.045 7.675 ( -5.550 -4.062 -3.903) 7.908 8.005 ( 1.507 8.093 3.965) 9.137 8.107 ( 1.321 7.203 -3.837) 8.268 8.283 ( -6.759 6.211 4.778) 10.348 8.391 ( -6.495 4.325 -5.746) 9.690 8.605 ( 6.531 5.496 5.096) 9.941 8.678 ( 3.944 0.251 -2.367) 4.606 8.938 ( 0.703 4.196 1.470) 4.501 8.956 ( 3.068 5.140 -1.019) 6.072 9.137 ( 4.242 16.865 3.745) 17.789 9.220 ( 1.837 13.893 -1.588) 14.104 9.618 ( 9.478 7.890 5.654) 13.567 9.716 ( 8.334 5.301 -5.278) 11.199 10.094 ( 1.470 9.182 4.366) 10.273 10.149 ( -1.148 14.065 1.769) 14.222 10.301 ( -2.253 8.799 -0.335) 9.089 10.436 ( -7.509 9.457 -9.090) 15.114 10.598 ( 2.467 7.589 6.808) 10.490 10.669 ( -0.819 14.329 1.444) 14.424 10.897 ( -2.371 3.107 0.413) 3.930 11.014 ( -3.031 8.646 -6.505) 11.237 11.139 ( 1.259 13.600 6.259) 15.024 11.215 ( -3.211 17.139 -3.171) 17.723 11.409 ( -0.144 11.660 -0.769) 11.686 11.507 ( -1.293 5.852 -8.518) 10.415 11.784 ( 1.583 15.089 3.965) 15.682 11.811 ( -1.704 15.511 0.824) 15.626 12.055 ( 2.623 23.582 0.399) 23.731 12.122 ( 0.211 25.100 -4.737) 25.544 12.594 ( 0.111 -6.211 4.466) 7.651 12.684 ( 1.534 -4.738 -3.827) 6.281 12.802 ( -5.978 -11.345 6.255) 14.268 12.873 ( -3.657 -13.365 0.116) 13.857 13.186 ( 2.314 -9.686 4.373) 10.876 13.260 ( 1.982 -4.703 -2.788) 5.816 13.447 ( -3.889 -10.973 6.329) 13.251 13.512 ( -3.720 -10.654 -0.448) 11.294 13.856 ( 0.807 7.316 -4.310) 8.529 13.955 ( -3.254 2.909 -11.835) 12.614 14.625 ( 0.183 -10.511 -2.480) 10.801 14.645 ( -0.383 -10.241 -3.952) 10.984 15.097 ( 2.808 13.559 5.291) 14.823 15.167 ( 0.264 14.193 -1.346) 14.259 15.610 ( 3.501 -4.168 6.081) 8.161 15.724 ( -1.030 -8.642 -4.748) 9.914 16.028 ( 1.571 -2.098 -0.952) 2.789 16.083 ( -0.415 -5.465 -5.464) 7.739 16.742 ( 0.212 -16.102 -0.199) 16.105 16.775 ( -0.948 -15.241 -3.502) 15.667 17.581 ( 2.055 2.099 7.059) 7.646 17.660 ( -0.923 1.059 -0.597) 1.527 17.979 ( -0.126 -7.548 2.860) 8.072 17.981 ( -0.122 -7.930 2.663) 8.366 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -5.114 4.112 5.705) 8.695 2.066 ( 5.114 4.112 5.705) 8.695 2.202 ( -2.566 -0.707 -2.969) 3.987 2.202 ( 2.566 -0.707 -2.969) 3.987 2.366 ( -1.531 5.589 3.877) 6.972 2.366 ( 1.531 5.589 3.877) 6.972 2.411 ( -1.265 5.128 1.128) 5.401 2.411 ( 1.265 5.128 1.128) 5.401 2.593 ( -1.103 5.234 0.724) 5.398 2.593 ( 1.103 5.234 0.724) 5.398 2.850 ( -0.998 0.023 -3.785) 3.914 2.850 ( 0.998 0.023 -3.785) 3.914 2.874 ( -1.829 -0.470 -0.396) 1.930 2.874 ( 1.829 -0.470 -0.396) 1.930 3.138 ( -3.438 -5.103 3.330) 6.997 3.138 ( 3.438 -5.103 3.330) 6.997 3.270 ( -1.557 0.127 2.527) 2.971 3.270 ( 1.557 0.127 2.527) 2.971 3.329 ( -1.602 3.161 -2.077) 4.107 3.329 ( 1.602 3.161 -2.077) 4.107 3.540 ( -0.376 -4.299 -1.233) 4.488 3.540 ( 0.376 -4.299 -1.233) 4.488 3.697 ( -0.999 -5.288 -1.996) 5.740 3.697 ( 0.999 -5.288 -1.996) 5.740 3.890 ( -1.502 -3.647 1.851) 