----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:02:33]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.720312710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.482909490000003 0.000000000000000 c 0.000000000000000 0.000000000000000 5.007861020000000 Atomic positions (fractional): *1 Nd 0.33801770577271 0.36469411125584 0.02240997996624 144.242 2 Nd 0.66198229422730 0.36469411125584 0.47759002003376 144.242 3 Nd 0.83801770577270 0.86469411125584 0.47759002003376 144.242 4 Nd 0.16198229422729 0.13530588874416 0.52240997996624 144.242 5 Nd 0.83801770577270 0.13530588874416 0.97759002003376 144.242 6 Nd 0.66198229422730 0.63530588874416 0.97759002003376 144.242 7 Nd 0.16198229422729 0.86469411125584 0.02240997996624 144.242 8 Nd 0.33801770577271 0.63530588874416 0.52240997996624 144.242 *9 Ti 0.50000000000000 0.09198671463857 0.75000000000000 47.867 *10 Ti 0.83699903228467 0.42174835887339 0.87071159005359 47.867 11 Ti 0.16300096771533 0.57825164112661 0.12928840994641 47.867 12 Ti 0.33699903228467 0.07825164112661 0.12928840994641 47.867 13 Ti 0.00000000000000 0.40801328536143 0.25000000000000 47.867 14 Ti 0.66300096771533 0.07825164112661 0.37071159005359 47.867 15 Ti 0.50000000000000 0.90801328536143 0.25000000000000 47.867 16 Ti 0.83699903228467 0.57825164112661 0.37071159005359 47.867 17 Ti 0.33699903228467 0.92174835887339 0.62928840994641 47.867 18 Ti 0.16300096771533 0.42174835887339 0.62928840994641 47.867 19 Ti 0.00000000000000 0.59198671463857 0.75000000000000 47.867 20 Ti 0.66300096771533 0.92174835887339 0.87071159005359 47.867 *21 Cl 0.42404578806998 0.60227609690442 0.01793362556489 35.453 22 Cl 0.92404578806998 0.10227609690442 0.48206637443511 35.453 23 Cl 0.92404578806998 0.89772390309558 0.98206637443511 35.453 24 Cl 0.57595421193002 0.60227609690442 0.48206637443511 35.453 25 Cl 0.07595421193002 0.10227609690442 0.01793362556489 35.453 26 Cl 0.07595421193002 0.89772390309558 0.51793362556489 35.453 27 Cl 0.42404578806998 0.39772390309558 0.51793362556489 35.453 28 Cl 0.57595421193002 0.39772390309558 0.98206637443511 35.453 *29 O 0.57664449564299 0.04555840395721 0.06294119751328 15.999 30 O 0.92335550435701 0.54555840395721 0.06294119751328 15.999 *31 O 0.91834463693196 0.68416663811328 0.57378612768928 15.999 32 O 0.41834463693196 0.81583336188672 0.42621387231072 15.999 *33 O 0.23877348637984 0.46949794057116 0.32972705506343 15.999 34 O 0.42335550435701 0.04555840395721 0.43705880248672 15.999 *35 O 0.72159652073243 0.79649453106697 0.74766319959102 15.999 36 O 0.91834463693196 0.31583336188672 0.07378612768928 15.999 37 O 0.22159652073243 0.70350546893303 0.25233680040898 15.999 38 O 0.73877348637984 0.96949794057116 0.17027294493657 15.999 39 O 0.77840347926757 0.70350546893303 0.24766319959102 15.999 40 O 0.27840347926757 0.20350546893303 0.25233680040898 15.999 41 O 0.76122651362016 0.46949794057116 0.17027294493657 15.999 42 O 0.26122651362016 0.03050205942884 0.82972705506343 15.999 43 O 0.22159652073243 0.29649453106697 0.75233680040898 15.999 44 O 0.07664449564299 0.54555840395721 0.43705880248672 15.999 45 O 0.57664449564299 0.95444159604279 0.56294119751328 15.999 46 O 0.42335550435701 0.95444159604279 0.93705880248672 15.999 47 O 0.41834463693196 0.18416663811328 0.92621387231072 15.999 48 O 0.73877348637984 0.03050205942884 0.67027294493657 15.999 49 O 0.23877348637984 0.53050205942884 0.82972705506343 15.999 50 O 0.92335550435701 0.45444159604279 0.56294119751328 15.999 51 O 0.27840347926757 0.79649453106697 0.75233680040898 15.999 52 O 0.08165536306804 0.68416663811328 0.92621387231072 15.999 53 O 0.08165536306804 0.31583336188672 0.42621387231072 15.999 54 O 0.77840347926757 0.29649453106697 0.74766319959102 15.999 55 O 0.76122651362016 0.53050205942884 0.67027294493657 15.999 56 O 0.07664449564299 0.45444159604279 0.93705880248672 15.999 57 O 0.72159652073243 0.20350546893303 0.24766319959102 15.999 58 O 0.26122651362016 0.96949794057116 0.32972705506343 15.999 59 O 0.58165536306804 0.18416663811328 0.57378612768928 15.999 60 O 0.58165536306804 0.81583336188672 0.07378612768928 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.720312710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.482909490000003 0.000000000000000 c 0.000000000000000 0.000000000000000 5.007861020000000 Atomic positions (fractional): *1 Nd 0.33801770577271 0.36469411125584 0.02240997996624 144.242 > 1 2 Nd 0.66198229422730 0.36469411125584 0.47759002003376 144.242 > 2 3 Nd 0.83801770577270 0.86469411125584 0.47759002003376 144.242 > 3 4 Nd 0.16198229422729 0.13530588874416 0.52240997996624 144.242 > 4 5 Nd 0.83801770577270 0.13530588874416 0.97759002003376 144.242 > 5 6 Nd 0.66198229422730 0.63530588874416 0.97759002003376 144.242 > 6 7 Nd 0.16198229422729 0.86469411125584 0.02240997996624 144.242 > 7 8 Nd 0.33801770577271 0.63530588874416 0.52240997996624 144.242 > 8 *9 Ti 0.50000000000000 0.09198671463857 0.75000000000000 47.867 > 9 *10 Ti 0.83699903228467 0.42174835887339 0.87071159005359 47.867 > 10 11 Ti 0.16300096771533 0.57825164112661 0.12928840994641 47.867 > 11 12 Ti 0.33699903228467 0.07825164112661 0.12928840994641 47.867 > 12 13 Ti 0.00000000000000 0.40801328536143 0.25000000000000 47.867 > 13 14 Ti 0.66300096771533 0.07825164112661 0.37071159005359 47.867 > 14 15 Ti 0.50000000000000 0.90801328536143 0.25000000000000 47.867 > 15 16 Ti 0.83699903228467 0.57825164112661 0.37071159005359 47.867 > 16 17 Ti 0.33699903228467 0.92174835887339 0.62928840994641 47.867 > 17 18 Ti 0.16300096771533 0.42174835887339 0.62928840994641 47.867 > 18 19 Ti 0.00000000000000 0.59198671463857 0.75000000000000 47.867 > 19 20 Ti 0.66300096771533 0.92174835887339 0.87071159005359 47.867 > 20 *21 Cl 0.42404578806998 0.60227609690442 0.01793362556489 35.453 > 21 22 Cl 0.92404578806998 0.10227609690442 0.48206637443511 35.453 > 22 23 Cl 0.92404578806998 0.89772390309558 0.98206637443511 35.453 > 23 24 Cl 0.57595421193002 0.60227609690442 0.48206637443511 35.453 > 24 25 Cl 0.07595421193002 0.10227609690442 0.01793362556489 35.453 > 25 26 Cl 0.07595421193002 0.89772390309558 0.51793362556489 35.453 > 26 27 Cl 0.42404578806998 0.39772390309558 0.51793362556489 35.453 > 27 28 Cl 0.57595421193002 0.39772390309558 0.98206637443511 35.453 > 28 *29 O 0.57664449564299 0.04555840395721 0.06294119751328 15.999 > 29 30 O 0.92335550435701 0.54555840395721 0.06294119751328 15.999 > 30 *31 O 0.91834463693196 0.68416663811328 0.57378612768928 15.999 > 31 32 O 0.41834463693196 0.81583336188672 0.42621387231072 15.999 > 32 *33 O 0.23877348637984 0.46949794057116 0.32972705506343 15.999 > 33 34 O 0.42335550435701 0.04555840395721 0.43705880248672 15.999 > 34 *35 O 0.72159652073243 0.79649453106697 0.74766319959102 15.999 > 35 36 O 0.91834463693196 0.31583336188672 0.07378612768928 15.999 > 36 37 O 0.22159652073243 0.70350546893303 0.25233680040898 15.999 > 37 38 O 0.73877348637984 0.96949794057116 0.17027294493657 15.999 > 38 39 O 0.77840347926757 0.70350546893303 0.24766319959102 15.999 > 39 40 O 0.27840347926757 0.20350546893303 0.25233680040898 15.999 > 40 41 O 0.76122651362016 0.46949794057116 0.17027294493657 15.999 > 41 42 O 0.26122651362016 0.03050205942884 0.82972705506343 15.999 > 42 43 O 0.22159652073243 0.29649453106697 0.75233680040898 15.999 > 43 44 O 0.07664449564299 0.54555840395721 0.43705880248672 15.999 > 44 45 O 0.57664449564299 0.95444159604279 0.56294119751328 15.999 > 45 46 O 0.42335550435701 0.95444159604279 0.93705880248672 15.999 > 46 47 O 0.41834463693196 0.18416663811328 0.92621387231072 15.999 > 47 48 O 0.73877348637984 0.03050205942884 0.67027294493657 15.999 > 48 49 O 0.23877348637984 0.53050205942884 0.82972705506343 15.999 > 49 50 O 0.92335550435701 0.45444159604279 0.56294119751328 15.999 > 50 51 O 0.27840347926757 0.79649453106697 0.75233680040898 15.999 > 51 52 O 0.08165536306804 0.68416663811328 0.92621387231072 15.999 > 52 53 O 0.08165536306804 0.31583336188672 0.42621387231072 15.999 > 53 54 O 0.77840347926757 0.29649453106697 0.74766319959102 15.999 > 54 55 O 0.76122651362016 0.53050205942884 0.67027294493657 15.999 > 55 56 O 0.07664449564299 0.45444159604279 0.93705880248672 15.999 > 56 57 O 0.72159652073243 0.20350546893303 0.24766319959102 15.999 > 57 58 O 0.26122651362016 0.96949794057116 0.32972705506343 15.999 > 58 59 O 0.58165536306804 0.18416663811328 0.57378612768928 15.999 > 59 60 O 0.58165536306804 0.81583336188672 0.07378612768928 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.720312710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.482909490000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.015722040000000 Atomic positions (fractional): *1 Nd 0.33801770577271 0.36469411125584 0.01120498998312 144.242 > 1 2 Nd 0.33801770577271 0.36469411125584 0.51120498998312 144.242 > 1 3 Nd 0.66198229422730 0.36469411125584 0.23879501001688 144.242 > 2 4 Nd 0.66198229422730 0.36469411125584 0.73879501001688 144.242 > 2 5 Nd 0.83801770577270 0.86469411125584 0.23879501001688 144.242 > 3 6 Nd 0.83801770577270 0.86469411125584 0.73879501001688 144.242 > 3 7 Nd 0.16198229422729 0.13530588874416 0.26120498998312 144.242 > 4 8 Nd 0.16198229422729 0.13530588874416 0.76120498998312 144.242 > 4 9 Nd 0.83801770577270 0.13530588874416 0.48879501001688 144.242 > 5 10 Nd 0.83801770577270 0.13530588874416 0.98879501001688 144.242 > 5 11 Nd 0.66198229422730 0.63530588874416 0.48879501001688 144.242 > 6 12 Nd 0.66198229422730 0.63530588874416 0.98879501001688 144.242 > 6 13 Nd 0.16198229422729 0.86469411125584 0.01120498998312 144.242 > 7 14 Nd 0.16198229422729 0.86469411125584 0.51120498998312 144.242 > 7 15 Nd 0.33801770577271 0.63530588874416 0.26120498998312 144.242 > 8 16 Nd 0.33801770577271 0.63530588874416 0.76120498998312 144.242 > 8 *17 Ti 0.50000000000000 0.09198671463857 0.37500000000000 47.867 > 9 18 Ti 0.50000000000000 0.09198671463857 0.87500000000000 47.867 > 9 *19 Ti 0.83699903228467 0.42174835887339 0.43535579502679 47.867 > 10 20 Ti 0.83699903228467 0.42174835887339 0.93535579502679 47.867 > 10 21 Ti 0.16300096771533 0.57825164112661 0.06464420497321 47.867 > 11 22 Ti 0.16300096771533 0.57825164112661 0.56464420497321 47.867 > 11 23 Ti 0.33699903228467 0.07825164112661 0.06464420497321 47.867 > 12 24 Ti 0.33699903228467 0.07825164112661 0.56464420497321 47.867 > 12 25 Ti 0.00000000000000 0.40801328536143 0.12500000000000 47.867 > 13 26 Ti 0.00000000000000 0.40801328536143 0.62500000000000 47.867 > 13 27 Ti 0.66300096771533 0.07825164112661 0.18535579502679 47.867 > 14 28 Ti 0.66300096771533 0.07825164112661 0.68535579502679 47.867 > 14 29 Ti 0.50000000000000 0.90801328536143 0.12500000000000 47.867 > 15 30 Ti 0.50000000000000 0.90801328536143 0.62500000000000 47.867 > 15 31 Ti 0.83699903228467 0.57825164112661 0.18535579502679 47.867 > 16 32 Ti 0.83699903228467 0.57825164112661 0.68535579502679 47.867 > 16 33 Ti 0.33699903228467 0.92174835887339 0.31464420497321 47.867 > 17 34 Ti 0.33699903228467 0.92174835887339 0.81464420497321 47.867 > 17 35 Ti 0.16300096771533 0.42174835887339 0.31464420497321 47.867 > 18 36 Ti 0.16300096771533 0.42174835887339 0.81464420497321 47.867 > 18 37 Ti 0.00000000000000 0.59198671463857 0.37500000000000 47.867 > 19 38 Ti 0.00000000000000 0.59198671463857 0.87500000000000 47.867 > 19 39 Ti 0.66300096771533 0.92174835887339 0.43535579502679 47.867 > 20 40 Ti 0.66300096771533 0.92174835887339 0.93535579502679 47.867 > 20 *41 Cl 0.42404578806998 0.60227609690442 0.00896681278244 35.453 > 21 42 Cl 0.42404578806998 0.60227609690442 0.50896681278244 35.453 > 21 43 Cl 0.92404578806998 0.10227609690442 0.24103318721756 35.453 > 22 44 Cl 0.92404578806998 0.10227609690442 0.74103318721756 35.453 > 22 45 Cl 0.92404578806998 0.89772390309558 0.49103318721756 35.453 > 23 46 Cl 0.92404578806998 0.89772390309558 0.99103318721756 35.453 > 23 47 Cl 0.57595421193002 0.60227609690442 0.24103318721756 35.453 > 24 48 Cl 0.57595421193002 0.60227609690442 0.74103318721756 35.453 > 24 49 Cl 0.07595421193002 0.10227609690442 0.00896681278244 35.453 > 25 50 Cl 0.07595421193002 0.10227609690442 0.50896681278244 