4.357 3.890 ( 1.502 -3.647 1.851) 4.357 3.989 ( -0.468 -2.284 0.218) 2.342 3.989 ( 0.468 -2.284 0.218) 2.342 4.188 ( -0.931 16.380 4.439) 16.997 4.188 ( 0.931 16.380 4.439) 16.997 4.575 ( -1.836 8.676 -1.929) 9.076 4.575 ( 1.836 8.676 -1.929) 9.076 4.875 ( -3.773 0.902 -1.029) 4.014 4.875 ( 3.773 0.902 -1.029) 4.014 4.924 ( -1.846 0.373 -3.228) 3.738 4.924 ( 1.846 0.373 -3.228) 3.738 5.259 ( -2.665 6.448 2.662) 7.467 5.259 ( 2.665 6.448 2.662) 7.467 5.308 ( -2.160 2.117 0.255) 3.035 5.308 ( 2.160 2.117 0.255) 3.035 5.606 ( -1.681 1.039 3.015) 3.605 5.606 ( 1.681 1.039 3.015) 3.605 5.746 ( -2.525 -8.069 -1.992) 8.687 5.746 ( 2.525 -8.069 -1.992) 8.687 6.436 ( -1.181 22.616 4.549) 23.099 6.436 ( 1.181 22.616 4.549) 23.099 6.502 ( -1.598 23.980 -1.599) 24.086 6.502 ( 1.598 23.980 -1.599) 24.086 6.823 ( -4.307 1.154 -0.104) 4.460 6.823 ( 4.307 1.154 -0.104) 4.460 7.007 ( -1.248 -0.797 -5.817) 6.002 7.007 ( 1.248 -0.797 -5.817) 6.002 7.326 ( -1.762 -0.079 -2.603) 3.144 7.326 ( 1.762 -0.079 -2.603) 3.144 7.582 ( -2.394 -5.216 -2.795) 6.383 7.582 ( 2.394 -5.216 -2.795) 6.383 8.078 ( -4.850 6.573 4.811) 9.480 8.078 ( 4.850 6.573 4.811) 9.480 8.242 ( -5.623 4.974 -2.671) 7.968 8.242 ( 5.623 4.974 -2.671) 7.968 8.743 ( -3.905 7.243 3.132) 8.805 8.743 ( 3.905 7.243 3.132) 8.805 8.962 ( -3.062 0.179 1.740) 3.526 8.962 ( 3.062 0.179 1.740) 3.526 9.186 ( -2.732 19.146 -1.262) 19.381 9.186 ( 2.732 19.146 -1.262) 19.381 9.812 ( -3.821 7.991 2.451) 9.191 9.812 ( 3.821 7.991 2.451) 9.191 10.170 ( -4.731 7.686 -0.809) 9.062 10.170 ( 4.731 7.686 -0.809) 9.062 10.225 ( -7.551 9.550 -5.168) 13.226 10.225 ( 7.551 9.550 -5.168) 13.226 10.677 ( -1.170 11.579 1.052) 11.685 10.677 ( 1.170 11.579 1.052) 11.685 10.895 ( -4.411 5.668 -1.308) 7.300 10.895 ( 4.411 5.668 -1.308) 7.300 11.175 ( -1.905 14.558 4.801) 15.447 11.175 ( 1.905 14.558 4.801) 15.447 11.449 ( -3.703 12.178 -6.346) 14.223 11.449 ( 3.703 12.178 -6.346) 14.223 11.806 ( -0.138 16.294 2.237) 16.448 11.806 ( 0.138 16.294 2.237) 16.448 12.095 ( -2.047 22.498 -2.992) 22.788 12.095 ( 2.047 22.498 -2.992) 22.788 12.639 ( -4.099 -7.707 6.173) 10.691 12.639 ( 4.099 -7.707 6.173) 10.691 12.791 ( -3.623 -9.971 -1.467) 10.709 12.791 ( 3.623 -9.971 -1.467) 10.709 13.241 ( -2.893 -11.106 3.386) 11.966 13.241 ( 2.893 -11.106 3.386) 11.966 13.436 ( -2.682 -10.607 -1.484) 11.040 13.436 ( 2.682 -10.607 -1.484) 11.040 13.890 ( -2.580 5.880 -6.231) 8.947 13.890 ( 2.580 5.880 -6.231) 8.947 14.634 ( -0.585 -9.902 -3.516) 10.524 14.634 ( 0.585 -9.902 -3.516) 10.524 15.151 ( -1.933 13.512 2.991) 13.973 15.151 ( 1.933 13.512 2.991) 13.973 15.683 ( -3.061 -5.304 -0.441) 6.140 15.683 ( 3.061 -5.304 -0.441) 6.140 16.063 ( -1.546 -3.624 -2.781) 4.823 16.063 ( 1.546 -3.624 -2.781) 4.823 16.754 ( -0.941 -15.963 -2.198) 16.141 16.754 ( 0.941 -15.963 -2.198) 16.141 