35.453 > 25 51 Cl 0.07595421193002 0.89772390309558 0.25896681278244 35.453 > 26 52 Cl 0.07595421193002 0.89772390309558 0.75896681278244 35.453 > 26 53 Cl 0.42404578806998 0.39772390309558 0.25896681278244 35.453 > 27 54 Cl 0.42404578806998 0.39772390309558 0.75896681278244 35.453 > 27 55 Cl 0.57595421193002 0.39772390309558 0.49103318721756 35.453 > 28 56 Cl 0.57595421193002 0.39772390309558 0.99103318721756 35.453 > 28 *57 O 0.57664449564299 0.04555840395721 0.03147059875664 15.999 > 29 58 O 0.57664449564299 0.04555840395721 0.53147059875664 15.999 > 29 59 O 0.92335550435701 0.54555840395721 0.03147059875664 15.999 > 30 60 O 0.92335550435701 0.54555840395721 0.53147059875664 15.999 > 30 *61 O 0.91834463693196 0.68416663811328 0.28689306384464 15.999 > 31 62 O 0.91834463693196 0.68416663811328 0.78689306384464 15.999 > 31 63 O 0.41834463693196 0.81583336188672 0.21310693615536 15.999 > 32 64 O 0.41834463693196 0.81583336188672 0.71310693615536 15.999 > 32 *65 O 0.23877348637984 0.46949794057116 0.16486352753172 15.999 > 33 66 O 0.23877348637984 0.46949794057116 0.66486352753172 15.999 > 33 67 O 0.42335550435701 0.04555840395721 0.21852940124336 15.999 > 34 68 O 0.42335550435701 0.04555840395721 0.71852940124336 15.999 > 34 *69 O 0.72159652073243 0.79649453106697 0.37383159979551 15.999 > 35 70 O 0.72159652073243 0.79649453106697 0.87383159979551 15.999 > 35 71 O 0.91834463693196 0.31583336188672 0.03689306384464 15.999 > 36 72 O 0.91834463693196 0.31583336188672 0.53689306384464 15.999 > 36 73 O 0.22159652073243 0.70350546893303 0.12616840020449 15.999 > 37 74 O 0.22159652073243 0.70350546893303 0.62616840020449 15.999 > 37 75 O 0.73877348637984 0.96949794057116 0.08513647246828 15.999 > 38 76 O 0.73877348637984 0.96949794057116 0.58513647246828 15.999 > 38 77 O 0.77840347926757 0.70350546893303 0.12383159979551 15.999 > 39 78 O 0.77840347926757 0.70350546893303 0.62383159979551 15.999 > 39 79 O 0.27840347926757 0.20350546893303 0.12616840020449 15.999 > 40 80 O 0.27840347926757 0.20350546893303 0.62616840020449 15.999 > 40 81 O 0.76122651362016 0.46949794057116 0.08513647246828 15.999 > 41 82 O 0.76122651362016 0.46949794057116 0.58513647246828 15.999 > 41 83 O 0.26122651362016 0.03050205942884 0.41486352753172 15.999 > 42 84 O 0.26122651362016 0.03050205942884 0.91486352753172 15.999 > 42 85 O 0.22159652073243 0.29649453106697 0.37616840020449 15.999 > 43 86 O 0.22159652073243 0.29649453106697 0.87616840020449 15.999 > 43 87 O 0.07664449564299 0.54555840395721 0.21852940124336 15.999 > 44 88 O 0.07664449564299 0.54555840395721 0.71852940124336 15.999 > 44 89 O 0.57664449564299 0.95444159604279 0.28147059875664 15.999 > 45 90 O 0.57664449564299 0.95444159604279 0.78147059875664 15.999 > 45 91 O 0.42335550435701 0.95444159604279 0.46852940124336 15.999 > 46 92 O 0.42335550435701 0.95444159604279 0.96852940124336 15.999 > 46 93 O 0.41834463693196 0.18416663811328 0.46310693615536 15.999 > 47 94 O 0.41834463693196 0.18416663811328 0.96310693615536 15.999 > 47 95 O 0.73877348637984 0.03050205942884 0.33513647246828 15.999 > 48 96 O 0.73877348637984 0.03050205942884 0.83513647246828 15.999 > 48 97 O 0.23877348637984 0.53050205942884 0.41486352753172 15.999 > 49 98 O 0.23877348637984 0.53050205942884 0.91486352753172 15.999 > 49 99 O 0.92335550435701 0.45444159604279 0.28147059875664 15.999 > 50 100 O 0.92335550435701 0.45444159604279 0.78147059875664 15.999 > 50 101 O 0.27840347926757 0.79649453106697 0.37616840020449 15.999 > 51 102 O 0.27840347926757 0.79649453106697 0.87616840020449 15.999 > 51 103 O 0.08165536306804 0.68416663811328 0.46310693615536 15.999 > 52 104 O 0.08165536306804 0.68416663811328 0.96310693615536 15.999 > 52 105 O 0.08165536306804 0.31583336188672 0.21310693615536 15.999 > 53 106 O 0.08165536306804 0.31583336188672 0.71310693615536 15.999 > 53 107 O 0.77840347926757 0.29649453106697 0.37383159979551 15.999 > 54 108 O 0.77840347926757 0.29649453106697 0.87383159979551 15.999 > 54 109 O 0.76122651362016 0.53050205942884 0.33513647246828 15.999 > 55 110 O 0.76122651362016 0.53050205942884 0.83513647246828 15.999 > 55 111 O 0.07664449564299 0.45444159604279 0.46852940124336 15.999 > 56 112 O 0.07664449564299 0.45444159604279 0.96852940124336 15.999 > 56 113 O 0.72159652073243 0.20350546893303 0.12383159979551 15.999 > 57 114 O 0.72159652073243 0.20350546893303 0.62383159979551 15.999 > 57 115 O 0.26122651362016 0.96949794057116 0.16486352753172 15.999 > 58 116 O 0.26122651362016 0.96949794057116 0.66486352753172 15.999 > 58 117 O 0.58165536306804 0.18416663811328 0.28689306384464 15.999 > 59 118 O 0.58165536306804 0.18416663811328 0.78689306384464 15.999 > 59 119 O 0.58165536306804 0.81583336188672 0.03689306384464 15.999 > 60 120 O 0.58165536306804 0.81583336188672 0.53689306384464 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0751264 0.0000000 0.0000000 0.0000000 4.6802260 0.0000000 0.0000000 0.0000000 5.2914953 -------------------------- Born effective charges -------------------------- 1 Nd 4.2803900 -0.6891858 0.2283617 -0.2945263 4.6804099 -0.2560582 0.2859059 0.4343768 4.1203056 2 Nd 4.2803900 0.6891858 0.2283617 0.2945263 4.6804099 0.2560582 0.2859059 -0.4343768 4.1203056 3 Nd 4.2803900 -0.6891858 -0.2283617 -0.2945263 4.6804099 0.2560582 -0.2859059 -0.4343768 4.1203056 4 Nd 4.2803900 -0.6891858 -0.2283617 -0.2945263 4.6804099 0.2560582 -0.2859059 -0.4343768 4.1203056 5 Nd 4.2803900 0.6891858 -0.2283617 0.2945263 4.6804099 -0.2560582 -0.2859059 0.4343768 4.1203056 6 Nd 4.2803900 -0.6891858 0.2283617 -0.2945263 4.6804099 -0.2560582 0.2859059 0.4343768 4.1203056 7 Nd 4.2803900 0.6891858 -0.2283617 0.2945263 4.6804099 -0.2560582 -0.2859059 0.4343768 4.1203056 8 Nd 4.2803900 0.6891858 0.2283617 0.2945263 4.6804099 0.2560582 0.2859059 -0.4343768 4.1203056 9 Ti 5.8064588 0.0000000 -0.7984128 0.0000000 3.2560565 -0.0000000 -0.5905392 -0.0000000 5.8620225 10 Ti 4.5634857 0.1746415 0.3639421 0.1157707 4.2341083 0.3008677 0.0590891 -0.6329398 5.5854747 11 Ti 4.5634857 0.1746415 0.3639421 0.1157707 4.2341083 0.3008677 0.0590891 -0.6329398 5.5854747 12 Ti 4.5634857 -0.1746415 -0.3639421 -0.1157707 4.2341083 0.3008677 -0.0590891 -0.6329398 5.5854747 13 Ti 5.8064588 0.0000000 0.7984128 0.0000000 3.2560565 -0.0000000 0.5905392 -0.0000000 5.8620225 14 Ti 4.5634857 0.1746415 -0.3639421 0.1157707 4.2341083 -0.3008677 -0.0590891 0.6329398 5.5854747 15 Ti 5.8064588 0.0000000 -0.7984128 0.0000000 3.2560565 -0.0000000 -0.5905392 -0.0000000 5.8620225 16 Ti 4.5634857 -0.1746415 0.3639421 -0.1157707 4.2341083 -0.3008677 0.0590891 0.6329398 5.5854747 17 Ti 4.5634857 0.1746415 -0.3639421 0.1157707 4.2341083 -0.3008677 -0.0590891 0.6329398 5.5854747 18 Ti 4.5634857 -0.1746415 0.3639421 -0.1157707 4.2341083 -0.3008677 0.0590891 0.6329398 5.5854747 19 Ti 5.8064588 0.0000000 0.7984128 0.0000000 3.2560565 -0.0000000 0.5905392 -0.0000000 5.8620225 20 Ti 4.5634857 -0.1746415 -0.3639421 -0.1157707 4.2341083 0.3008677 -0.0590891 -0.6329398 5.5854747 21 Cl -1.2367051 -0.1848298 -0.0210814 -0.1425152 -1.0744722 0.0206656 -0.0264210 0.0669965 -1.7687285 22 Cl -1.2367051 -0.1848298 0.0210814 -0.1425152 -1.0744722 -0.0206656 0.0264210 -0.0669965 -1.7687285 23 Cl -1.2367051 0.1848298 0.0210814 0.1425152 -1.0744722 0.0206656 0.0264210 0.0669965 -1.7687285 24 Cl -1.2367051 0.1848298 -0.0210814 0.1425152 -1.0744722 -0.0206656 -0.0264210 -0.0669965 -1.7687285 25 Cl -1.2367051 0.1848298 0.0210814 0.1425152 -1.0744722 0.0206656 0.0264210 0.0669965 -1.7687285 26 Cl -1.2367051 -0.1848298 0.0210814 -0.1425152 -1.0744722 -0.0206656 0.0264210 -0.0669965 -1.7687285 27 Cl -1.2367051 0.1848298 -0.0210814 0.1425152 -1.0744722 -0.0206656 -0.0264210 -0.0669965 -1.7687285 28 Cl -1.2367051 -0.1848298 -0.0210814 -0.1425152 -1.0744722 0.0206656 -0.0264210 0.0669965 -1.7687285 29 O -2.6728415 0.0913478 -0.8877942 0.1717182 -1.5456767 0.0608506 -1.0883346 0.1924203 -3.5762609 30 O -2.6728415 -0.0913478 0.8877942 -0.1717182 -1.5456767 0.0608506 1.0883346 0.1924203 -3.5762609 31 O -3.0648652 0.8407764 -1.5168983 0.6030800 -2.6061010 0.2389013 -1.5080371 0.1920524 -2.1812451 32 O -3.0648652 -0.8407764 1.5168983 -0.6030800 -2.6061010 0.2389013 1.5080371 0.1920524 -2.1812451 33 O -2.5226304 0.3150128 0.4303542 0.2174313 -2.0139472 0.4681158 0.4960499 0.7652992 -3.2822421 34 O -2.6728415 -0.0913478 -0.8877942 -0.1717182 -1.5456767 -0.0608506 -1.0883346 -0.1924203 -3.5762609 35 O -2.2500629 0.7775424 1.0109666 0.5705767 -3.3023493 -0.1867354 1.0492266 0.0996058 -1.8283150 36 O -3.0648652 -0.8407764 -1.5168983 -0.6030800 -2.6061010 -0.2389013 -1.5080371 -0.1920524 -2.1812451 37 O -2.2500629 -0.7775424 -1.0109666 -0.5705767 -3.3023493 -0.1867354 -1.0492266 0.0996058 -1.8283150 38 O -2.5226304 0.3150128 -0.4303542 0.2174313 -2.0139472 -0.4681158 -0.4960499 -0.7652992 -3.2822421 39 O -2.2500629 0.7775424 -1.0109666 0.5705767 -3.3023493 0.1867354 -1.0492266 -0.0996058 -1.8283150 40 O -2.2500629 0.7775424 1.0109666 0.5705767 -3.3023493 -0.1867354 1.0492266 0.0996058 -1.8283150 41 O -2.5226304 -0.3150128 0.4303542 -0.2174313 -2.0139472 -0.4681158 0.4960499 -0.7652992 -3.2822421 42 O -2.5226304 0.3150128 -0.4303542 0.2174313 -2.0139472 -0.4681158 -0.4960499 -0.7652992 -3.2822421 43 O -2.2500629 0.7775424 -1.0109666 0.5705767 -3.3023493 0.1867354 -1.0492266 -0.0996058 -1.8283150 44 O -2.6728415 0.0913478 0.8877942 0.1717182 -1.5456767 -0.0608506 1.0883346 -0.1924203 -3.5762609 45 O -2.6728415 -0.0913478 -0.8877942 -0.1717182 -1.5456767 -0.0608506 -1.0883346 -0.1924203 -3.5762609 46 O -2.6728415 0.0913478 -0.8877942 0.1717182 -1.5456767 0.0608506 -1.0883346 0.1924203 -3.5762609 47 O -3.0648652 0.8407764 1.5168983 0.6030800 -2.6061010 -0.2389013 1.5080371 -0.1920524 -2.1812451 48 O -2.5226304 -0.3150128 -0.4303542 -0.2174313 -2.0139472 0.4681158 -0.4960499 0.7652992 -3.2822421 49 O -2.5226304 -0.3150128 0.4303542 -0.2174313 -2.0139472 -0.4681158 0.4960499 -0.7652992 -3.2822421 50 O -2.6728415 0.0913478 0.8877942 0.1717182 -1.5456767 -0.0608506 1.0883346 -0.1924203 -3.5762609 51 O -2.2500629 -0.7775424 1.0109666 -0.5705767 -3.3023493 0.1867354 1.0492266 -0.0996058 -1.8283150 52 O -3.0648652 -0.8407764 -1.5168983 -0.6030800 -2.6061010 -0.2389013 -1.5080371 -0.1920524 -2.1812451 53 O -3.0648652 0.8407764 -1.5168983 0.6030800 -2.6061010 0.2389013 -1.5080371 0.1920524 -2.1812451 54 O -2.2500629 -0.7775424 -1.0109666 -0.5705767 -3.3023493 -0.1867354 -1.0492266 0.0996058 -1.8283150 55 O -2.5226304 0.3150128 0.4303542 0.2174313 -2.0139472 0.4681158 0.4960499 0.7652992 -3.2822421 56 O -2.6728415 -0.0913478 0.8877942 -0.1717182 -1.5456767 0.0608506 1.0883346 0.1924203 -3.5762609 57 O -2.2500629 -0.7775424 1.0109666 -0.5705767 -3.3023493 0.1867354 1.0492266 -0.0996058 -1.8283150 58 O -2.5226304 -0.3150128 -0.4303542 -0.2174313 -2.0139472 0.4681158 -0.4960499 0.7652992 -3.2822421 59 O -3.0648652 -0.8407764 1.5168983 -0.6030800 -2.6061010 0.2389013 1.5080371 0.1920524 -2.1812451 60 O -3.0648652 0.8407764 1.5168983 0.6030800 -2.6061010 -0.2389013 1.5080371 -0.1920524 -2.1812451 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4186 Number of blocks in projector: 4186 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 385 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 386 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4186, 4118), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (898, 884), data: False |-- (898, 12), data: (898, 26) @ (26, 12) |-- (398, 386), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (898, 884), data: False |-- (898, 13), data: (898, 27) @ (27, 13) |-- (398, 385), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 2.499 Solver_block: 200 / 960 - Time: 2.626 Solver_block: 300 / 960 - Time: 3.081 Solver_block: 400 / 960 - Time: 2.736 Solver_block: 500 / 960 - Time: 2.663 Solver_block: 600 / 960 - Time: 2.843 Solver_block: 700 / 960 - Time: 3.248 Solver_block: 800 / 960 - Time: 2.638 Solver_block: 900 / 960 - Time: 2.407 Solver_block: 960 / 960 - Time: 1.451 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 26.960 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4186 