17.628 ( -2.141 1.253 3.346) 4.165 17.628 ( 2.141 1.253 3.346) 4.165 17.978 ( -0.092 -7.743 2.737) 8.213 17.978 ( 0.092 -7.743 2.737) 8.213 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 4.378 6.686) 7.992 2.156 ( 0.000 -1.120 1.412) 1.802 2.255 ( 0.000 0.940 2.790) 2.944 2.288 ( 0.000 -1.513 -0.222) 1.529 2.391 ( 0.000 2.908 1.739) 3.389 2.405 ( 0.000 1.345 0.051) 1.346 2.559 ( 0.000 1.913 3.293) 3.809 2.593 ( 0.000 0.853 -0.632) 1.062 2.651 ( 0.000 0.579 2.694) 2.755 2.653 ( 0.000 2.287 0.928) 2.468 2.828 ( 0.000 1.056 5.053) 5.162 2.854 ( 0.000 -0.036 2.544) 2.544 2.923 ( 0.000 3.780 4.338) 5.754 3.003 ( 0.000 -0.867 1.174) 1.459 3.025 ( 0.000 -0.631 -1.180) 1.338 3.050 ( 0.000 2.000 -3.806) 4.299 3.101 ( 0.000 0.564 -0.657) 0.866 3.154 ( 0.000 -4.797 -2.616) 5.463 3.315 ( 0.000 -4.568 -1.370) 4.769 3.350 ( 0.000 -7.792 -3.947) 8.735 3.403 ( 0.000 0.887 0.552) 1.044 3.454 ( 0.000 -2.655 -3.422) 4.332 3.532 ( 0.000 1.989 0.044) 1.990 3.580 ( 0.000 -2.456 -3.898) 4.607 3.870 ( 0.000 1.451 3.960) 4.217 3.911 ( 0.000 -1.783 1.201) 2.149 4.086 ( 0.000 4.007 -2.391) 4.666 4.125 ( 0.000 -0.067 -5.162) 5.162 4.549 ( 0.000 1.482 2.122) 2.588 4.563 ( 0.000 2.538 0.818) 2.667 4.604 ( 0.000 9.701 6.946) 11.931 4.653 ( 0.000 3.835 1.877) 4.270 4.658 ( 0.000 1.546 1.496) 2.152 4.734 ( 0.000 2.397 -4.947) 5.497 4.963 ( 0.000 1.031 -2.505) 2.709 4.966 ( 0.000 0.710 -2.598) 2.693 5.325 ( 0.000 2.682 2.862) 3.922 5.354 ( 0.000 2.437 0.505) 2.489 5.399 ( 0.000 -1.809 1.213) 2.178 5.406 ( 0.000 -4.284 0.438) 4.307 5.561 ( 0.000 -0.470 2.442) 2.487 5.596 ( 0.000 -0.669 1.057) 1.251 5.601 ( 0.000 -1.797 -0.850) 1.988 5.618 ( 0.000 -5.576 -1.384) 5.745 6.665 ( 0.000 8.575 6.656) 10.855 6.729 ( 0.000 1.329 2.656) 2.970 6.820 ( 0.000 10.682 0.745) 10.708 6.856 ( 0.000 10.727 -5.140) 11.894 6.879 ( 0.000 7.433 4.415) 8.645 6.966 ( 0.000 3.949 0.430) 3.972 6.978 ( 0.000 1.336 -4.412) 4.610 7.002 ( 0.000 -0.477 -2.964) 3.002 7.259 ( 0.000 -0.343 -5.838) 5.849 7.265 ( 0.000 -0.124 -5.749) 5.750 7.579 ( 0.000 -5.410 2.416) 5.925 7.608 ( 0.000 -7.713 -0.706) 7.745 8.159 ( 0.000 7.036 2.037) 7.325 8.255 ( 0.000 1.416 2.628) 2.985 8.332 ( 0.000 5.506 -7.582) 9.370 8.492 ( 0.000 -6.153 -13.277) 14.633 8.595 ( 0.000 -0.286 2.919) 2.933 8.606 ( 0.000 -2.407 1.974) 3.113 9.033 ( 0.000 4.302 0.145) 4.304 9.033 ( 0.000 3.944 0.055) 3.944 9.225 ( 0.000 7.991 4.342) 9.094 9.291 ( 0.000 1.527 -1.241) 1.968 9.696 ( 0.000 6.761 3.655) 7.685 9.754 ( 0.000 2.032 -2.421) 3.161 10.226 ( 0.000 3.676 11.199) 11.787 10.283 ( 0.000 -0.175 5.847) 5.849 10.427 ( 0.000 3.039 0.318) 3.055 10.450 ( 0.000 -0.338 0.108) 0.355 10.925 ( 0.000 12.149 2.702) 12.446 10.985 ( 0.000 7.380 2.268) 7.721 11.057 ( 0.000 3.303 -4.737) 5.775 11.075 ( 0.000 1.343 -0.741) 1.534 11.379 ( 0.000 10.390 0.321) 10.395 11.457 ( 0.000 3.410 -0.786) 3.499 11.581 ( 0.000 5.784 -12.407) 13.689 11.601 ( 0.000 5.737 -9.841) 11.391 12.034 ( 0.000 9.829 6.524) 11.798 12.077 ( 0.000 6.308 2.573) 6.812 12.478 ( 0.000 11.995 2.355) 12.224 12.530 ( 0.000 7.289 -2.071) 7.577 12.542 ( 0.000 -0.677 1.533) 1.675 12.545 ( 0.000 -6.238 0.595) 6.267 12.670 ( 0.000 1.053 4.336) 4.462 12.757 ( 0.000 5.945 -4.322) 7.350 12.983 ( 0.000 -9.348 3.233) 9.892 13.088 ( 0.000 -12.191 -6.316) 13.730 13.333 ( 0.000 -5.477 8.376) 10.008 13.380 ( 0.000 -7.815 3.480) 8.555 14.066 ( 0.000 13.211 -4.828) 14.065 14.113 ( 0.000 10.987 -9.348) 14.426 14.361 ( 0.000 -14.460 -3.615) 14.905 14.395 ( 0.000 -14.456 -6.667) 15.920 15.317 ( 0.000 11.609 5.953) 13.046 15.407 ( 0.000 9.109 -2.865) 9.549 15.516 ( 0.000 -1.792 2.207) 2.843 15.533 ( 0.000 -9.432 0.331) 9.437 15.974 ( 0.000 -3.678 -2.355) 4.367 15.976 ( 0.000 -2.541 -3.073) 3.987 16.509 ( 0.000 -5.480 -0.836) 5.544 16.546 ( 0.000 -8.229 -4.432) 9.347 17.649 ( 0.000 6.582 6.839) 9.491 17.723 ( 0.000 4.384 -0.390) 4.401 17.808 ( 0.000 -8.767 4.653) 9.925 17.841 ( 0.000 -6.910 1.398) 7.050 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.580 4.028 5.398) 6.760 2.151 ( -0.105 -1.265 0.924) 1.570 2.203 ( -3.555 1.333 0.764) 3.873 2.241 ( -3.488 -2.026 -1.675) 4.367 2.436 ( 3.130 3.366 2.809) 5.387 2.457 ( 2.972 1.352 0.708) 3.341 2.513 ( -2.133 4.648 3.434) 6.160 2.542 ( -3.502 3.096 0.478) 4.698 2.656 ( 0.074 1.907 2.678) 3.288 2.691 ( 2.108 -0.728 0.311) 2.251 2.816 ( -5.397 0.818 4.598) 7.137 2.848 ( 0.314 -0.332 1.933) 1.986 2.875 ( 0.536 2.967 3.187) 4.388 2.929 ( -4.859 -1.182 -1.429) 5.201 3.001 ( 0.056 -2.544 1.058) 2.756 3.024 ( -0.477 -4.573 -1.281) 4.773 3.224 ( 5.203 0.995 -0.169) 5.300 3.247 ( 5.003 -1.834 0.432) 5.346 3.321 ( 2.161 0.282 -2.548) 3.352 3.353 ( 0.197 -3.249 -3.938) 5.109 3.445 ( 2.468 -1.189 -0.682) 2.823 3.480 ( 2.103 -1.838 -3.669) 4.612 3.536 ( 0.718 -1.530 0.346) 1.725 3.582 ( 0.175 -4.040 -3.444) 5.312 3.857 ( -0.713 1.452 3.868) 4.193 3.900 ( -0.578 -2.331 0.826) 2.540 3.998 ( -6.665 2.182 -0.678) 7.046 4.039 ( -6.505 -1.674 -3.575) 7.610 4.533 ( -0.002 13.343 3.783) 13.869 4.573 ( -0.919 11.137 0.549) 11.189 4.645 ( 2.820 3.945 4.412) 6.556 4.712 ( 2.690 -1.052 0.170) 2.893 4.737 ( 5.098 0.479 -0.924) 5.203 4.770 ( 6.686 0.008 -2.050) 6.993 4.956 ( -1.250 0.244 -2.337) 2.661 4.964 ( -0.612 0.182 -3.100) 3.165 5.306 ( -1.557 2.315 2.641) 3.841 5.328 ( -2.527 1.059 0.984) 2.911 5.354 ( -2.389 -2.044 1.815) 3.631 5.375 ( -2.631 -3.577 0.024) 4.440 5.575 ( 1.068 -0.187 2.242) 2.491 5.596 ( 0.184 -0.640 1.261) 1.426 5.616 ( 0.862 -1.653 -0.870) 2.057 5.628 ( 0.515 -5.048 -1.479) 5.286 6.681 ( 1.702 7.502 4.983) 9.165 6.734 ( 0.882 1.950 0.811) 2.289 6.790 ( -1.935 8.470 3.475) 9.357 6.842 ( -1.910 3.757 -0.160) 4.218 6.921 ( 3.037 13.437 0.300) 13.779 6.970 ( 0.430 7.753 -0.440) 7.778 6.997 ( 1.728 2.591 -3.581) 4.746 7.032 ( 1.798 1.322 -4.343) 4.883 7.269 ( 1.022 -0.854 -4.611) 4.800 7.277 ( 1.534 -1.423 -5.625) 6.002 7.501 ( -6.034 -5.898 0.683) 8.465 7.535 ( -6.107 -8.368 -2.569) 10.673 8.163 ( 0.652 7.019 3.735) 7.977 8.234 ( -1.117 2.548 0.259) 2.794 8.331 ( -5.490 2.133 -0.985) 5.972 8.409 ( -7.292 -2.641 -6.126) 9.883 8.628 ( 9.001 0.270 1.073) 9.069 8.658 ( 8.585 -2.071 -2.136) 9.086 9.018 ( -2.714 2.769 2.475) 4.600 9.024 ( -1.625 2.040 1.881) 3.216 9.429 ( 13.368 10.436 1.216) 17.003 9.473 ( 11.271 7.260 -1.963) 13.549 9.720 ( 3.744 3.144 3.442) 5.979 9.768 ( 2.064 -0.484 -1.752) 2.750 10.206 ( 0.509 4.419 6.074) 7.529 10.267 ( -1.273 -0.385 4.509) 4.701 10.400 ( -3.052 4.000 -3.686) 6.237 10.470 ( -1.471 -2.163 -6.321) 6.841 10.851 ( -4.069 11.035 8.779) 14.677 10.937 ( -3.635 2.945 4.261) 6.328 10.972 ( -4.054 7.287 -1.185) 8.423 11.051 ( -4.029 -1.332 -1.201) 4.410 11.445 ( 3.594 12.252 -1.263) 12.831 11.479 ( 1.687 8.138 -1.014) 8.372 11.595 ( 1.027 4.908 -9.928) 11.123 11.601 ( 0.164 4.531 -8.021) 9.214 12.079 ( 4.768 12.008 4.907) 13.820 12.101 ( 3.142 10.020 2.637) 10.827 12.454 ( -4.525 6.879 1.527) 8.374 12.472 ( -4.402 -1.452 0.622) 4.677 12.524 ( -0.172 1.887 3.062) 3.601 12.588 ( 3.363 -5.795 -2.888) 7.296 12.659 ( -3.493 7.894 5.596) 10.288 12.752 ( 0.163 11.560 -4.076) 12.258 12.961 ( -0.788 -13.187 4.105) 13.834 13.054 ( -3.034 -13.121 -3.714) 13.970 13.230 ( -6.735 -8.286 4.913) 11.754 13.292 ( -7.001 -11.346 -0.002) 13.332 14.073 ( 0.938 13.884 -4.156) 14.523 14.118 ( -0.280 12.366 -8.128) 14.801 14.369 ( 0.721 -14.753 -3.649) 15.214 14.395 ( -0.167 -14.338 -6.068) 15.570 15.345 ( 2.195 11.108 5.418) 12.552 15.407 ( -0.338 9.430 -0.171) 9.437 15.539 ( 1.612 -4.654 0.296) 4.934 15.544 ( 0.890 -8.699 0.066) 8.745 16.025 ( 5.474 2.215 -1.082) 6.003 16.058 ( 5.962 1.080 -4.463) 7.525 16.465 ( -3.801 -9.080 -0.970) 9.891 16.500 ( -4.178 -10.937 -4.402) 12.508 17.663 ( 1.243 6.141 5.857) 8.577 17.716 ( -0.751 4.621 0.706) 4.735 17.812 ( 0.414 -8.456 4.240) 9.468 17.835 ( -0.479 -7.080 1.910) 7.349 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -2.798 2.668 1.308) 4.082 2.132 ( 2.798 2.668 1.308) 4.082 2.175 ( -2.285 -1.817 -0.623) 2.985 2.175 ( 2.285 -1.817 -0.623) 2.985 2.484 ( -0.766 4.787 3.740) 6.123 2.484 ( 0.766 4.787 3.740) 6.123 2.495 ( -0.286 3.050 1.671) 3.490 2.495 ( 0.286 3.050 1.671) 3.490 2.681 ( -2.659 3.854 1.847) 5.033 2.681 ( 2.659 3.854 1.847) 5.033 2.787 ( -3.362 -6.000 0.644) 6.908 2.787 ( 3.362 -6.000 0.644) 6.908 2.900 ( -0.938 3.710 0.589) 3.872 2.900 ( 0.938 3.710 0.589) 3.872 3.006 ( -0.734 -6.395 1.189) 6.546 3.006 ( 0.734 -6.395 1.189) 6.546 3.291 ( -1.273 2.535 1.590) 3.252 3.291 ( 1.273 2.535 1.590) 3.252 3.353 ( -1.349 -2.106 -2.742) 3.711 3.353 ( 1.349 -2.106 -2.742) 