Number of blocks in projector: 4186 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 385 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 898 Use submatrix version of eigh solver. (1) Block: 500 / 898 (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: 898 / 898 (1) 386 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4186, 4118), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (898, 884), data: False |-- (898, 12), data: (898, 26) @ (26, 12) |-- (398, 386), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (898, 884), data: False |-- (898, 13), data: (898, 27) @ (27, 13) |-- (398, 385), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), 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 2026-01-08 15:04:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:04:28]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.720312710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.482909490000003 0.000000000000000 c 0.000000000000000 0.000000000000000 5.007861020000000 Atomic positions (fractional): 1 Nd 0.33801770577271 0.36469411125584 0.02240997996624 144.242 2 Nd 0.66198229422730 0.36469411125584 0.47759002003376 144.242 3 Nd 0.83801770577270 0.86469411125584 0.47759002003376 144.242 4 Nd 0.16198229422729 0.13530588874416 0.52240997996624 144.242 5 Nd 0.83801770577270 0.13530588874416 0.97759002003376 144.242 6 Nd 0.66198229422730 0.63530588874416 0.97759002003376 144.242 7 Nd 0.16198229422729 0.86469411125584 0.02240997996624 144.242 8 Nd 0.33801770577271 0.63530588874416 0.52240997996624 144.242 9 Ti 0.50000000000000 0.09198671463857 0.75000000000000 47.867 10 Ti 0.83699903228467 0.42174835887339 0.87071159005359 47.867 11 Ti 0.16300096771533 0.57825164112661 0.12928840994641 47.867 12 Ti 0.33699903228467 0.07825164112661 0.12928840994641 47.867 13 Ti 0.00000000000000 0.40801328536143 0.25000000000000 47.867 14 Ti 0.66300096771533 0.07825164112661 0.37071159005359 47.867 15 Ti 0.50000000000000 0.90801328536143 0.25000000000000 47.867 16 Ti 0.83699903228467 0.57825164112661 0.37071159005359 47.867 17 Ti 0.33699903228467 0.92174835887339 0.62928840994641 47.867 18 Ti 0.16300096771533 0.42174835887339 0.62928840994641 47.867 19 Ti 0.00000000000000 0.59198671463857 0.75000000000000 47.867 20 Ti 0.66300096771533 0.92174835887339 0.87071159005359 47.867 21 Cl 0.42404578806998 0.60227609690442 0.01793362556489 35.453 22 Cl 0.92404578806998 0.10227609690442 0.48206637443511 35.453 23 Cl 0.92404578806998 0.89772390309558 0.98206637443511 35.453 24 Cl 0.57595421193002 0.60227609690442 0.48206637443511 35.453 25 Cl 0.07595421193002 0.10227609690442 0.01793362556489 35.453 26 Cl 0.07595421193002 0.89772390309558 0.51793362556489 35.453 27 Cl 0.42404578806998 0.39772390309558 0.51793362556489 35.453 28 Cl 0.57595421193002 0.39772390309558 0.98206637443511 35.453 29 O 0.57664449564299 0.04555840395721 0.06294119751328 15.999 30 O 0.92335550435701 0.54555840395721 0.06294119751328 15.999 31 O 0.91834463693196 0.68416663811328 0.57378612768928 15.999 32 O 0.41834463693196 0.81583336188672 0.42621387231072 15.999 33 O 0.23877348637984 0.46949794057116 0.32972705506343 15.999 34 O 0.42335550435701 0.04555840395721 0.43705880248672 15.999 35 O 0.72159652073243 0.79649453106697 0.74766319959102 15.999 36 O 0.91834463693196 0.31583336188672 0.07378612768928 15.999 37 O 0.22159652073243 0.70350546893303 0.25233680040898 15.999 38 O 0.73877348637984 0.96949794057116 0.17027294493657 15.999 39 O 0.77840347926757 0.70350546893303 0.24766319959102 15.999 40 O 0.27840347926757 0.20350546893303 0.25233680040898 15.999 41 O 0.76122651362016 0.46949794057116 0.17027294493657 15.999 42 O 0.26122651362016 0.03050205942884 0.82972705506343 15.999 43 O 0.22159652073243 0.29649453106697 0.75233680040898 15.999 44 O 0.07664449564299 0.54555840395721 0.43705880248672 15.999 45 O 0.57664449564299 0.95444159604279 0.56294119751328 15.999 46 O 0.42335550435701 0.95444159604279 0.93705880248672 15.999 47 O 0.41834463693196 0.18416663811328 0.92621387231072 15.999 48 O 0.73877348637984 0.03050205942884 0.67027294493657 15.999 49 O 0.23877348637984 0.53050205942884 0.82972705506343 15.999 50 O 0.92335550435701 0.45444159604279 0.56294119751328 15.999 51 O 0.27840347926757 0.79649453106697 0.75233680040898 15.999 52 O 0.08165536306804 0.68416663811328 0.92621387231072 15.999 53 O 0.08165536306804 0.31583336188672 0.42621387231072 15.999 54 O 0.77840347926757 0.29649453106697 0.74766319959102 15.999 55 O 0.76122651362016 0.53050205942884 0.67027294493657 15.999 56 O 0.07664449564299 0.45444159604279 0.93705880248672 15.999 57 O 0.72159652073243 0.20350546893303 0.24766319959102 15.999 58 O 0.26122651362016 0.96949794057116 0.32972705506343 15.999 59 O 0.58165536306804 0.18416663811328 0.57378612768928 15.999 60 O 0.58165536306804 0.81583336188672 0.07378612768928 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.720312710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.482909490000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.015722040000000 Atomic positions (fractional): 1 Nd 0.33801770577271 0.36469411125584 0.01120498998312 144.242 > 1 2 Nd 0.33801770577271 0.36469411125584 0.51120498998312 144.242 > 1 3 Nd 0.66198229422730 0.36469411125584 0.23879501001688 144.242 > 3 4 Nd 0.66198229422730 0.36469411125584 0.73879501001688 144.242 > 3 5 Nd 0.83801770577270 0.86469411125584 0.23879501001688 144.242 > 5 6 Nd 0.83801770577270 0.86469411125584 0.73879501001688 144.242 > 5 7 Nd 0.16198229422729 0.13530588874416 0.26120498998312 144.242 > 7 8 Nd 0.16198229422729 0.13530588874416 0.76120498998312 144.242 > 7 9 Nd 0.83801770577270 0.13530588874416 0.48879501001688 144.242 > 9 10 Nd 0.83801770577270 0.13530588874416 0.98879501001688 144.242 > 9 11 Nd 0.66198229422730 0.63530588874416 0.48879501001688 144.242 > 11 12 Nd 0.66198229422730 0.63530588874416 0.98879501001688 144.242 > 11 13 Nd 0.16198229422729 0.86469411125584 0.01120498998312 144.242 > 13 14 Nd 0.16198229422729 0.86469411125584 0.51120498998312 144.242 > 13 15 Nd 0.33801770577271 0.63530588874416 0.26120498998312 144.242 > 15 16 Nd 0.33801770577271 0.63530588874416 0.76120498998312 144.242 > 15 17 Ti 0.50000000000000 0.09198671463857 0.37500000000000 47.867 > 17 18 Ti 0.50000000000000 0.09198671463857 0.87500000000000 47.867 > 17 19 Ti 0.83699903228467 0.42174835887339 0.43535579502679 47.867 > 19 20 Ti 0.83699903228467 0.42174835887339 0.93535579502679 47.867 > 19 21 Ti 0.16300096771533 0.57825164112661 0.06464420497321 47.867 > 21 22 Ti 0.16300096771533 0.57825164112661 0.56464420497321 47.867 > 21 23 Ti 0.33699903228467 0.07825164112661 0.06464420497321 47.867 > 23 24 Ti 0.33699903228467 0.07825164112661 0.56464420497321 47.867 > 23 25 Ti 0.00000000000000 0.40801328536143 0.12500000000000 47.867 > 25 26 Ti 0.00000000000000 0.40801328536143 0.62500000000000 47.867 > 25 27 Ti 0.66300096771533 0.07825164112661 0.18535579502679 47.867 > 27 28 Ti 0.66300096771533 0.07825164112661 0.68535579502679 47.867 > 27 29 Ti 0.50000000000000 0.90801328536143 0.12500000000000 47.867 > 29 30 Ti 0.50000000000000 0.90801328536143 0.62500000000000 47.867 > 29 31 Ti 0.83699903228467 0.57825164112661 0.18535579502679 47.867 > 31 32 Ti 0.83699903228467 0.57825164112661 0.68535579502679 47.867 > 31 33 Ti 0.33699903228467 0.92174835887339 0.31464420497321 47.867 > 33 34 Ti 0.33699903228467 0.92174835887339 0.81464420497321 47.867 > 33 35 Ti 0.16300096771533 0.42174835887339 0.31464420497321 47.867 > 35 36 Ti 0.16300096771533 0.42174835887339 0.81464420497321 47.867 > 35 37 Ti 0.00000000000000 0.59198671463857 0.37500000000000 47.867 > 37 38 Ti 0.00000000000000 0.59198671463857 0.87500000000000 47.867 > 37 39 Ti 0.66300096771533 0.92174835887339 0.43535579502679 47.867 > 39 40 Ti 0.66300096771533 0.92174835887339 0.93535579502679 47.867 > 39 41 Cl 0.42404578806998 0.60227609690442 0.00896681278244 35.453 > 41 42 Cl 0.42404578806998 0.60227609690442 0.50896681278244 35.453 > 41 43 Cl 0.92404578806998 0.10227609690442 0.24103318721756 35.453 > 43 44 Cl 0.92404578806998 0.10227609690442 0.74103318721756 35.453 > 43 45 Cl 0.92404578806998 0.89772390309558 0.49103318721756 35.453 > 45 46 Cl 0.92404578806998 0.89772390309558 0.99103318721756 35.453 > 45 47 Cl 0.57595421193002 0.60227609690442 0.24103318721756 35.453 > 47 48 Cl 0.57595421193002 0.60227609690442 0.74103318721756 35.453 > 47 49 Cl 0.07595421193002 0.10227609690442 0.00896681278244 35.453 > 49 50 Cl 0.07595421193002 0.10227609690442 0.50896681278244 35.453 > 49 51 Cl 0.07595421193002 0.89772390309558 0.25896681278244 35.453 > 51 52 Cl 0.07595421193002 0.89772390309558 0.75896681278244 35.453 > 51 53 Cl 0.42404578806998 0.39772390309558 0.25896681278244 35.453 > 53 54 Cl 0.42404578806998 0.39772390309558 0.75896681278244 35.453 > 53 55 Cl 0.57595421193002 0.39772390309558 0.49103318721756 35.453 > 55 56 Cl 0.57595421193002 0.39772390309558 0.99103318721756 35.453 > 55 57 O 0.57664449564299 0.04555840395721 0.03147059875664 15.999 > 57 58 O 0.57664449564299 0.04555840395721 0.53147059875664 15.999 > 57 59 O 0.92335550435701 0.54555840395721 0.03147059875664 15.999 > 59 60 O 0.92335550435701 0.54555840395721 0.53147059875664 15.999 > 59 61 O 0.91834463693196 0.68416663811328 0.28689306384464 15.999 > 61 62 O 0.91834463693196 0.68416663811328 0.78689306384464 15.999 > 61 63 O 0.41834463693196 0.81583336188672 0.21310693615536 15.999 > 63 64 O 0.41834463693196 0.81583336188672 0.71310693615536 15.999 > 63 65 O 0.23877348637984 0.46949794057116 0.16486352753172 15.999 > 65 66 O 0.23877348637984 0.46949794057116 0.66486352753172 15.999 > 65 67 O 0.42335550435701 0.04555840395721 0.21852940124336 15.999 > 67 68 O 0.42335550435701 0.04555840395721 0.71852940124336 15.999 > 67 69 O 0.72159652073243 0.79649453106697 0.37383159979551 15.999 > 69 70 O 0.72159652073243 0.79649453106697 0.87383159979551 15.999 > 69 71 O 0.91834463693196 0.31583336188672 0.03689306384464 15.999 > 71 72 O 0.91834463693196 0.31583336188672 0.53689306384464 15.999 > 71 73 O 0.22159652073243 0.70350546893303 0.12616840020449 15.999 > 73 74 O 0.22159652073243 0.70350546893303 0.62616840020449 15.999 > 73 75 O 0.73877348637984 0.96949794057116 0.08513647246828 15.999 > 75 76 O 0.73877348637984 0.96949794057116 0.58513647246828 15.999 > 75 77 O 0.77840347926757 0.70350546893303 0.12383159979551 15.999 > 77 78 O 0.77840347926757 0.70350546893303 0.62383159979551 15.999 > 77 79 O 0.27840347926757 0.20350546893303 0.12616840020449 15.999 > 79 80 O 0.27840347926757 0.20350546893303 0.62616840020449 15.999 > 79 81 O 0.76122651362016 0.46949794057116 0.08513647246828 15.999 > 81 82 O 0.76122651362016 0.46949794057116 0.58513647246828 15.999 > 81 83 O 0.26122651362016 0.03050205942884 0.41486352753172 15.999 > 83 84 O 0.26122651362016 0.03050205942884 0.91486352753172 15.999 > 83 85 O 0.22159652073243 0.29649453106697 0.37616840020449 15.999 > 85 86 O 0.22159652073243 0.29649453106697 0.87616840020449 15.999 > 85 87 O 0.07664449564299 0.54555840395721 0.21852940124336 15.999 > 87 88 O 0.07664449564299 0.54555840395721 0.71852940124336 15.999 > 87 89 O 0.57664449564299 0.95444159604279 0.28147059875664 15.999 > 89 90 O 0.57664449564299 0.95444159604279 0.78147059875664 15.999 > 89 91 O 0.42335550435701 0.95444159604279 0.46852940124336 15.999 > 91 92 O 0.42335550435701 0.95444159604279 0.96852940124336 15.999 > 91 93 O 0.41834463693196 0.18416663811328 0.46310693615536 15.999 > 93 94 O 0.41834463693196 0.18416663811328 0.96310693615536 15.999 > 93 95 O 0.73877348637984 0.03050205942884 0.33513647246828 15.999 > 95 96 O 0.73877348637984 0.03050205942884 0.83513647246828 15.999 > 95 97 O 0.23877348637984 0.53050205942884 0.41486352753172 15.999 > 97 98 O 0.23877348637984 0.53050205942884 0.91486352753172 15.999 > 97 99 O 0.92335550435701 0.45444159604279 0.28147059875664 15.999 > 99 100 O 0.92335550435701 0.45444159604279 0.78147059875664 15.999 > 99 101 O 0.27840347926757 0.79649453106697 0.37616840020449 15.999 > 101 102 O 0.27840347926757 0.79649453106697 0.87616840020449 15.999 > 101 103 O 0.08165536306804 0.68416663811328 0.46310693615536 15.999 > 103 104 O 0.08165536306804 0.68416663811328 0.96310693615536 15.999 > 103 105 O 0.08165536306804 0.31583336188672 0.21310693615536 15.999 > 105 106 O 0.08165536306804 0.31583336188672 0.71310693615536 15.999 > 105 107 O 0.77840347926757 0.29649453106697 0.37383159979551 15.999 > 107 108 O 0.77840347926757 0.29649453106697 0.87383159979551 15.999 > 107 109 O 0.76122651362016 0.53050205942884 0.33513647246828 15.999 > 109 110 O 0.76122651362016 0.53050205942884 0.83513647246828 15.999 > 109 111 O 0.07664449564299 0.45444159604279 0.46852940124336 15.999 > 111 112 O 0.07664449564299 0.45444159604279 0.96852940124336 15.999 > 111 113 O 0.72159652073243 0.20350546893303 0.12383159979551 15.999 > 113 114 O 0.72159652073243 0.20350546893303 0.62383159979551 15.999 > 113 115 O 0.26122651362016 0.96949794057116 0.16486352753172 15.999 > 115 116 O 0.26122651362016 0.96949794057116 0.66486352753172 15.999 > 115 117 O 0.58165536306804 0.18416663811328 0.28689306384464 15.999 > 117 118 O 0.58165536306804 0.18416663811328 0.78689306384464 15.999 > 117 119 O 0.58165536306804 0.81583336188672 0.03689306384464 15.999 > 119 120 O 0.58165536306804 0.81583336188672 0.53689306384464 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0751264 0.0000000 0.0000000 0.0000000 4.6802260 0.0000000 0.0000000 0.0000000 5.2914953 -------------------------- Born effective charges -------------------------- 1 Nd 4.2803900 -0.6891858 0.2283617 -0.2945263 4.6804099 -0.2560582 0.2859059 0.4343768 4.1203056 2 Nd 4.2803900 0.6891858 0.2283617 0.2945263 4.6804099 0.2560582 0.2859059 -0.4343768 4.1203056 3 Nd 4.2803900 -0.6891858 -0.2283617 -0.2945263 4.6804099 0.2560582 -0.2859059 -0.4343768 4.1203056 4 Nd 4.2803900 -0.6891858 -0.2283617 -0.2945263 4.6804099 0.2560582 -0.2859059 -0.4343768 4.1203056 5 Nd 4.2803900 0.6891858 -0.2283617 0.2945263 4.6804099 -0.2560582 -0.2859059 0.4343768 4.1203056 6 Nd 4.2803900 -0.6891858 0.2283617 -0.2945263 4.6804099 -0.2560582 0.2859059 0.4343768 4.1203056 7 Nd 4.2803900 0.6891858 -0.2283617 0.2945263 4.6804099 -0.2560582 -0.2859059 0.4343768 4.1203056 8 Nd 4.2803900 0.6891858 0.2283617 0.2945263 4.6804099 0.2560582 0.2859059 -0.4343768 4.1203056 9 Ti 5.8064588 0.0000000 -0.7984128 0.0000000 3.2560565 -0.0000000 -0.5905392 -0.0000000 5.8620225 10 Ti 4.5634857 0.1746415 0.3639421 0.1157707 4.2341083 0.3008677 0.0590891 -0.6329398 5.5854747 11 Ti 4.5634857 0.1746415 0.3639421 0.1157707 4.2341083 0.3008677 0.0590891 -0.6329398 5.5854747 12 Ti 4.5634857 -0.1746415 -0.3639421 -0.1157707 4.2341083 0.3008677 -0.0590891 -0.6329398 5.5854747 13 Ti 5.8064588 0.0000000 0.7984128 0.0000000 3.2560565 -0.0000000 0.5905392 -0.0000000 5.8620225 14 Ti 4.5634857 0.1746415 -0.3639421 0.1157707 4.2341083 -0.3008677 -0.0590891 0.6329398 5.5854747 15 Ti 5.8064588 0.0000000 -0.7984128 0.0000000 3.2560565 -0.0000000 -0.5905392 -0.0000000 5.8620225 16 Ti 4.5634857 -0.1746415 0.3639421 -0.1157707 4.2341083 -0.3008677 0.0590891 0.6329398 5.5854747 17 Ti 4.5634857 0.1746415 -0.3639421 0.1157707 4.2341083 -0.3008677 -0.0590891 0.6329398 5.5854747 18 Ti 4.5634857 -0.1746415 0.3639421 -0.1157707 4.2341083 -0.3008677 0.0590891 0.6329398 5.5854747 19 Ti 5.8064588 0.0000000 0.7984128 0.0000000 3.2560565 -0.0000000 0.5905392 -0.0000000 5.8620225 20 Ti 4.5634857 -0.1746415 -0.3639421 -0.1157707 4.2341083 0.3008677 -0.0590891 -0.6329398 5.5854747 21 Cl -1.2367051 -0.1848298 -0.0210814 -0.1425152 -1.0744722 0.0206656 -0.0264210 0.0669965 -1.7687285 22 Cl -1.2367051 -0.1848298 0.0210814 -0.1425152 -1.0744722 -0.0206656 0.0264210 -0.0669965 -1.7687285 23 Cl -1.2367051 0.1848298 0.0210814 0.1425152 -1.0744722 0.0206656 0.0264210 0.0669965 -1.7687285 24 Cl -1.2367051 0.1848298 -0.0210814 0.1425152 -1.0744722 -0.0206656 -0.0264210 -0.0669965 -1.7687285 25 Cl -1.2367051 0.1848298 0.0210814 0.1425152 -1.0744722 0.0206656 0.0264210 0.0669965 -1.7687285 26 Cl -1.2367051 -0.1848298 0.0210814 -0.1425152 -1.0744722 -0.0206656 0.0264210 -0.0669965 -1.7687285 27 Cl -1.2367051 0.1848298 -0.0210814 0.1425152 -1.0744722 -0.0206656 -0.0264210 -0.0669965 -1.7687285 28 Cl -1.2367051 -0.1848298 -0.0210814 -0.1425152 -1.0744722 0.0206656 -0.0264210 0.0669965 -1.7687285 29 O -2.6728415 0.0913478 -0.8877942 0.1717182 -1.5456767 0.0608506 -1.0883346 0.1924203 -3.5762609 30 O -2.6728415 -0.0913478 0.8877942 -0.1717182 -1.5456767 0.0608506 1.0883346 0.1924203 -3.5762609 31 O -3.0648652 0.8407764 -1.5168983 0.6030800 -2.6061010 0.2389013 -1.5080371 0.1920524 -2.1812451 32 O -3.0648652 -0.8407764 1.5168983 -0.6030800 -2.6061010 0.2389013 1.5080371 0.1920524 -2.1812451 33 O -2.5226304 0.3150128 0.4303542 0.2174313 -2.0139472 0.4681158 0.4960499 0.7652992 -3.2822421 34 O -2.6728415 -0.0913478 -0.8877942 -0.1717182 -1.5456767 -0.0608506 -1.0883346 -0.1924203 -3.5762609 35 O -2.2500629 0.7775424 1.0109666 0.5705767 -3.3023493 -0.1867354 1.0492266 0.0996058 -1.8283150 36 O -3.0648652 -0.8407764 -1.5168983 -0.6030800 -2.6061010 -0.2389013 -1.5080371 -0.1920524 -2.1812451 37 O -2.2500629 -0.7775424 -1.0109666 -0.5705767 -3.3023493 -0.1867354 -1.0492266 0.0996058 -1.8283150 38 O -2.5226304 0.3150128 -0.4303542 0.2174313 -2.0139472 -0.4681158 -0.4960499 -0.7652992 -3.2822421 39 O -2.2500629 0.7775424 -1.0109666 0.5705767 -3.3023493 0.1867354 -1.0492266 -0.0996058 -1.8283150 40 O -2.2500629 0.7775424 1.0109666 0.5705767 -3.3023493 -0.1867354 1.0492266 0.0996058 -1.8283150 41 O -2.5226304 -0.3150128 0.4303542 -0.2174313 -2.0139472 -0.4681158 0.4960499 -0.7652992 -3.2822421 42 O -2.5226304 0.3150128 -0.4303542 0.2174313 -2.0139472 -0.4681158 -0.4960499 -0.7652992 -3.2822421 43 O -2.2500629 0.7775424 -1.0109666 0.5705767 -3.3023493 0.1867354 -1.0492266 -0.0996058 -1.8283150 44 O -2.6728415 0.0913478 0.8877942 0.1717182 -1.5456767 -0.0608506 1.0883346 -0.1924203 -3.5762609 45 O -2.6728415 -0.0913478 -0.8877942 -0.1717182 -1.5456767 -0.0608506 -1.0883346 -0.1924203 -3.5762609 46 O -2.6728415 0.0913478 -0.8877942 0.1717182 -1.5456767 0.0608506 -1.0883346 0.1924203 -3.5762609 47 O -3.0648652 0.8407764 1.5168983 0.6030800 -2.6061010 -0.2389013 1.5080371 -0.1920524 -2.1812451 48 O -2.5226304 -0.3150128 -0.4303542 -0.2174313 -2.0139472 0.4681158 -0.4960499 0.7652992 -3.2822421 49 O -2.5226304 -0.3150128 0.4303542 -0.2174313 -2.0139472 -0.4681158 0.4960499 -0.7652992 -3.2822421 50 O -2.6728415 0.0913478 0.8877942 0.1717182 -1.5456767 -0.0608506 1.0883346 -0.1924203 -3.5762609 51 O -2.2500629 -0.7775424 1.0109666 -0.5705767 -3.3023493 0.1867354 1.0492266 -0.0996058 -1.8283150 52 O -3.0648652 -0.8407764 -1.5168983 -0.6030800 -2.6061010 -0.2389013 -1.5080371 -0.1920524 -2.1812451 53 O -3.0648652 0.8407764 -1.5168983 0.6030800 -2.6061010 0.2389013 -1.5080371 0.1920524 -2.1812451 54 O -2.2500629 -0.7775424 -1.0109666 -0.5705767 -3.3023493 -0.1867354 -1.0492266 0.0996058 -1.8283150 55 O -2.5226304 0.3150128 0.4303542 0.2174313 -2.0139472 0.4681158 0.4960499 0.7652992 -3.2822421 56 O -2.6728415 -0.0913478 0.8877942 -0.1717182 -1.5456767 0.0608506 1.0883346 0.1924203 -3.5762609 57 O -2.2500629 -0.7775424 1.0109666 -0.5705767 -3.3023493 0.1867354 1.0492266 -0.0996058 -1.8283150 58 O -2.5226304 -0.3150128 -0.4303542 -0.2174313 -2.0139472 0.4681158 -0.4960499 0.7652992 -3.2822421 59 O -3.0648652 -0.8407764 1.5168983 -0.6030800 -2.6061010 0.2389013 1.5080371 0.1920524 -2.1812451 60 O -3.0648652 0.8407764 1.5168983 0.6030800 -2.6061010 -0.2389013 1.5080371 -0.1920524 -2.1812451 ---------------------------------------------------------------------------- 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[ 19, 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[ 41, 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[ 57, 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[ 61, 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[ 65, 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[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (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 2026-01-08 15:05:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:05:18]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.720312710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.482909490000003 0.000000000000000 c 0.000000000000000 0.000000000000000 5.007861020000000 Atomic positions (fractional): 1 Nd 0.33801770577271 0.36469411125584 0.02240997996624 144.242 2 Nd 0.66198229422730 0.36469411125584 0.47759002003376 144.242 3 Nd 0.83801770577270 0.86469411125584 0.47759002003376 144.242 4 Nd 0.16198229422729 0.13530588874416 0.52240997996624 144.242 5 Nd 0.83801770577270 0.13530588874416 0.97759002003376 144.242 6 Nd 0.66198229422730 0.63530588874416 0.97759002003376 144.242 7 Nd 0.16198229422729 0.86469411125584 0.02240997996624 144.242 8 Nd 0.33801770577271 0.63530588874416 0.52240997996624 144.242 9 Ti 0.50000000000000 0.09198671463857 0.75000000000000 47.867 10 Ti 0.83699903228467 0.42174835887339 0.87071159005359 47.867 11 Ti 0.16300096771533 0.57825164112661 0.12928840994641 47.867 12 Ti 0.33699903228467 0.07825164112661 0.12928840994641 47.867 13 Ti 0.00000000000000 0.40801328536143 0.25000000000000 47.867 14 Ti 0.66300096771533 0.07825164112661 0.37071159005359 47.867 15 Ti 0.50000000000000 0.90801328536143 0.25000000000000 47.867 16 Ti 0.83699903228467 0.57825164112661 0.37071159005359 47.867 17 Ti 0.33699903228467 0.92174835887339 0.62928840994641 47.867 18 Ti 0.16300096771533 0.42174835887339 0.62928840994641 47.867 19 Ti 0.00000000000000 0.59198671463857 0.75000000000000 47.867 20 Ti 0.66300096771533 0.92174835887339 0.87071159005359 47.867 21 Cl 0.42404578806998 0.60227609690442 0.01793362556489 35.453 22 Cl 0.92404578806998 0.10227609690442 0.48206637443511 35.453 23 Cl 0.92404578806998 0.89772390309558 0.98206637443511 35.453 24 Cl 0.57595421193002 0.60227609690442 0.48206637443511 35.453 25 Cl 0.07595421193002 0.10227609690442 0.01793362556489 35.453 26 Cl 0.07595421193002 0.89772390309558 0.51793362556489 35.453 27 Cl 0.42404578806998 0.39772390309558 0.51793362556489 35.453 28 Cl 0.57595421193002 0.39772390309558 0.98206637443511 35.453 29 O 0.57664449564299 0.04555840395721 0.06294119751328 15.999 30 O 0.92335550435701 0.54555840395721 0.06294119751328 15.999 31 O 0.91834463693196 0.68416663811328 0.57378612768928 15.999 32 O 0.41834463693196 0.81583336188672 0.42621387231072 15.999 33 O 0.23877348637984 0.46949794057116 0.32972705506343 15.999 34 O 0.42335550435701 0.04555840395721 0.43705880248672 15.999 35 O 0.72159652073243 0.79649453106697 0.74766319959102 15.999 36 O 0.91834463693196 0.31583336188672 0.07378612768928 15.999 37 O 0.22159652073243 0.70350546893303 0.25233680040898 15.999 38 O 0.73877348637984 0.96949794057116 0.17027294493657 15.999 39 O 0.77840347926757 0.70350546893303 0.24766319959102 15.999 40 O 0.27840347926757 0.20350546893303 0.25233680040898 15.999 41 O 0.76122651362016 0.46949794057116 0.17027294493657 15.999 42 O 0.26122651362016 0.03050205942884 0.82972705506343 15.999 43 O 0.22159652073243 0.29649453106697 0.75233680040898 15.999 44 O 0.07664449564299 0.54555840395721 0.43705880248672 15.999 45 O 0.57664449564299 0.95444159604279 0.56294119751328 15.999 46 O 0.42335550435701 0.95444159604279 0.93705880248672 15.999 47 O 0.41834463693196 0.18416663811328 0.92621387231072 15.999 48 O 0.73877348637984 0.03050205942884 0.67027294493657 15.999 49 O 0.23877348637984 0.53050205942884 0.82972705506343 15.999 50 O 0.92335550435701 0.45444159604279 0.56294119751328 15.999 51 O 0.27840347926757 0.79649453106697 0.75233680040898 15.999 52 O 0.08165536306804 0.68416663811328 0.92621387231072 15.999 53 O 0.08165536306804 0.31583336188672 0.42621387231072 15.999 54 O 0.77840347926757 0.29649453106697 0.74766319959102 15.999 55 O 0.76122651362016 0.53050205942884 0.67027294493657 15.999 56 O 0.07664449564299 0.45444159604279 0.93705880248672 15.999 57 O 0.72159652073243 0.20350546893303 0.24766319959102 15.999 58 O 0.26122651362016 0.96949794057116 0.32972705506343 15.999 59 O 0.58165536306804 0.18416663811328 0.57378612768928 15.999 60 O 0.58165536306804 0.81583336188672 