3.711 3.493 ( -1.469 0.869 -2.257) 2.830 3.493 ( 1.469 0.869 -2.257) 2.830 3.569 ( -1.737 -6.241 -2.703) 7.019 3.569 ( 1.737 -6.241 -2.703) 7.019 3.877 ( -3.320 1.667 1.249) 3.919 3.877 ( 3.320 1.667 1.249) 3.919 3.927 ( -3.278 -3.074 0.263) 4.502 3.927 ( 3.278 -3.074 0.263) 4.502 4.548 ( -1.224 16.121 2.843) 16.416 4.548 ( 1.224 16.121 2.843) 16.416 4.697 ( -1.960 1.693 0.209) 2.598 4.697 ( 1.960 1.693 0.209) 2.598 4.882 ( -5.480 0.135 -1.122) 5.595 4.882 ( 5.480 0.135 -1.122) 5.595 4.910 ( -4.633 -2.095 -2.649) 5.733 4.910 ( 4.633 -2.095 -2.649) 5.733 5.288 ( -0.498 0.680 2.509) 2.647 5.288 ( 0.498 0.680 2.509) 2.647 5.334 ( -0.662 -2.218 0.303) 2.335 5.334 ( 0.662 -2.218 0.303) 2.335 5.594 ( -0.603 -0.231 1.778) 1.892 5.594 ( 0.603 -0.231 1.778) 1.892 5.629 ( -0.377 -3.181 -1.170) 3.411 5.629 ( 0.377 -3.181 -1.170) 3.411 6.732 ( -2.831 7.441 3.484) 8.690 6.732 ( 2.831 7.441 3.484) 8.690 6.784 ( -3.102 1.127 0.652) 3.365 6.784 ( 3.102 1.127 0.652) 3.365 6.969 ( -1.136 13.236 -0.111) 13.285 6.969 ( 1.136 13.236 -0.111) 13.285 7.036 ( -1.413 3.402 -4.386) 5.728 7.036 ( 1.413 3.402 -4.386) 5.728 7.304 ( -1.186 -0.075 -3.500) 3.696 7.304 ( 1.186 -0.075 -3.500) 3.696 7.426 ( -1.942 -9.787 -2.811) 10.366 7.426 ( 1.942 -9.787 -2.811) 10.366 8.202 ( -3.382 5.487 1.716) 6.670 8.202 ( 3.382 5.487 1.716) 6.670 8.275 ( -3.988 -1.488 -1.037) 4.381 8.275 ( 3.988 -1.488 -1.037) 4.381 8.848 ( -2.878 4.057 1.134) 5.102 8.848 ( 2.878 4.057 1.134) 5.102 8.916 ( -3.120 -3.055 1.821) 4.731 8.916 ( 3.120 -3.055 1.821) 4.731 9.578 ( -0.699 17.214 0.702) 17.242 9.578 ( 0.699 17.214 0.702) 17.242 9.818 ( -0.937 -6.732 1.521) 6.965 9.818 ( 0.937 -6.732 1.521) 6.965 10.286 ( -2.592 4.670 -3.827) 6.571 10.286 ( 2.592 4.670 -3.827) 6.571 10.327 ( -5.715 1.006 -5.204) 7.795 10.327 ( 5.715 1.006 -5.204) 7.795 10.870 ( -3.720 7.050 6.557) 10.321 10.870 ( 3.720 7.050 6.557) 10.321 10.951 ( -3.531 -0.862 2.954) 4.684 10.951 ( 3.531 -0.862 2.954) 4.684 11.489 ( -1.003 14.215 -0.955) 14.283 11.489 ( 1.003 14.215 -0.955) 14.283 11.607 ( -0.221 2.718 -7.730) 8.197 11.607 ( 0.221 2.718 -7.730) 8.197 12.182 ( -0.756 17.506 3.097) 17.794 12.182 ( 0.756 17.506 3.097) 17.794 12.360 ( -2.153 -0.996 0.239) 2.384 12.360 ( 2.153 -0.996 0.239) 2.384 12.557 ( -3.372 2.956 6.914) 8.241 12.557 ( 3.372 2.956 6.914) 8.241 12.696 ( -5.516 -0.939 -4.565) 7.221 12.696 ( 5.516 -0.939 -4.565) 7.221 12.993 ( -3.221 -6.326 3.343) 7.846 12.993 ( 3.221 -6.326 3.343) 7.846 13.177 ( -2.589 -15.112 -2.006) 15.463 13.177 ( 2.589 -15.112 -2.006) 15.463 14.099 ( -1.317 13.736 -5.535) 14.868 14.099 ( 1.317 13.736 -5.535) 14.868 14.386 ( -0.746 -14.563 -4.682) 15.316 14.386 ( 0.746 -14.563 -4.682) 15.316 15.387 ( -1.652 10.082 3.308) 10.738 15.387 ( 1.652 10.082 3.308) 10.738 15.557 ( -0.057 -7.579 -0.431) 7.591 15.557 ( 0.057 -7.579 -0.431) 7.591 16.129 ( -1.744 10.433 -2.711) 10.920 16.129 ( 1.744 10.433 -2.711) 10.920 16.418 ( -1.564 -17.279 -2.924) 17.594 16.418 ( 1.564 -17.279 -2.924) 17.594 17.693 ( -1.439 5.256 3.367) 6.406 17.693 ( 1.439 5.256 3.367) 6.406 17.823 ( -0.639 -7.673 3.097) 8.299 17.823 ( 0.639 -7.673 3.097) 8.299 =================== 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 3/27216 10.0 2159.880 2515.599 2553.693 0.000 0.000 -0.000 3/27216 20.0 402.299 500.361 416.388 0.000 0.000 -0.000 3/27216 30.0 131.479 180.348 144.132 0.000 0.000 -0.000 3/27216 40.0 65.630 91.510 73.560 0.000 0.000 -0.000 3/27216 50.0 40.765 56.891 45.884 0.000 0.000 -0.000 3/27216 60.0 28.573 39.854 32.126 0.000 0.000 -0.000 3/27216 70.0 21.563 30.105 24.191 0.000 0.000 -0.000 3/27216 80.0 17.096 23.935 19.140 0.000 0.000 -0.000 3/27216 90.0 14.044 19.742 15.694 0.000 0.000 -0.000 3/27216 100.0 11.850 16.738 13.220 0.000 0.000 -0.000 3/27216 110.0 10.210 14.498 11.375 0.000 0.000 -0.000 3/27216 120.0 8.946 12.773 9.956 0.000 0.000 -0.000 3/27216 130.0 7.949 11.409 8.836 0.000 0.000 -0.000 3/27216 140.0 7.144 10.307 7.934 0.000 0.000 -0.000 3/27216 150.0 6.483 9.400 7.194 0.000 0.000 -0.000 3/27216 160.0 5.932 8.641 6.578 0.000 0.000 -0.000 3/27216 170.0 5.467 7.997 6.059 0.000 0.000 -0.000 3/27216 180.0 5.069 7.445 5.615 0.000 0.000 -0.000 3/27216 190.0 4.725 6.966 5.232 0.000 0.000 -0.000 3/27216 200.0 4.426 6.546 4.898 0.000 0.000 -0.000 3/27216 210.0 4.162 6.176 4.605 0.000 0.000 -0.000 3/27216 220.0 3.929 5.846 4.346 0.000 0.000 -0.000 3/27216 230.0 3.721 5.552 4.115 0.000 0.000 -0.000 3/27216 240.0 3.534 5.286 3.908 0.000 0.000 -0.000 3/27216 250.0 3.366 5.046 3.721 0.000 0.000 -0.000 3/27216 260.0 3.213 4.827 3.552 0.000 0.000 -0.000 3/27216 270.0 3.074 4.627 3.398 0.000 0.000 -0.000 3/27216 280.0 2.947 4.443 3.257 0.000 0.000 -0.000 3/27216 290.0 2.830 4.274 3.128 0.000 0.000 -0.000 3/27216 300.0 2.723 4.118 3.009 0.000 0.000 -0.000 3/27216 310.0 2.623 3.973 2.899 0.000 0.000 -0.000 3/27216 320.0 2.531 3.838 2.797 0.000 0.000 -0.000 3/27216 330.0 2.445 3.713 2.702 0.000 0.000 -0.000 3/27216 340.0 2.365 3.595 2.613 0.000 0.000 -0.000 3/27216 350.0 2.290 3.485 2.530 0.000 0.000 -0.000 3/27216 360.0 2.220 3.382 2.453 0.000 0.000 -0.000 3/27216 370.0 2.155 3.284 2.380 0.000 0.000 -0.000 3/27216 380.0 2.093 3.193 2.312 0.000 0.000 -0.000 3/27216 390.0 2.034 3.106 2.247 0.000 0.000 -0.000 3/27216 400.0 1.979 3.024 2.187 0.000 0.000 -0.000 3/27216 410.0 1.927 2.947 2.129 0.000 0.000 -0.000 3/27216 420.0 1.878 2.873 2.074 0.000 0.000 -0.000 3/27216 430.0 1.831 2.803 2.023 0.000 0.000 -0.000 3/27216 440.0 1.786 2.737 1.973 0.000 0.000 -0.000 3/27216 450.0 1.744 2.673 1.927 0.000 0.000 -0.000 3/27216 460.0 1.704 2.613 1.882 0.000 0.000 -0.000 3/27216 470.0 1.665 2.555 1.840 0.000 0.000 -0.000 