0.07378612768928 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.720312710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.482909490000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.015722040000000 Atomic positions (fractional): 1 Nd 0.33801770577271 0.36469411125584 0.01120498998312 144.242 > 1 2 Nd 0.33801770577271 0.36469411125584 0.51120498998312 144.242 > 1 3 Nd 0.66198229422730 0.36469411125584 0.23879501001688 144.242 > 3 4 Nd 0.66198229422730 0.36469411125584 0.73879501001688 144.242 > 3 5 Nd 0.83801770577270 0.86469411125584 0.23879501001688 144.242 > 5 6 Nd 0.83801770577270 0.86469411125584 0.73879501001688 144.242 > 5 7 Nd 0.16198229422729 0.13530588874416 0.26120498998312 144.242 > 7 8 Nd 0.16198229422729 0.13530588874416 0.76120498998312 144.242 > 7 9 Nd 0.83801770577270 0.13530588874416 0.48879501001688 144.242 > 9 10 Nd 0.83801770577270 0.13530588874416 0.98879501001688 144.242 > 9 11 Nd 0.66198229422730 0.63530588874416 0.48879501001688 144.242 > 11 12 Nd 0.66198229422730 0.63530588874416 0.98879501001688 144.242 > 11 13 Nd 0.16198229422729 0.86469411125584 0.01120498998312 144.242 > 13 14 Nd 0.16198229422729 0.86469411125584 0.51120498998312 144.242 > 13 15 Nd 0.33801770577271 0.63530588874416 0.26120498998312 144.242 > 15 16 Nd 0.33801770577271 0.63530588874416 0.76120498998312 144.242 > 15 17 Ti 0.50000000000000 0.09198671463857 0.37500000000000 47.867 > 17 18 Ti 0.50000000000000 0.09198671463857 0.87500000000000 47.867 > 17 19 Ti 0.83699903228467 0.42174835887339 0.43535579502679 47.867 > 19 20 Ti 0.83699903228467 0.42174835887339 0.93535579502679 47.867 > 19 21 Ti 0.16300096771533 0.57825164112661 0.06464420497321 47.867 > 21 22 Ti 0.16300096771533 0.57825164112661 0.56464420497321 47.867 > 21 23 Ti 0.33699903228467 0.07825164112661 0.06464420497321 47.867 > 23 24 Ti 0.33699903228467 0.07825164112661 0.56464420497321 47.867 > 23 25 Ti 0.00000000000000 0.40801328536143 0.12500000000000 47.867 > 25 26 Ti 0.00000000000000 0.40801328536143 0.62500000000000 47.867 > 25 27 Ti 0.66300096771533 0.07825164112661 0.18535579502679 47.867 > 27 28 Ti 0.66300096771533 0.07825164112661 0.68535579502679 47.867 > 27 29 Ti 0.50000000000000 0.90801328536143 0.12500000000000 47.867 > 29 30 Ti 0.50000000000000 0.90801328536143 0.62500000000000 47.867 > 29 31 Ti 0.83699903228467 0.57825164112661 0.18535579502679 47.867 > 31 32 Ti 0.83699903228467 0.57825164112661 0.68535579502679 47.867 > 31 33 Ti 0.33699903228467 0.92174835887339 0.31464420497321 47.867 > 33 34 Ti 0.33699903228467 0.92174835887339 0.81464420497321 47.867 > 33 35 Ti 0.16300096771533 0.42174835887339 0.31464420497321 47.867 > 35 36 Ti 0.16300096771533 0.42174835887339 0.81464420497321 47.867 > 35 37 Ti 0.00000000000000 0.59198671463857 0.37500000000000 47.867 > 37 38 Ti 0.00000000000000 0.59198671463857 0.87500000000000 47.867 > 37 39 Ti 0.66300096771533 0.92174835887339 0.43535579502679 47.867 > 39 40 Ti 0.66300096771533 0.92174835887339 0.93535579502679 47.867 > 39 41 Cl 0.42404578806998 0.60227609690442 0.00896681278244 35.453 > 41 42 Cl 0.42404578806998 0.60227609690442 0.50896681278244 35.453 > 41 43 Cl 0.92404578806998 0.10227609690442 0.24103318721756 35.453 > 43 44 Cl 0.92404578806998 0.10227609690442 0.74103318721756 35.453 > 43 45 Cl 0.92404578806998 0.89772390309558 0.49103318721756 35.453 > 45 46 Cl 0.92404578806998 0.89772390309558 0.99103318721756 35.453 > 45 47 Cl 0.57595421193002 0.60227609690442 0.24103318721756 35.453 > 47 48 Cl 0.57595421193002 0.60227609690442 0.74103318721756 35.453 > 47 49 Cl 0.07595421193002 0.10227609690442 0.00896681278244 35.453 > 49 50 Cl 0.07595421193002 0.10227609690442 0.50896681278244 35.453 > 49 51 Cl 0.07595421193002 0.89772390309558 0.25896681278244 35.453 > 51 52 Cl 0.07595421193002 0.89772390309558 0.75896681278244 35.453 > 51 53 Cl 0.42404578806998 0.39772390309558 0.25896681278244 35.453 > 53 54 Cl 0.42404578806998 0.39772390309558 0.75896681278244 35.453 > 53 55 Cl 0.57595421193002 0.39772390309558 0.49103318721756 35.453 > 55 56 Cl 0.57595421193002 0.39772390309558 0.99103318721756 35.453 > 55 57 O 0.57664449564299 0.04555840395721 0.03147059875664 15.999 > 57 58 O 0.57664449564299 0.04555840395721 0.53147059875664 15.999 > 57 59 O 0.92335550435701 0.54555840395721 0.03147059875664 15.999 > 59 60 O 0.92335550435701 0.54555840395721 0.53147059875664 15.999 > 59 61 O 0.91834463693196 0.68416663811328 0.28689306384464 15.999 > 61 62 O 0.91834463693196 0.68416663811328 0.78689306384464 15.999 > 61 63 O 0.41834463693196 0.81583336188672 0.21310693615536 15.999 > 63 64 O 0.41834463693196 0.81583336188672 0.71310693615536 15.999 > 63 65 O 0.23877348637984 0.46949794057116 0.16486352753172 15.999 > 65 66 O 0.23877348637984 0.46949794057116 0.66486352753172 15.999 > 65 67 O 0.42335550435701 0.04555840395721 0.21852940124336 15.999 > 67 68 O 0.42335550435701 0.04555840395721 0.71852940124336 15.999 > 67 69 O 0.72159652073243 0.79649453106697 0.37383159979551 15.999 > 69 70 O 0.72159652073243 0.79649453106697 0.87383159979551 15.999 > 69 71 O 0.91834463693196 0.31583336188672 0.03689306384464 15.999 > 71 72 O 0.91834463693196 0.31583336188672 0.53689306384464 15.999 > 71 73 O 0.22159652073243 0.70350546893303 0.12616840020449 15.999 > 73 74 O 0.22159652073243 0.70350546893303 0.62616840020449 15.999 > 73 75 O 0.73877348637984 0.96949794057116 0.08513647246828 15.999 > 75 76 O 0.73877348637984 0.96949794057116 0.58513647246828 15.999 > 75 77 O 0.77840347926757 0.70350546893303 0.12383159979551 15.999 > 77 78 O 0.77840347926757 0.70350546893303 0.62383159979551 15.999 > 77 79 O 0.27840347926757 0.20350546893303 0.12616840020449 15.999 > 79 80 O 0.27840347926757 0.20350546893303 0.62616840020449 15.999 > 79 81 O 0.76122651362016 0.46949794057116 0.08513647246828 15.999 > 81 82 O 0.76122651362016 0.46949794057116 0.58513647246828 15.999 > 81 83 O 0.26122651362016 0.03050205942884 0.41486352753172 15.999 > 83 84 O 0.26122651362016 0.03050205942884 0.91486352753172 15.999 > 83 85 O 0.22159652073243 0.29649453106697 0.37616840020449 15.999 > 85 86 O 0.22159652073243 0.29649453106697 0.87616840020449 15.999 > 85 87 O 0.07664449564299 0.54555840395721 0.21852940124336 15.999 > 87 88 O 0.07664449564299 0.54555840395721 0.71852940124336 15.999 > 87 89 O 0.57664449564299 0.95444159604279 0.28147059875664 15.999 > 89 90 O 0.57664449564299 0.95444159604279 0.78147059875664 15.999 > 89 91 O 0.42335550435701 0.95444159604279 0.46852940124336 15.999 > 91 92 O 0.42335550435701 0.95444159604279 0.96852940124336 15.999 > 91 93 O 0.41834463693196 0.18416663811328 0.46310693615536 15.999 > 93 94 O 0.41834463693196 0.18416663811328 0.96310693615536 15.999 > 93 95 O 0.73877348637984 0.03050205942884 0.33513647246828 15.999 > 95 96 O 0.73877348637984 0.03050205942884 0.83513647246828 15.999 > 95 97 O 0.23877348637984 0.53050205942884 0.41486352753172 15.999 > 97 98 O 0.23877348637984 0.53050205942884 0.91486352753172 15.999 > 97 99 O 0.92335550435701 0.45444159604279 0.28147059875664 15.999 > 99 100 O 0.92335550435701 0.45444159604279 0.78147059875664 15.999 > 99 101 O 0.27840347926757 0.79649453106697 0.37616840020449 15.999 > 101 102 O 0.27840347926757 0.79649453106697 0.87616840020449 15.999 > 101 103 O 0.08165536306804 0.68416663811328 0.46310693615536 15.999 > 103 104 O 0.08165536306804 0.68416663811328 0.96310693615536 15.999 > 103 105 O 0.08165536306804 0.31583336188672 0.21310693615536 15.999 > 105 106 O 0.08165536306804 0.31583336188672 0.71310693615536 15.999 > 105 107 O 0.77840347926757 0.29649453106697 0.37383159979551 15.999 > 107 108 O 0.77840347926757 0.29649453106697 0.87383159979551 15.999 > 107 109 O 0.76122651362016 0.53050205942884 0.33513647246828 15.999 > 109 110 O 0.76122651362016 0.53050205942884 0.83513647246828 15.999 > 109 111 O 0.07664449564299 0.45444159604279 0.46852940124336 15.999 > 111 112 O 0.07664449564299 0.45444159604279 0.96852940124336 15.999 > 111 113 O 0.72159652073243 0.20350546893303 0.12383159979551 15.999 > 113 114 O 0.72159652073243 0.20350546893303 0.62383159979551 15.999 > 113 115 O 0.26122651362016 0.96949794057116 0.16486352753172 15.999 > 115 116 O 0.26122651362016 0.96949794057116 0.66486352753172 15.999 > 115 117 O 0.58165536306804 0.18416663811328 0.28689306384464 15.999 > 117 118 O 0.58165536306804 0.18416663811328 0.78689306384464 15.999 > 117 119 O 0.58165536306804 0.81583336188672 0.03689306384464 15.999 > 119 120 O 0.58165536306804 0.81583336188672 0.53689306384464 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0751264 0.0000000 0.0000000 0.0000000 4.6802260 0.0000000 0.0000000 0.0000000 5.2914953 -------------------------- Born effective charges -------------------------- 1 Nd 4.2803900 -0.6891858 0.2283617 -0.2945263 4.6804099 -0.2560582 0.2859059 0.4343768 4.1203056 2 Nd 4.2803900 0.6891858 0.2283617 0.2945263 4.6804099 0.2560582 0.2859059 -0.4343768 4.1203056 3 Nd 4.2803900 -0.6891858 -0.2283617 -0.2945263 4.6804099 0.2560582 -0.2859059 -0.4343768 4.1203056 4 Nd 4.2803900 -0.6891858 -0.2283617 -0.2945263 4.6804099 0.2560582 -0.2859059 -0.4343768 4.1203056 5 Nd 4.2803900 0.6891858 -0.2283617 0.2945263 4.6804099 -0.2560582 -0.2859059 0.4343768 4.1203056 6 Nd 4.2803900 -0.6891858 0.2283617 -0.2945263 4.6804099 -0.2560582 0.2859059 0.4343768 4.1203056 7 Nd 4.2803900 0.6891858 -0.2283617 0.2945263 4.6804099 -0.2560582 -0.2859059 0.4343768 4.1203056 8 Nd 4.2803900 0.6891858 0.2283617 0.2945263 4.6804099 0.2560582 0.2859059 -0.4343768 4.1203056 9 Ti 5.8064588 0.0000000 -0.7984128 0.0000000 3.2560565 -0.0000000 -0.5905392 -0.0000000 5.8620225 10 Ti 4.5634857 0.1746415 0.3639421 0.1157707 4.2341083 0.3008677 0.0590891 -0.6329398 5.5854747 11 Ti 4.5634857 0.1746415 0.3639421 0.1157707 4.2341083 0.3008677 0.0590891 -0.6329398 5.5854747 12 Ti 4.5634857 -0.1746415 -0.3639421 -0.1157707 4.2341083 0.3008677 -0.0590891 -0.6329398 5.5854747 13 Ti 5.8064588 0.0000000 0.7984128 0.0000000 3.2560565 -0.0000000 0.5905392 -0.0000000 5.8620225 14 Ti 4.5634857 0.1746415 -0.3639421 0.1157707 4.2341083 -0.3008677 -0.0590891 0.6329398 5.5854747 15 Ti 5.8064588 0.0000000 -0.7984128 0.0000000 3.2560565 -0.0000000 -0.5905392 -0.0000000 5.8620225 16 Ti 4.5634857 -0.1746415 0.3639421 -0.1157707 4.2341083 -0.3008677 0.0590891 0.6329398 5.5854747 17 Ti 4.5634857 0.1746415 -0.3639421 0.1157707 4.2341083 -0.3008677 -0.0590891 0.6329398 5.5854747 18 Ti 4.5634857 -0.1746415 0.3639421 -0.1157707 4.2341083 -0.3008677 0.0590891 0.6329398 5.5854747 19 Ti 5.8064588 0.0000000 0.7984128 0.0000000 3.2560565 -0.0000000 0.5905392 -0.0000000 5.8620225 20 Ti 4.5634857 -0.1746415 -0.3639421 -0.1157707 4.2341083 0.3008677 -0.0590891 -0.6329398 5.5854747 21 Cl -1.2367051 -0.1848298 -0.0210814 -0.1425152 -1.0744722 0.0206656 -0.0264210 0.0669965 -1.7687285 22 Cl -1.2367051 -0.1848298 0.0210814 -0.1425152 -1.0744722 -0.0206656 0.0264210 -0.0669965 -1.7687285 23 Cl -1.2367051 0.1848298 0.0210814 0.1425152 -1.0744722 0.0206656 0.0264210 0.0669965 -1.7687285 24 Cl -1.2367051 0.1848298 -0.0210814 0.1425152 -1.0744722 -0.0206656 -0.0264210 -0.0669965 -1.7687285 25 Cl -1.2367051 0.1848298 0.0210814 0.1425152 -1.0744722 0.0206656 0.0264210 0.0669965 -1.7687285 26 Cl -1.2367051 -0.1848298 0.0210814 -0.1425152 -1.0744722 -0.0206656 0.0264210 -0.0669965 -1.7687285 27 Cl -1.2367051 0.1848298 -0.0210814 0.1425152 -1.0744722 -0.0206656 -0.0264210 -0.0669965 -1.7687285 28 Cl -1.2367051 -0.1848298 -0.0210814 -0.1425152 -1.0744722 0.0206656 -0.0264210 0.0669965 -1.7687285 29 O -2.6728415 0.0913478 -0.8877942 0.1717182 -1.5456767 0.0608506 -1.0883346 0.1924203 -3.5762609 30 O -2.6728415 -0.0913478 0.8877942 -0.1717182 -1.5456767 0.0608506 1.0883346 0.1924203 -3.5762609 31 O -3.0648652 0.8407764 -1.5168983 0.6030800 -2.6061010 0.2389013 -1.5080371 0.1920524 -2.1812451 32 O -3.0648652 -0.8407764 1.5168983 -0.6030800 -2.6061010 0.2389013 1.5080371 0.1920524 -2.1812451 33 O -2.5226304 0.3150128 0.4303542 0.2174313 -2.0139472 0.4681158 0.4960499 0.7652992 -3.2822421 34 O -2.6728415 -0.0913478 -0.8877942 -0.1717182 -1.5456767 -0.0608506 -1.0883346 -0.1924203 -3.5762609 35 O -2.2500629 0.7775424 1.0109666 0.5705767 -3.3023493 -0.1867354 1.0492266 0.0996058 -1.8283150 36 O -3.0648652 -0.8407764 -1.5168983 -0.6030800 -2.6061010 -0.2389013 -1.5080371 -0.1920524 -2.1812451 37 O -2.2500629 -0.7775424 -1.0109666 -0.5705767 -3.3023493 -0.1867354 -1.0492266 0.0996058 -1.8283150 38 O -2.5226304 0.3150128 -0.4303542 0.2174313 -2.0139472 -0.4681158 -0.4960499 -0.7652992 -3.2822421 39 O -2.2500629 0.7775424 -1.0109666 0.5705767 -3.3023493 0.1867354 -1.0492266 -0.0996058 -1.8283150 40 O -2.2500629 0.7775424 1.0109666 0.5705767 -3.3023493 -0.1867354 1.0492266 0.0996058 -1.8283150 41 O -2.5226304 -0.3150128 0.4303542 -0.2174313 -2.0139472 -0.4681158 0.4960499 -0.7652992 -3.2822421 42 O -2.5226304 0.3150128 -0.4303542 0.2174313 -2.0139472 -0.4681158 -0.4960499 -0.7652992 -3.2822421 43 O -2.2500629 0.7775424 -1.0109666 0.5705767 -3.3023493 0.1867354 -1.0492266 -0.0996058 -1.8283150 44 O -2.6728415 0.0913478 0.8877942 0.1717182 -1.5456767 -0.0608506 1.0883346 -0.1924203 -3.5762609 45 O -2.6728415 -0.0913478 -0.8877942 -0.1717182 -1.5456767 -0.0608506 -1.0883346 -0.1924203 -3.5762609 46 O -2.6728415 0.0913478 -0.8877942 0.1717182 -1.5456767 0.0608506 -1.0883346 0.1924203 -3.5762609 47 O -3.0648652 0.8407764 1.5168983 0.6030800 -2.6061010 -0.2389013 1.5080371 -0.1920524 -2.1812451 48 O -2.5226304 -0.3150128 -0.4303542 -0.2174313 -2.0139472 0.4681158 -0.4960499 0.7652992 -3.2822421 49 O -2.5226304 -0.3150128 0.4303542 -0.2174313 -2.0139472 -0.4681158 0.4960499 -0.7652992 -3.2822421 50 O -2.6728415 0.0913478 0.8877942 0.1717182 -1.5456767 -0.0608506 1.0883346 -0.1924203 -3.5762609 51 O -2.2500629 -0.7775424 1.0109666 -0.5705767 -3.3023493 0.1867354 1.0492266 -0.0996058 -1.8283150 52 O -3.0648652 -0.8407764 -1.5168983 -0.6030800 -2.6061010 -0.2389013 -1.5080371 -0.1920524 -2.1812451 53 O -3.0648652 0.8407764 -1.5168983 0.6030800 -2.6061010 0.2389013 -1.5080371 0.1920524 -2.1812451 54 O -2.2500629 -0.7775424 -1.0109666 -0.5705767 -3.3023493 -0.1867354 -1.0492266 0.0996058 -1.8283150 55 O -2.5226304 0.3150128 0.4303542 0.2174313 -2.0139472 0.4681158 0.4960499 0.7652992 -3.2822421 56 O -2.6728415 -0.0913478 0.8877942 -0.1717182 -1.5456767 0.0608506 1.0883346 0.1924203 -3.5762609 57 O -2.2500629 -0.7775424 1.0109666 -0.5705767 -3.3023493 0.1867354 1.0492266 -0.0996058 -1.8283150 58 O -2.5226304 -0.3150128 -0.4303542 -0.2174313 -2.0139472 0.4681158 -0.4960499 0.7652992 -3.2822421 59 O -3.0648652 -0.8407764 1.5168983 -0.6030800 -2.6061010 0.2389013 1.5080371 0.1920524 -2.1812451 60 O -3.0648652 0.8407764 1.5168983 0.6030800 -2.6061010 -0.2389013 1.5080371 -0.1920524 -2.1812451 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (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 ... [ 3 4 10 ] 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: 0.44, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 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 1.573 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 9.481 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.887 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.675 ( 0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.716 ( 0.000 0.000 0.000) 0.000 12.057 ( 0.000 0.000 0.000) 0.000 12.146 ( 0.000 0.000 0.000) 0.000 12.197 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 0.000) 0.000 12.659 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 13.219 ( 0.000 0.000 0.000) 0.000 13.402 ( 0.000 0.000 0.000) 0.000 13.474 ( 0.000 0.000 0.000) 0.000 13.528 ( 0.000 0.000 0.000) 0.000 13.890 ( 0.000 0.000 0.000) 0.000 13.968 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 14.009 ( 0.000 0.000 0.000) 0.000 14.041 ( 0.000 0.000 0.000) 0.000 14.138 ( 0.000 0.000 0.000) 0.000 14.220 ( 0.000 0.000 0.000) 0.000 14.268 ( 0.000 0.000 0.000) 0.000 14.397 ( 0.000 0.000 0.000) 0.000 14.406 ( 0.000 0.000 0.000) 0.000 14.460 ( 0.000 0.000 0.000) 0.000 14.507 ( 0.000 0.000 0.000) 0.000 14.791 ( 0.000 0.000 0.000) 0.000 14.793 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 15.522 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.811 ( 0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 16.099 ( 0.000 0.000 0.000) 0.000 16.361 ( 0.000 0.000 0.000) 0.000 16.737 ( 0.000 0.000 0.000) 0.000 17.013 ( 0.000 0.000 0.000) 0.000 17.211 ( 0.000 0.000 0.000) 0.000 17.358 ( 0.000 0.000 0.000) 0.000 17.429 ( 0.000 0.000 0.000) 0.000 17.454 ( 0.000 0.000 0.000) 0.000 17.814 ( 0.000 0.000 0.000) 0.000 17.846 ( 0.000 0.000 0.000) 0.000 18.496 ( 0.000 0.000 0.000) 0.000 18.582 ( 0.000 0.000 0.000) 0.000 18.597 ( 0.000 0.000 0.000) 0.000 19.486 ( 0.000 0.000 0.000) 0.000 19.551 ( 0.000 0.000 0.000) 0.000 19.817 ( 0.000 0.000 0.000) 0.000 20.028 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000 21.806 ( 0.000 0.000 0.000) 0.000 21.996 ( 0.000 0.000 0.000) 0.000 22.001 ( 0.000 0.000 0.000) 0.000 22.016 ( 0.000 0.000 0.000) 0.000 22.124 ( 0.000 0.000 0.000) 0.000 22.167 ( 0.000 0.000 0.000) 0.000 22.307 ( 0.000 0.000 0.000) 0.000 22.411 ( 0.000 0.000 0.000) 0.000 23.007 ( 0.000 0.000 0.000) 0.000 23.186 ( 0.000 0.000 0.000) 0.000 23.754 ( 0.000 0.000 0.000) 0.000 23.876 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 28.581 0.000 0.000) 28.581 0.849 ( 35.435 0.000 0.000) 35.435 1.013 ( 41.206 0.000 0.000) 41.206 1.264 ( -22.343 0.000 0.000) 22.343 1.564 ( -26.732 0.000 0.000) 26.732 1.794 ( -26.702 0.000 0.000) 26.702 2.236 ( 10.850 0.000 0.000) 10.850 2.256 ( 4.540 0.000 0.000) 4.540 2.344 ( -1.249 0.000 0.000) 1.249 2.514 ( -6.690 0.000 0.000) 6.690 2.660 ( -1.107 0.000 0.000) 1.107 2.662 ( 11.816 0.000 0.000) 11.816 2.763 ( -4.304 0.000 0.000) 4.304 2.865 ( 6.833 0.000 0.000) 6.833 2.897 ( 11.731 0.000 0.000) 11.731 2.927 ( -8.672 0.000 0.000) 8.672 3.030 ( -5.557 0.000 0.000) 5.557 3.097 ( -4.323 0.000 0.000) 4.323 3.176 ( -0.014 0.000 0.000) 0.014 3.206 ( -2.849 0.000 0.000) 2.849 3.420 ( 4.345 0.000 0.000) 4.345 3.518 ( -3.615 0.000 0.000) 3.615 3.620 ( 4.175 0.000 0.000) 4.175 3.709 ( -3.864 0.000 0.000) 3.864 3.830 ( 0.101 0.000 0.000) 0.101 3.837 ( -0.569 0.000 0.000) 0.569 3.883 ( 1.331 0.000 0.000) 1.331 3.948 ( -4.148 0.000 0.000) 4.148 3.975 ( 6.055 0.000 0.000) 6.055 4.116 ( -6.878 0.000 0.000) 6.878 4.128 ( 3.584 0.000 0.000) 3.584 4.197 ( -3.105 0.000 0.000) 3.105 4.319 ( 3.667 0.000 0.000) 3.667 4.371 ( 0.610 0.000 0.000) 0.610 4.441 ( -6.455 0.000 0.000) 6.455 4.457 ( -5.683 0.000 0.000) 5.683 4.632 ( 1.951 0.000 0.000) 1.951 4.662 ( 0.179 0.000 0.000) 0.179 4.820 ( 9.575 0.000 0.000) 9.575 4.863 ( 0.289 0.000 0.000) 0.289 4.910 ( -3.419 0.000 0.000) 3.419 5.002 ( -5.376 0.000 0.000) 5.376 5.072 ( 2.320 0.000 0.000) 2.320 5.185 ( -6.439 0.000 0.000) 6.439 5.261 ( 6.267 0.000 0.000) 6.267 5.265 ( -0.098 0.000 0.000) 0.098 5.269 ( -0.415 0.000 0.000) 0.415 5.375 ( -3.881 0.000 0.000) 3.881 5.413 ( 2.078 0.000 0.000) 2.078 5.426 ( 0.312 0.000 0.000) 0.312 5.438 ( 12.136 0.000 0.000) 12.136 5.549 ( 6.092 0.000 0.000) 6.092 5.612 ( 1.733 0.000 0.000) 1.733 5.654 ( -4.414 0.000 0.000) 4.414 5.920 ( 0.846 0.000 0.000) 0.846 6.009 ( -5.019 0.000 0.000) 5.019 6.131 ( 0.011 0.000 0.000) 0.011 6.138 ( -0.538 0.000 0.000) 0.538 6.288 ( 4.344 0.000 0.000) 4.344 6.340 ( -0.637 0.000 0.000) 0.637 6.374 ( 3.231 0.000 0.000) 3.231 6.379 ( 4.141 0.000 0.000) 4.141 6.408 ( -0.701 0.000 0.000) 0.701 6.409 ( 0.050 0.000 0.000) 0.050 6.473 ( -3.002 0.000 0.000) 3.002 6.506 ( -6.142 0.000 0.000) 6.142 6.651 ( 4.966 0.000 0.000) 4.966 6.678 ( -1.684 0.000 0.000) 1.684 6.731 ( -6.462 0.000 0.000) 6.462 6.768 ( -3.224 0.000 0.000) 3.224 6.875 ( -0.658 0.000 0.000) 0.658 6.900 ( -1.437 0.000 0.000) 1.437 6.988 ( 0.489 0.000 0.000) 0.489 6.989 ( -0.849 0.000 0.000) 0.849 7.153 ( 4.240 0.000 0.000) 4.240 7.199 ( 7.613 0.000 0.000) 7.613 7.221 ( -1.269 0.000 0.000) 1.269 7.310 ( -1.423 0.000 0.000) 1.423 7.337 ( 1.156 0.000 0.000) 1.156 7.351 ( 0.140 0.000 0.000) 0.140 7.484 ( 2.379 0.000 0.000) 2.379 7.644 ( -10.598 0.000 0.000) 10.598 7.850 ( -1.427 0.000 0.000) 1.427 7.884 ( -6.044 0.000 0.000) 6.044 7.937 ( 3.234 0.000 0.000) 3.234 7.986 ( -0.526 0.000 0.000) 0.526 8.189 ( 1.210 0.000 0.000) 1.210 8.211 ( 0.572 0.000 0.000) 0.572 8.245 ( 8.760 0.000 0.000) 8.760 8.414 ( -5.389 0.000 0.000) 5.389 8.492 ( 0.618 0.000 0.000) 0.618 8.508 ( -0.461 0.000 0.000) 0.461 8.624 ( 3.917 0.000 0.000) 3.917 8.708 ( -2.042 0.000 0.000) 2.042 8.746 ( 1.555 0.000 0.000) 1.555 8.759 ( -0.159 0.000 0.000) 0.159 9.175 ( 1.753 0.000 0.000) 1.753 9.213 ( -1.268 0.000 0.000) 1.268 9.476 ( 2.547 0.000 0.000) 2.547 9.510 ( 2.328 0.000 0.000) 2.328 9.552 ( -3.463 0.000 0.000) 3.463 9.570 ( -2.681 0.000 0.000) 2.681 9.678 ( 2.442 0.000 0.000) 2.442 9.728 ( -1.557 0.000 0.000) 1.557 9.877 ( -0.331 0.000 0.000) 0.331 9.883 ( -0.631 0.000 0.000) 0.631 10.645 ( 0.173 0.000 0.000) 0.173 10.649 ( 3.650 0.000 0.000) 3.650 10.661 ( -1.020 0.000 0.000) 1.020 10.746 ( -4.047 0.000 0.000) 4.047 10.955 ( 2.216 0.000 0.000) 2.216 11.008 ( -2.155 0.000 0.000) 2.155 11.099 ( 3.037 0.000 0.000) 3.037 11.173 ( -2.871 0.000 0.000) 2.871 11.560 ( 2.671 0.000 0.000) 2.671 11.632 ( -3.016 0.000 0.000) 3.016 11.655 ( 2.837 0.000 0.000) 2.837 11.705 ( -1.285 0.000 0.000) 1.285 11.724 ( 7.846 0.000 0.000) 7.846 11.931 ( -9.146 0.000 0.000) 9.146 12.155 ( 0.799 0.000 0.000) 0.799 12.180 ( -1.188 0.000 0.000) 1.188 12.398 ( 0.709 0.000 0.000) 0.709 12.398 ( 0.713 0.000 0.000) 0.713 12.679 ( 1.552 0.000 0.000) 1.552 12.718 ( -1.610 0.000 0.000) 1.610 13.270 ( 4.079 0.000 0.000) 4.079 13.365 ( -3.329 0.000 0.000) 3.329 13.530 ( 4.040 0.000 0.000) 4.040 13.614 ( -2.796 0.000 0.000) 2.796 13.868 ( -0.720 0.000 0.000) 0.720 13.896 ( -3.038 0.000 0.000) 3.038 14.016 ( 0.644 0.000 0.000) 0.644 14.016 ( 0.378 0.000 0.000) 0.378 14.065 ( 1.950 0.000 0.000) 1.950 14.114 ( -1.950 0.000 0.000) 1.950 14.250 ( 1.625 0.000 0.000) 1.625 14.267 ( -0.126 0.000 0.000) 0.126 14.431 ( 2.759 0.000 0.000) 2.759 14.467 ( 0.642 0.000 0.000) 0.642 14.489 ( -1.169 0.000 0.000) 1.169 14.551 ( -7.898 0.000 0.000) 7.898 14.697 ( 4.006 0.000 0.000) 4.006 14.795 ( -3.992 0.000 0.000) 3.992 15.122 ( 14.542 0.000 0.000) 14.542 15.404 ( -9.617 0.000 0.000) 9.617 15.883 ( 6.045 0.000 0.000) 6.045 15.947 ( 9.499 0.000 0.000) 9.499 16.037 ( -5.777 0.000 0.000) 5.777 16.198 ( -11.170 0.000 0.000) 11.170 16.796 ( 6.770 0.000 0.000) 6.770 16.941 ( -5.481 0.000 0.000) 5.481 17.206 ( 1.992 0.000 0.000) 1.992 17.298 ( -4.630 0.000 0.000) 4.630 17.553 ( 7.581 0.000 0.000) 7.581 17.555 ( 8.250 0.000 0.000) 8.250 17.732 ( -6.561 0.000 0.000) 6.561 17.743 ( -7.905 0.000 0.000) 7.905 18.485 ( -0.633 0.000 0.000) 0.633 18.490 ( -1.741 0.000 0.000) 1.741 18.806 ( 11.589 0.000 0.000) 11.589 19.113 ( -15.643 0.000 0.000) 15.643 19.504 ( 9.418 0.000 0.000) 9.418 19.720 ( -8.017 0.000 0.000) 8.017 19.969 ( 18.954 0.000 0.000) 18.954 20.339 ( -12.944 0.000 0.000) 12.944 21.415 ( 9.689 0.000 0.000) 9.689 21.653 ( -10.201 0.000 0.000) 10.201 22.022 ( 1.462 0.000 0.000) 1.462 22.029 ( 0.872 0.000 0.000) 0.872 22.077 ( 4.171 0.000 0.000) 4.171 22.102 ( -1.318 0.000 0.000) 1.318 22.107 ( -1.621 0.000 0.000) 1.621 22.146 ( -1.913 0.000 0.000) 1.913 22.334 ( 2.130 0.000 0.000) 2.130 22.386 ( -2.042 0.000 0.000) 2.042 23.058 ( 3.891 0.000 0.000) 3.891 23.149 ( -3.463 0.000 0.000) 3.463 23.785 ( 2.433 0.000 0.000) 2.433 23.846 ( -2.444 0.000 0.000) 2.444 ======================= Grid point 3 (3/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.000 29.525 0.000) 29.525 0.632 ( 0.000 29.524 0.000) 29.524 1.112 ( 0.000 50.285 0.000) 50.285 1.699 ( 0.000 1.194 0.000) 1.194 1.817 ( 0.000 -20.779 0.000) 20.779 1.956 ( 0.000 -5.872 0.000) 5.872 2.002 ( 0.000 3.599 0.000) 3.599 2.190 ( 0.000 -5.986 0.000) 5.986 2.231 ( 0.000 3.435 0.000) 3.435 2.451 ( 0.000 -2.734 0.000) 2.734 2.576 ( 0.000 -9.560 0.000) 9.560 2.684 ( 0.000 9.510 0.000) 9.510 2.744 ( 0.000 -6.522 0.000) 6.522 2.875 ( 0.000 4.328 0.000) 4.328 2.912 ( 0.000 6.474 0.000) 6.474 3.027 ( 0.000 0.680 0.000) 0.680 3.066 ( 0.000 -5.167 0.000) 5.167 3.074 ( 0.000 -3.559 0.000) 3.559 3.116 ( 0.000 -5.515 0.000) 5.515 3.274 ( 0.000 -6.520 0.000) 6.520 3.303 ( 