3/27216 480.0 1.628 2.500 1.799 0.000 0.000 -0.000 3/27216 490.0 1.593 2.447 1.760 0.000 0.000 -0.000 3/27216 500.0 1.560 2.396 1.723 0.000 0.000 -0.000 3/27216 510.0 1.528 2.348 1.688 0.000 0.000 -0.000 3/27216 520.0 1.497 2.301 1.654 0.000 0.000 -0.000 3/27216 530.0 1.467 2.256 1.621 0.000 0.000 -0.000 3/27216 540.0 1.439 2.213 1.589 0.000 0.000 -0.000 3/27216 550.0 1.411 2.172 1.559 0.000 0.000 -0.000 3/27216 560.0 1.385 2.132 1.530 0.000 0.000 -0.000 3/27216 570.0 1.360 2.094 1.502 0.000 0.000 -0.000 3/27216 580.0 1.335 2.057 1.475 0.000 0.000 -0.000 3/27216 590.0 1.312 2.021 1.449 0.000 0.000 -0.000 3/27216 600.0 1.289 1.986 1.424 0.000 0.000 -0.000 3/27216 610.0 1.267 1.953 1.400 0.000 0.000 -0.000 3/27216 620.0 1.246 1.921 1.377 0.000 0.000 -0.000 3/27216 630.0 1.225 1.890 1.354 0.000 0.000 -0.000 3/27216 640.0 1.206 1.860 1.332 0.000 0.000 -0.000 3/27216 650.0 1.187 1.830 1.311 0.000 0.000 -0.000 3/27216 660.0 1.168 1.802 1.291 0.000 0.000 -0.000 3/27216 670.0 1.150 1.775 1.271 0.000 0.000 -0.000 3/27216 680.0 1.133 1.748 1.251 0.000 0.000 -0.000 3/27216 690.0 1.116 1.722 1.233 0.000 0.000 -0.000 3/27216 700.0 1.099 1.697 1.215 0.000 0.000 -0.000 3/27216 710.0 1.083 1.673 1.197 0.000 0.000 -0.000 3/27216 720.0 1.068 1.649 1.180 0.000 0.000 -0.000 3/27216 730.0 1.053 1.627 1.163 0.000 0.000 -0.000 3/27216 740.0 1.038 1.604 1.147 0.000 0.000 -0.000 3/27216 750.0 1.024 1.583 1.132 0.000 0.000 -0.000 3/27216 760.0 1.010 1.561 1.116 0.000 0.000 -0.000 3/27216 770.0 0.997 1.541 1.102 0.000 0.000 -0.000 3/27216 780.0 0.984 1.521 1.087 0.000 0.000 -0.000 3/27216 790.0 0.971 1.501 1.073 0.000 0.000 -0.000 3/27216 800.0 0.959 1.482 1.059 0.000 0.000 -0.000 3/27216 810.0 0.947 1.464 1.046 0.000 0.000 -0.000 3/27216 820.0 0.935 1.446 1.033 0.000 0.000 -0.000 3/27216 830.0 0.923 1.428 1.020 0.000 0.000 -0.000 3/27216 840.0 0.912 1.411 1.008 0.000 0.000 -0.000 3/27216 850.0 0.901 1.394 0.996 0.000 0.000 -0.000 3/27216 860.0 0.891 1.378 0.984 0.000 0.000 -0.000 3/27216 870.0 0.880 1.362 0.973 0.000 0.000 -0.000 3/27216 880.0 0.870 1.346 0.961 0.000 0.000 -0.000 3/27216 890.0 0.860 1.331 0.950 0.000 0.000 -0.000 3/27216 900.0 0.850 1.316 0.940 0.000 0.000 -0.000 3/27216 910.0 0.841 1.301 0.929 0.000 0.000 -0.000 3/27216 920.0 0.832 1.287 0.919 0.000 0.000 -0.000 3/27216 930.0 0.822 1.273 0.909 0.000 0.000 -0.000 3/27216 940.0 0.814 1.259 0.899 0.000 0.000 -0.000 3/27216 950.0 0.805 1.246 0.889 0.000 0.000 -0.000 3/27216 960.0 0.796 1.233 0.880 0.000 0.000 -0.000 3/27216 970.0 0.788 1.220 0.871 0.000 0.000 -0.000 3/27216 980.0 0.780 1.207 0.862 0.000 0.000 -0.000 3/27216 990.0 0.772 1.195 0.853 0.000 0.000 -0.000 3/27216 1000.0 0.764 1.183 0.844 0.000 0.000 -0.000 3/27216 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:04:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|