0.000 3.556 0.000) 3.556 3.432 ( 0.000 -5.893 0.000) 5.893 3.436 ( 0.000 -11.601 0.000) 11.601 3.472 ( 0.000 -9.690 0.000) 9.690 3.619 ( 0.000 -25.849 0.000) 25.849 3.641 ( 0.000 -8.600 0.000) 8.600 3.924 ( 0.000 3.929 0.000) 3.929 3.938 ( 0.000 2.096 0.000) 2.096 4.099 ( 0.000 2.544 0.000) 2.544 4.129 ( 0.000 7.687 0.000) 7.687 4.166 ( 0.000 -1.147 0.000) 1.147 4.252 ( 0.000 2.130 0.000) 2.130 4.278 ( 0.000 -1.571 0.000) 1.571 4.373 ( 0.000 -0.685 0.000) 0.685 4.423 ( 0.000 -4.469 0.000) 4.469 4.451 ( 0.000 9.498 0.000) 9.498 4.453 ( 0.000 -6.306 0.000) 6.306 4.655 ( 0.000 4.608 0.000) 4.608 4.708 ( 0.000 1.752 0.000) 1.752 4.904 ( 0.000 -5.695 0.000) 5.695 5.013 ( 0.000 1.513 0.000) 1.513 5.057 ( 0.000 -0.693 0.000) 0.693 5.074 ( 0.000 -1.277 0.000) 1.277 5.207 ( 0.000 -3.536 0.000) 3.536 5.271 ( 0.000 2.343 0.000) 2.343 5.294 ( 0.000 0.961 0.000) 0.961 5.305 ( 0.000 1.380 0.000) 1.380 5.378 ( 0.000 1.858 0.000) 1.858 5.391 ( 0.000 -2.356 0.000) 2.356 5.433 ( 0.000 -0.243 0.000) 0.243 5.506 ( 0.000 6.639 0.000) 6.639 5.529 ( 0.000 22.164 0.000) 22.164 5.699 ( 0.000 8.893 0.000) 8.893 5.855 ( 0.000 -5.788 0.000) 5.788 5.955 ( 0.000 -2.290 0.000) 2.290 6.035 ( 0.000 -2.229 0.000) 2.229 6.079 ( 0.000 1.551 0.000) 1.551 6.186 ( 0.000 2.942 0.000) 2.942 6.198 ( 0.000 -2.285 0.000) 2.285 6.346 ( 0.000 -1.289 0.000) 1.289 6.361 ( 0.000 3.046 0.000) 3.046 6.394 ( 0.000 5.197 0.000) 5.197 6.422 ( 0.000 0.712 0.000) 0.712 6.431 ( 0.000 1.137 0.000) 1.137 6.446 ( 0.000 3.708 0.000) 3.708 6.571 ( 0.000 -3.458 0.000) 3.458 6.617 ( 0.000 -1.480 0.000) 1.480 6.647 ( 0.000 1.398 0.000) 1.398 6.724 ( 0.000 -5.200 0.000) 5.200 6.834 ( 0.000 0.859 0.000) 0.859 6.839 ( 0.000 -6.992 0.000) 6.992 6.906 ( 0.000 -0.934 0.000) 0.934 7.024 ( 0.000 4.312 0.000) 4.312 7.059 ( 0.000 0.947 0.000) 0.947 7.133 ( 0.000 4.003 0.000) 4.003 7.197 ( 0.000 -1.207 0.000) 1.207 7.236 ( 0.000 -3.227 0.000) 3.227 7.290 ( 0.000 -2.278 0.000) 2.278 7.377 ( 0.000 3.144 0.000) 3.144 7.383 ( 0.000 2.135 0.000) 2.135 7.536 ( 0.000 4.793 0.000) 4.793 7.838 ( 0.000 -6.285 0.000) 6.285 7.864 ( 0.000 0.009 0.000) 0.009 7.895 ( 0.000 -0.569 0.000) 0.569 7.915 ( 0.000 1.706 0.000) 1.706 8.017 ( 0.000 -3.084 0.000) 3.084 8.131 ( 0.000 1.834 0.000) 1.834 8.183 ( 0.000 0.360 0.000) 0.360 8.223 ( 0.000 5.324 0.000) 5.324 8.441 ( 0.000 -3.849 0.000) 3.849 8.446 ( 0.000 -1.790 0.000) 1.790 8.460 ( 0.000 -0.644 0.000) 0.644 8.603 ( 0.000 2.431 0.000) 2.431 8.646 ( 0.000 0.688 0.000) 0.688 8.705 ( 0.000 -0.710 0.000) 0.710 8.742 ( 0.000 -2.713 0.000) 2.713 9.103 ( 0.000 2.338 0.000) 2.338 9.209 ( 0.000 -1.645 0.000) 1.645 9.444 ( 0.000 -0.050 0.000) 0.050 9.487 ( 0.000 -0.312 0.000) 0.312 9.593 ( 0.000 0.659 0.000) 0.659 9.656 ( 0.000 1.863 0.000) 1.863 9.682 ( 0.000 -1.336 0.000) 1.336 9.733 ( 0.000 -0.977 0.000) 0.977 9.918 ( 0.000 2.505 0.000) 2.505 10.045 ( 0.000 -2.404 0.000) 2.404 10.626 ( 0.000 1.814 0.000) 1.814 10.652 ( 0.000 0.493 0.000) 0.493 10.674 ( 0.000 -0.201 0.000) 0.201 10.751 ( 0.000 -3.285 0.000) 3.285 10.898 ( 0.000 1.076 0.000) 1.076 10.935 ( 0.000 0.171 0.000) 0.171 11.091 ( 0.000 2.562 0.000) 2.562 11.190 ( 0.000 -1.087 0.000) 1.087 11.549 ( 0.000 1.519 0.000) 1.519 11.623 ( 0.000 0.924 0.000) 0.924 11.639 ( 0.000 0.751 0.000) 0.751 11.648 ( 0.000 -2.035 0.000) 2.035 11.741 ( 0.000 2.504 0.000) 2.504 11.982 ( 0.000 -6.060 0.000) 6.060 12.153 ( 0.000 0.567 0.000) 0.567 12.186 ( 0.000 -0.744 0.000) 0.744 12.380 ( 0.000 0.260 0.000) 0.260 12.388 ( 0.000 -0.004 0.000) 0.004 12.665 ( 0.000 0.560 0.000) 0.560 12.721 ( 0.000 -1.454 0.000) 1.454 13.338 ( 0.000 9.877 0.000) 9.877 13.403 ( 0.000 0.588 0.000) 0.588 13.460 ( 0.000 -1.210 0.000) 1.210 13.587 ( 0.000 4.793 0.000) 4.793 13.834 ( 0.000 -8.642 0.000) 8.642 13.880 ( 0.000 -7.029 0.000) 7.029 14.015 ( 0.000 3.802 0.000) 3.802 14.023 ( 0.000 1.027 0.000) 1.027 14.046 ( 0.000 0.102 0.000) 0.102 14.128 ( 0.000 -0.544 0.000) 0.544 14.313 ( 0.000 6.330 0.000) 6.330 14.339 ( 0.000 1.780 0.000) 1.780 14.396 ( 0.000 -0.986 0.000) 0.986 14.439 ( 0.000 2.717 0.000) 2.717 14.456 ( 0.000 -0.247 0.000) 0.247 14.481 ( 0.000 -1.779 0.000) 1.779 14.799 ( 0.000 1.951 0.000) 1.951 14.846 ( 0.000 0.025 0.000) 0.025 14.876 ( 0.000 -0.867 0.000) 0.867 15.306 ( 0.000 -15.856 0.000) 15.856 15.663 ( 0.000 4.927 0.000) 4.927 15.853 ( 0.000 -0.439 0.000) 0.439 16.120 ( 0.000 1.758 0.000) 1.758 16.225 ( 0.000 -3.346 0.000) 3.346 16.548 ( 0.000 11.663 0.000) 11.663 16.760 ( 0.000 2.193 0.000) 2.193 16.946 ( 0.000 -5.151 0.000) 5.151 17.080 ( 0.000 -9.921 0.000) 9.921 17.372 ( 0.000 1.176 0.000) 1.176 17.426 ( 0.000 -0.506 0.000) 0.506 17.545 ( 0.000 6.147 0.000) 6.147 17.789 ( 0.000 -4.041 0.000) 4.041 18.154 ( 0.000 16.738 0.000) 16.738 18.532 ( 0.000 2.713 0.000) 2.713 18.597 ( 0.000 -0.162 0.000) 0.162 19.358 ( 0.000 -24.020 0.000) 24.020 19.452 ( 0.000 1.043 0.000) 1.043 19.537 ( 0.000 -7.849 0.000) 7.849 19.592 ( 0.000 4.120 0.000) 4.120 19.933 ( 0.000 -7.868 0.000) 7.868 21.371 ( 0.000 7.245 0.000) 7.245 21.785 ( 0.000 -10.030 0.000) 10.030 21.909 ( 0.000 5.671 0.000) 5.671 22.008 ( 0.000 -0.714 0.000) 0.714 22.135 ( 0.000 0.908 0.000) 0.908 22.155 ( 0.000 0.100 0.000) 0.100 22.181 ( 0.000 6.800 0.000) 6.800 22.307 ( 0.000 -0.185 0.000) 0.185 22.536 ( 0.000 11.381 0.000) 11.381 23.040 ( 0.000 2.755 0.000) 2.755 23.106 ( 0.000 -8.817 0.000) 8.817 23.166 ( 0.000 -1.866 0.000) 1.866 23.757 ( 0.000 0.416 0.000) 0.416 23.839 ( 0.000 -2.843 0.000) 2.843 ======================= Grid point 4 (4/36) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 21.725 17.432 0.000) 27.854 1.025 ( 26.898 16.554 0.000) 31.584 1.402 ( 16.122 29.882 0.000) 33.954 1.477 ( -22.753 11.755 0.000) 25.610 1.663 ( -19.115 8.851 0.000) 21.064 1.715 ( -5.517 -3.435 0.000) 6.499 2.007 ( 11.016 -16.917 0.000) 20.188 2.236 ( 3.134 -2.824 0.000) 4.219 2.282 ( -11.009 -9.309 0.000) 14.417 2.475 ( -15.821 -2.265 0.000) 15.982 2.536 ( 14.458 -2.859 0.000) 14.738 2.705 ( 0.711 -7.456 0.000) 7.490 2.777 ( 4.032 5.350 0.000) 6.700 2.827 ( 3.251 2.751 0.000) 4.259 2.958 ( -0.946 2.515 0.000) 2.687 3.026 ( 1.959 4.068 0.000) 4.515 3.048 ( -4.555 -3.733 0.000) 5.889 3.058 ( -0.443 -3.025 0.000) 3.058 3.131 ( 1.312 -2.697 0.000) 3.000 3.210 ( -4.209 2.357 0.000) 4.824 3.363 ( 3.563 -4.714 0.000) 5.909 3.420 ( -1.931 -10.107 0.000) 10.290 3.472 ( 2.247 -6.539 0.000) 6.915 3.503 ( 0.844 -9.414 0.000) 9.452 3.587 ( -0.952 -23.213 0.000) 23.233 3.608 ( -2.027 -13.528 0.000) 13.679 3.930 ( 0.112 3.842 0.000) 3.843 3.934 ( -0.749 4.422 0.000) 4.485 4.015 ( 0.361 0.016 0.000) 0.361 4.102 ( -7.075 -2.143 0.000) 7.393 4.131 ( 1.893 0.592 0.000) 1.984 4.164 ( -1.267 -1.365 0.000) 1.862 4.366 ( 1.364 -0.061 0.000) 1.365 4.412 ( -1.396 -2.002 0.000) 2.440 4.461 ( 3.166 8.782 0.000) 9.336 4.529 ( -2.134 5.108 0.000) 5.536 4.569 ( 9.215 -0.535 0.000) 9.230 4.703 ( -0.224 -0.201 0.000) 0.301 4.722 ( 7.609 -2.714 0.000) 8.078 4.853 ( -2.909 -4.527 0.000) 5.381 4.917 ( -5.294 1.344 0.000) 5.462 4.970 ( -6.685 -0.360 0.000) 6.694 5.188 ( 6.157 -2.575 0.000) 6.674 5.228 ( -0.101 -1.022 0.000) 1.027 5.251 ( 1.155 1.653 0.000) 2.016 5.277 ( -1.442 1.465 0.000) 2.055 5.288 ( -2.802 3.538 0.000) 4.513 5.365 ( -4.134 -2.028 0.000) 4.604 5.417 ( 7.807 3.457 0.000) 8.538 5.471 ( -0.106 3.901 0.000) 3.903 5.479 ( -0.633 6.178 0.000) 6.210 5.548 ( 7.949 -0.046 0.000) 7.949 5.649 ( -12.930 1.460 0.000) 13.012 5.735 ( -6.572 0.937 0.000) 6.638 5.950 ( 9.335 5.186 0.000) 10.679 6.019 ( 3.294 1.976 0.000) 3.841 6.179 ( -0.736 3.384 0.000) 3.463 6.188 ( -1.788 2.188 0.000) 2.826 6.267 ( 5.085 -1.880 0.000) 5.421 6.333 ( -1.136 -0.907 0.000) 1.454 6.360 ( -0.750 0.294 0.000) 0.805 6.385 ( -0.292 -1.106 0.000) 1.144 6.416 ( -1.129 0.998 0.000) 1.507 6.444 ( -4.516 -0.623 0.000) 4.559 6.484 ( 8.005 5.906 0.000) 9.948 6.559 ( 1.057 -3.591 0.000) 3.743 6.631 ( -4.737 -3.780 0.000) 6.061 6.638 ( -2.846 5.387 0.000) 6.093 6.733 ( 7.134 2.087 0.000) 7.433 6.854 ( 0.890 2.736 0.000) 2.877 6.910 ( -0.215 0.198 0.000) 0.293 6.924 ( -1.962 1.727 0.000) 2.614 6.960 ( 1.204 -0.248 0.000) 1.230 7.053 ( -4.910 3.004 0.000) 5.756 7.146 ( 2.362 -1.366 0.000) 2.729 7.159 ( 1.375 0.263 0.000) 1.400 7.220 ( 1.093 -0.837 0.000) 1.377 7.276 ( -2.343 -2.816 0.000) 3.663 7.358 ( -0.224 0.936 0.000) 0.963 7.368 ( -0.920 1.820 0.000) 2.040 7.519 ( 0.298 1.817 0.000) 1.841 7.606 ( -8.366 -2.852 0.000) 8.839 7.890 ( -0.165 3.194 0.000) 3.198 7.919 ( -3.235 1.765 0.000) 3.685 7.957 ( 4.891 2.178 0.000) 5.354 8.059 ( -3.472 4.775 0.000) 5.904 8.133 ( 3.862 -4.207 0.000) 5.711 8.170 ( -0.838 -1.809 0.000) 1.994 8.318 ( 4.390 3.642 0.000) 5.703 8.385 ( -1.826 -0.928 0.000) 2.049 8.514 ( 1.660 0.255 0.000) 1.679 8.517 ( 1.653 0.839 0.000) 1.854 8.628 ( 3.045 0.737 0.000) 3.133 8.695 ( -1.817 -0.949 0.000) 2.050 8.716 ( 2.434 -2.145 0.000) 3.245 8.731 ( 0.002 -2.394 0.000) 2.394 9.148 ( 2.611 -0.957 0.000) 2.781 9.192 ( -1.321 -1.641 0.000) 2.106 9.431 ( 0.365 -2.485 0.000) 2.511 9.469 ( -1.967 -3.340 0.000) 3.876 9.563 ( -0.920 1.460 0.000) 1.726 9.589 ( -3.360 0.992 0.000) 3.504 9.720 ( 2.636 2.382 0.000) 3.553 9.751 ( 0.496 1.166 0.000) 1.267 9.885 ( -1.786 0.763 0.000) 1.942 9.902 ( -3.984 0.964 0.000) 4.099 10.604 ( -0.833 -1.530 0.000) 1.742 10.610 ( -1.619 -1.837 0.000) 2.449 10.731 ( 3.694 3.537 0.000) 5.114 10.786 ( 0.065 1.983 0.000) 1.985 10.945 ( 1.088 -0.818 0.000) 1.361 10.963 ( 0.629 -2.616 0.000) 2.691 11.102 ( 1.402 0.488 0.000) 1.485 11.155 ( -2.640 -1.270 0.000) 2.930 11.575 ( 2.130 1.197 0.000) 2.443 11.627 ( -1.943 -0.666 0.000) 2.054 11.657 ( 2.313 0.219 0.000) 2.323 11.684 ( 1.294 -0.994 0.000) 1.632 11.760 ( 3.490 2.434 0.000) 4.255 11.898 ( -6.484 -2.835 0.000) 7.077 12.158 ( 0.523 0.284 0.000) 0.595 12.175 ( -0.823 -0.356 0.000) 0.896 12.385 ( 0.310 -0.834 0.000) 0.890 12.389 ( -0.008 -0.694 0.000) 0.694 12.689 ( 1.774 0.871 0.000) 1.977 12.725 ( -0.922 0.098 0.000) 0.927 13.336 ( 1.128 4.453 0.000) 4.594 13.387 ( -2.333 0.460 0.000) 2.378 13.530 ( 4.167 1.237 0.000) 4.347 13.596 ( -1.165 1.288 0.000) 1.737 13.820 ( 0.177 -5.577 0.000) 5.579 13.851 ( -2.023 -5.218 0.000) 5.596 14.022 ( 0.548 2.038 0.000) 2.110 14.031 ( -0.089 1.539 0.000) 1.542 14.061 ( 1.260 0.174 0.000) 1.272 14.095 ( -1.572 -0.511 0.000) 1.653 14.311 ( -0.495 2.665 0.000) 2.711 14.313 ( -0.277 3.874 0.000) 3.884 14.409 ( 1.127 -1.409 0.000) 1.804 14.445 ( -2.069 -2.402 0.000) 3.170 14.488 ( 3.085 1.548 0.000) 3.452 14.587 ( -2.018 0.938 0.000) 2.225 14.623 ( 3.431 -3.435 0.000) 4.855 14.770 ( -5.754 -2.464 0.000) 6.260 15.092 ( 9.671 -1.875 0.000) 9.851 15.266 ( -4.636 -10.299 0.000) 11.294 15.797 ( 5.150 -5.389 0.000) 7.454 15.867 ( 0.106 -5.438 0.000) 5.439 16.095 ( -0.187 3.401 0.000) 3.406 16.186 ( -6.159 -0.910 0.000) 6.226 16.799 ( 5.144 0.500 0.000) 5.168 16.897 ( -3.280 -3.291 0.000) 4.647 17.158 ( 4.381 -4.917 0.000) 6.585 17.188 ( 7.552 -12.279 0.000) 14.416 17.435 ( 2.464 -3.291 0.000) 4.111 17.454 ( 5.877 -8.589 0.000) 10.407 17.681 ( 9.253 5.548 0.000) 10.788 17.840 ( 0.250 2.377 0.000) 2.390 18.198 ( 13.919 -5.584 0.000) 14.997 18.481 ( -5.581 -1.697 0.000) 5.833 18.704 ( 8.830 0.578 0.000) 8.849 19.020 ( -17.718 -10.340 0.000) 20.514 19.376 ( -0.956 -3.000 0.000) 3.149 19.445 ( -5.015 -12.648 0.000) 13.606 19.951 ( 15.885 -2.133 0.000) 16.028 20.107 ( 4.580 -10.030 0.000) 11.027 21.344 ( 1.641 3.387 0.000) 3.764 21.540 ( -13.397 -4.511 0.000) 14.136 22.033 ( 1.866 -0.088 0.000) 1.868 22.044 ( 5.658 -0.153 0.000) 5.660 22.088 ( -2.853 1.168 0.000) 3.082 22.142 ( -1.166 0.093 0.000) 1.170 22.153 ( -1.131 1.928 0.000) 2.235 22.182 ( -6.460 -0.094 0.000) 6.460 22.658 ( 8.175 17.174 0.000) 19.020 22.863 ( -10.744 14.807 0.000) 18.294 23.085 ( 3.469 2.640 0.000) 4.360 23.162 ( -2.547 1.606 0.000) 3.011 23.777 ( 1.598 -0.477 0.000) 1.667 23.818 ( -1.692 -2.087 0.000) 2.686 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 -9.296 0.000) 9.296 1.247 ( 0.000 9.296 0.000) 9.296 1.284 ( 0.000 -8.335 0.000) 8.335 1.284 ( 0.000 8.335 0.000) 8.335 2.079 ( 0.000 -5.555 0.000) 5.555 2.079 ( 0.000 5.555 0.000) 5.555 2.122 ( 0.000 -35.081 0.000) 35.081 2.122 ( 0.000 35.081 0.000) 35.081 2.251 ( 0.000 -19.223 0.000) 19.223 2.251 ( 0.000 19.223 0.000) 19.223 2.398 ( 0.000 -13.940 0.000) 13.940 2.398 ( 0.000 13.940 0.000) 13.940 2.877 ( 0.000 -7.645 0.000) 7.645 2.877 ( 0.000 7.645 0.000) 7.645 2.969 ( 0.000 -3.008 0.000) 3.008 2.969 ( 0.000 3.008 0.000) 3.008 3.014 ( 0.000 -0.407 0.000) 0.407 3.014 ( 0.000 0.407 0.000) 0.407 3.140 ( 0.000 -5.575 0.000) 5.575 3.140 ( 0.000 5.575 0.000) 5.575 3.286 ( 0.000 -2.690 0.000) 2.690 3.286 ( 0.000 2.690 0.000) 2.690 3.339 ( 0.000 -1.970 0.000) 1.970 3.339 ( 0.000 1.970 0.000) 1.970 3.486 ( 0.000 -6.228 0.000) 6.228 3.486 ( 0.000 6.228 0.000) 6.228 3.956 ( 0.000 -0.157 0.000) 0.157 3.956 ( 0.000 0.157 0.000) 0.157 4.141 ( 0.000 -1.290 0.000) 1.290 4.141 ( 0.000 1.290 0.000) 1.290 4.238 ( 0.000 -2.718 0.000) 2.718 4.238 ( 0.000 2.718 0.000) 2.718 4.335 ( 0.000 -4.710 0.000) 4.710 4.335 ( 0.000 4.710 0.000) 4.710 4.371 ( 0.000 -0.884 0.000) 0.884 4.371 ( 0.000 0.884 0.000) 0.884 4.642 ( 0.000 -7.046 0.000) 7.046 4.642 ( 0.000 7.046 0.000) 7.046 4.773 ( 0.000 -5.962 0.000) 5.962 4.773 ( 0.000 5.962 0.000) 5.962 5.040 ( 0.000 -0.923 0.000) 0.923 5.040 ( 0.000 0.923 0.000) 0.923 5.116 ( 0.000 -4.183 0.000) 4.183 5.116 ( 0.000 4.183 0.000) 4.183 5.310 ( 0.000 -1.049 0.000) 1.049 5.310 ( 0.000 1.049 0.000) 1.049 5.333 ( 0.000 -2.522 0.000) 2.522 5.333 ( 0.000 2.522 0.000) 2.522 5.416 ( 0.000 -1.355 0.000) 1.355 5.416 ( 0.000 1.355 0.000) 1.355 5.670 ( 0.000 -7.451 0.000) 7.451 5.670 ( 0.000 7.451 0.000) 7.451 5.865 ( 0.000 -5.873 0.000) 5.873 5.865 ( 0.000 5.873 0.000) 5.873 5.921 ( 0.000 -9.493 0.000) 9.493 5.921 ( 0.000 9.493 0.000) 9.493 6.136 ( 0.000 -3.110 0.000) 3.110 6.136 ( 0.000 3.110 0.000) 3.110 6.272 ( 0.000 -4.695 0.000) 4.695 6.272 ( 0.000 4.695 0.000) 4.695 6.442 ( 0.000 -0.453 0.000) 0.453 6.442 ( 0.000 0.453 0.000) 0.453 6.450 ( 0.000 -4.346 0.000) 4.346 6.450 ( 0.000 4.346 0.000) 4.346 6.502 ( 0.000 -3.215 0.000) 3.215 6.502 ( 0.000 3.215 0.000) 3.215 6.621 ( 0.000 -3.243 0.000) 3.243 6.621 ( 0.000 3.243 0.000) 3.243 6.707 ( 0.000 -4.483 0.000) 4.483 6.707 ( 0.000 4.483 0.000) 4.483 6.870 ( 0.000 -2.021 0.000) 2.021 6.870 ( 0.000 2.021 0.000) 2.021 7.072 ( 0.000 -0.288 0.000) 0.288 7.072 ( 0.000 0.288 0.000) 0.288 7.186 ( 0.000 -1.290 0.000) 1.290 7.186 ( 0.000 1.290 0.000) 1.290 7.224 ( 0.000 -3.367 0.000) 3.367 7.224 ( 0.000 3.367 0.000) 3.367 7.411 ( 0.000 -0.146 0.000) 0.146 7.411 ( 0.000 0.146 0.000) 0.146 7.679 ( 0.000 -7.652 0.000) 7.652 7.679 ( 0.000 7.652 0.000) 7.652 7.878 ( 0.000 -0.958 0.000) 0.958 7.878 ( 0.000 0.958 0.000) 0.958 7.958 ( 0.000 -2.323 0.000) 2.323 7.958 ( 0.000 2.323 0.000) 2.323 8.170 ( 0.000 -1.563 0.000) 1.563 8.170 ( 0.000 1.563 0.000) 1.563 8.339 ( 0.000 -5.184 0.000) 5.184 8.339 ( 0.000 5.184 0.000) 5.184 8.437 ( 0.000 -0.975 0.000) 0.975 8.437 ( 0.000 0.975 0.000) 0.975 8.671 ( 0.000 -3.463 0.000) 3.463 8.671 ( 0.000 3.463 0.000) 3.463 8.676 ( 0.000 -1.729 0.000) 1.729 8.676 ( 0.000 1.729 0.000) 1.729 9.160 ( 0.000 -2.640 0.000) 2.640 9.160 ( 0.000 2.640 0.000) 2.640 9.459 ( 0.000 -1.473 0.000) 1.473 9.459 ( 0.000 1.473 0.000) 1.473 9.637 ( 0.000 -2.612 0.000) 2.612 9.637 ( 0.000 2.612 0.000) 2.612 9.700 ( 0.000 -1.922 0.000) 1.922 9.700 ( 0.000 1.922 0.000) 1.922 9.982 ( 0.000 -3.159 0.000) 3.159 9.982 ( 0.000 3.159 0.000) 3.159 10.665 ( 0.000 -0.576 0.000) 0.576 10.665 ( 0.000 0.576 0.000) 0.576 10.680 ( 0.000 -3.045 0.000) 3.045 10.680 ( 0.000 3.045 0.000) 3.045 10.924 ( 0.000 -1.051 0.000) 1.051 10.924 ( 0.000 1.051 0.000) 1.051 11.151 ( 0.000 -2.466 0.000) 2.466 11.151 ( 0.000 2.466 0.000) 2.466 11.595 ( 0.000 -2.551 0.000) 2.551 11.595 ( 0.000 2.551 0.000) 2.551 11.641 ( 0.000 -0.563 0.000) 0.563 11.641 ( 0.000 0.563 0.000) 0.563 11.839 ( 0.000 -6.200 0.000) 6.200 11.839 ( 0.000 6.200 0.000) 6.200 12.169 ( 0.000 -0.826 0.000) 0.826 12.169 ( 0.000 0.826 0.000) 0.826 12.386 ( 0.000 -0.193 0.000) 0.193 12.386 ( 0.000 0.193 0.000) 0.193 12.686 ( 0.000 -1.429 0.000) 1.429 12.686 ( 0.000 1.429 0.000) 1.429 13.429 ( 0.000 -1.492 0.000) 1.492 13.429 ( 0.000 1.492 0.000) 1.492 13.594 ( 0.000 -12.449 0.000) 12.449 13.594 ( 0.000 12.449 0.000) 12.449 13.720 ( 0.000 -7.151 0.000) 7.151 13.720 ( 0.000 7.151 0.000) 7.151 14.042 ( 0.000 -0.553 0.000) 0.553 14.042 ( 0.000 0.553 0.000) 0.553 14.097 ( 0.000 -2.876 0.000) 2.876 14.097 ( 0.000 2.876 0.000) 2.876 14.370 ( 0.000 -1.203 0.000) 1.203 14.370 ( 0.000 1.203 0.000) 1.203 14.434 ( 0.000 -3.749 0.000) 3.749 14.434 ( 0.000 3.749 0.000) 3.749 14.456 ( 0.000 -0.418 0.000) 0.418 14.456 ( 0.000 0.418 0.000) 0.418 14.854 ( 0.000 -0.830 0.000) 0.830 14.854 ( 0.000 0.830 0.000) 0.830 14.963 ( 0.000 -13.318 0.000) 13.318 14.963 ( 0.000 13.318 0.000) 13.318 15.784 ( 0.000 -5.232 0.000) 5.232 15.784 ( 0.000 5.232 0.000) 5.232 16.166 ( 0.000 -2.339 0.000) 2.339 16.166 ( 0.000 2.339 0.000) 2.339 16.825 ( 0.000 -12.913 0.000) 12.913 16.825 ( 0.000 12.913 0.000) 12.913 16.834 ( 0.000 -4.515 0.000) 4.515 16.834 ( 0.000 4.515 0.000) 4.515 17.403 ( 0.000 -1.477 0.000) 1.477 17.403 ( 0.000 1.477 0.000) 1.477 17.679 ( 0.000 -5.868 0.000) 5.868 17.679 ( 0.000 5.868 0.000) 5.868 18.582 ( 0.000 -1.447 0.000) 1.447 18.582 ( 0.000 1.447 0.000) 1.447 18.677 ( 0.000 -30.450 0.000) 30.450 18.677 ( 0.000 30.450 0.000) 30.450 19.480 ( 0.000 -1.493 0.000) 1.493 19.480 ( 0.000 1.493 0.000) 1.493 19.738 ( 0.000 -8.808 0.000) 8.808 19.738 ( 0.000 8.808 0.000) 8.808 21.566 ( 0.000 -9.938 0.000) 9.938 21.566 ( 0.000 9.938 0.000) 9.938 21.984 ( 0.000 -1.745 0.000) 1.745 21.984 ( 0.000 1.745 0.000) 1.745 22.152 ( 0.000 -0.463 0.000) 0.463 22.152 ( 0.000 0.463 0.000) 0.463 22.282 ( 0.000 -2.539 0.000) 2.539 22.282 ( 0.000 2.539 0.000) 2.539 22.842 ( 0.000 -14.576 0.000) 14.576 22.842 ( 0.000 14.576 0.000) 14.576 23.109 ( 0.000 -3.167 0.000) 3.167 23.109 ( 0.000 3.167 0.000) 3.167 23.782 ( 0.000 -1.982 0.000) 1.982 23.782 ( 0.000 1.982 0.000) 1.982 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 2.980 -14.355 0.000) 14.661 1.309 ( 2.980 14.355 0.000) 14.661 1.506 ( 16.339 -15.734 0.000) 22.683 1.506 ( 16.339 15.734 0.000) 22.683 1.829 ( -11.520 -2.182 0.000) 11.725 1.829 ( -11.520 2.182 0.000) 11.725 2.108 ( -0.902 -1.921 0.000) 2.122 2.108 ( -0.902 1.921 0.000) 2.123 2.205 ( -11.663 -11.428 0.000) 16.329 2.205 ( -11.663 11.428 0.000) 16.329 2.551 ( 13.126 -2.503 0.000) 13.363 2.551 ( 13.126 2.503 0.000) 13.363 2.883 ( -1.124 -5.378 0.000) 5.494 2.883 ( -1.124 5.378 0.000) 5.494 2.937 ( -0.688 -2.768 0.000) 2.853 2.937 ( -0.688 2.768 0.000) 2.853 3.007 ( -1.701 -0.013 0.000) 1.701 3.007 ( -1.701 0.013 0.000) 1.701 3.206 ( 4.092 -1.634 0.000) 4.407 3.206 ( 4.092 1.634 0.000) 4.407 3.241 ( -1.972 -0.102 0.000) 1.975 3.241 ( -1.972 0.102 0.000) 1.975 3.383 ( 2.231 -0.345 0.000) 2.258 3.383 ( 2.231 0.345 0.000) 2.258 3.433 ( -3.511 -5.086 0.000) 6.180 3.433 ( -3.511 5.086 0.000) 6.180 3.971 ( 0.991 -0.372 0.000) 1.059 3.971 ( 0.991 0.372 0.000) 1.059 4.048 ( -6.380 -2.673 0.000) 6.917 4.048 ( -6.380 2.673 0.000) 6.917 4.144 ( -0.046 -0.595 0.000) 0.597 4.144 ( -0.046 0.595 0.000) 0.597 4.379 ( 0.881 -0.463 0.000) 0.996 4.379 ( 0.881 0.463 0.000) 0.996 4.566 ( 8.635 -0.320 0.000) 8.641 4.566 ( 8.635 0.320 0.000) 8.641 4.647 ( 0.120 -4.442 0.000) 4.444 4.647 ( 0.120 4.442 0.000) 4.444 4.745 ( -0.571 -3.311 0.000) 3.360 4.745 ( -0.571 3.311 0.000) 3.360 4.949 ( -6.171 -1.356 0.000) 6.318 4.949 ( -6.171 1.356 0.000) 6.318 5.184 ( 3.297 -1.757 0.000) 3.736 5.184 ( 3.297 1.757 0.000) 3.736 5.272 ( -0.522 -0.426 0.000) 0.674 5.272 ( -0.522 0.426 0.000) 0.674 5.326 ( -3.219 -0.357 0.000) 3.239 5.326 ( -3.219 0.357 0.000) 3.239 5.487 ( 6.015 -1.229 0.000) 6.140 5.487 ( 6.015 1.229 0.000) 6.140 5.592 ( -3.481 -0.074 0.000) 3.482 5.592 ( -3.481 0.074 0.000) 3.482 5.676 ( -6.889 -1.764 0.000) 7.111 5.676 ( -6.889 1.764 0.000) 7.111 6.046 ( 4.595 -0.190 0.000) 4.599 6.046 ( 4.595 0.190 0.000) 4.599 6.218 ( 2.526 -0.228 0.000) 2.536 6.218 ( 2.526 0.228 0.000) 2.536 6.278 ( 1.609 -1.721 0.000) 2.356 6.278 ( 1.609 1.721 0.000) 2.356 6.370 ( -4.617 -0.000 0.000) 4.617 6.370 ( -4.617 0.000 0.000) 4.617 6.436 ( -3.240 -0.155 0.000) 3.244 6.436 ( -3.240 0.155 0.000) 3.244 6.520 ( 1.476 -0.283 0.000) 1.503 6.520 ( 1.476 0.283 0.000) 1.503 6.655 ( 2.558 -1.023 0.000) 2.755 6.655 ( 2.558 1.023 0.000) 2.755 6.825 ( 7.895 -4.046 0.000) 8.871 6.825 ( 7.895 4.046 0.000) 8.871 6.899 ( 2.148 -0.614 0.000) 2.234 6.899 ( 2.148 0.614 0.000) 2.234 7.050 ( -5.584 -3.112 0.000) 6.393 7.050 ( -5.584 3.112 0.000) 6.393 7.154 ( 0.094 -0.124 0.000) 0.156 7.154 ( 0.094 0.124 0.000) 0.156 7.216 ( -0.101 -0.301 0.000) 0.317 7.216 ( -0.101 0.301 0.000) 0.317 7.384 ( -1.502 -0.090 0.000) 1.504 7.384 ( -1.502 0.090 0.000) 1.504 7.551 ( -4.660 -1.432 0.000) 4.875 7.551 ( -4.660 1.432 0.000) 4.875 7.936 ( -0.892 -0.518 0.000) 1.032 7.936 ( -0.892 0.518 0.000) 1.032 8.039 ( 6.126 -1.510 0.000) 6.310 8.039 ( 6.126 1.510 0.000) 6.310 8.127 ( -2.079 -0.220 0.000) 2.090 8.127 ( -2.079 0.220 0.000) 2.090 8.375 ( 1.451 -0.354 0.000) 1.494 8.375 ( 1.451 0.354 0.000) 1.494 8.517 ( 4.282 -0.014 0.000) 4.282 8.517 ( 4.282 0.014 0.000) 4.282 8.669 ( 0.540 -2.600 0.000) 2.656 8.669 ( 0.540 2.600 0.000) 2.656 8.684 ( -0.080 -0.161 0.000) 0.180 8.684 ( -0.080 0.161 0.000) 0.180 9.156 ( -0.242 -0.835 0.000) 0.870 9.156 ( -0.242 0.835 0.000) 0.870 9.412 ( -2.292 -0.333 0.000) 2.316 9.412 ( -2.292 0.333 0.000) 2.316 9.593 ( -2.190 -0.125 0.000) 2.193 9.593 ( -2.190 0.125 0.000) 2.193 9.756 ( 2.897 -0.334 0.000) 2.916 9.756 ( 2.897 0.334 0.000) 2.916 9.904 ( -4.331 -0.336 0.000) 4.344 9.904 ( -4.331 0.336 0.000) 4.344 10.588 ( -1.960 -0.005 0.000) 1.960 10.588 ( -1.960 0.005 0.000) 1.960 10.792 ( 4.140 -0.327 0.000) 4.153 10.792 ( 4.140 0.327 0.000) 4.153 10.933 ( 0.227 -0.022 0.000) 0.228 10.933 ( 0.227 0.022 0.000) 0.228 11.124 ( -1.546 -1.425 0.000) 2.102 11.124 ( -1.546 1.425 0.000) 2.102 11.604 ( 0.462 -1.307 0.000) 1.386 11.604 ( 0.462 1.307 0.000) 1.386 11.666 ( 1.447 -0.266 0.000) 1.471 11.666 ( 1.447 0.266 0.000) 1.471 11.825 ( -0.876 -2.956 0.000) 3.083 11.825 ( -0.876 2.956 0.000) 3.083 12.166 ( -0.118 -0.342 0.000) 0.362 12.166 ( -0.118 0.342 0.000) 0.362 12.377 ( -0.521 -0.046 0.000) 0.523 12.377 ( -0.521 0.046 0.000) 0.523 12.712 ( 1.310 -0.697 0.000) 1.484 12.712 ( 1.310 0.697 0.000) 1.484 13.381 ( -2.070 -0.046 0.000) 2.071 13.381 ( -2.070 0.046 0.000) 2.071 13.646 ( 2.879 -7.535 0.000) 8.067 13.646 ( 2.879 7.535 0.000) 8.067 13.706 ( -1.216 -6.369 0.000) 6.485 13.706 ( -1.216 6.369 0.000) 6.485 14.055 ( 0.728 -0.086 0.000) 0.733 14.055 ( 0.728 0.086 0.000) 0.733 14.082 ( -0.738 -1.419 0.000) 1.600 14.082 ( -0.738 1.419 0.000) 1.600 14.352 ( -1.200 -0.720 0.000) 1.399 14.352 ( -1.200 0.720 0.000) 1.399 14.404 ( -1.093 -1.401 0.000) 1.777 14.404 ( -1.093 1.401 0.000) 1.777 14.530 ( 5.462 -1.755 0.000) 5.737 14.530 ( 5.462 1.755 0.000) 5.737 14.682 ( -7.850 -3.918 0.000) 8.773 14.682 ( -7.850 3.918 0.000) 8.773 15.094 ( 4.011 -2.845 0.000) 4.918 15.094 ( 4.011 2.845 0.000) 4.918 15.764 ( -0.825 -1.824 0.000) 2.002 15.764 ( -0.825 1.824 0.000) 2.002 16.156 ( -0.801 -1.057 0.000) 1.326 16.156 ( -0.801 1.057 0.000) 1.326 16.830 ( 1.092 -1.072 0.000) 1.530 16.830 ( 1.092 1.072 0.000) 1.530 17.060 ( 9.333 -0.605 0.000) 9.353 17.060 ( 9.333 0.605 0.000) 9.353 17.406 ( 0.544 -0.021 0.000) 0.544 17.406 ( 0.544 0.021 0.000) 0.544 17.797 ( 9.836 -2.828 0.000) 10.235 17.797 ( 9.836 2.828 0.000) 10.235 18.337 ( -13.236 -9.914 0.000) 16.537 18.337 ( -13.236 9.914 0.000) 16.537 18.783 ( 3.097 -4.498 0.000) 5.461 18.783 ( 3.097 4.498 0.000) 5.461 19.346 ( -4.988 -0.001 0.000) 4.988 19.346 ( -4.988 0.001 0.000) 4.988 19.953 ( 9.447 -2.563 0.000) 9.788 19.953 ( 9.447 2.563 0.000) 9.788 21.450 ( -6.361 -3.940 0.000) 7.482 21.450 ( -6.361 3.940 0.000) 7.482 22.036 ( 3.471 -0.027 0.000) 3.471 22.036 ( 3.471 0.027 0.000) 3.471 22.123 ( -3.525 -1.010 0.000) 3.667 22.123 ( -3.525 1.010 0.000) 3.667 22.176 ( -3.260 -0.047 0.000) 3.260 22.176 ( -3.260 0.047 0.000) 3.260 22.910 ( 2.293 -3.264 0.000) 3.989 22.910 ( 2.293 3.264 0.000) 3.989 23.159 ( 2.880 -2.082 0.000) 3.554 23.159 ( 2.880 2.082 0.000) 3.554 23.780 ( -0.108 -0.960 0.000) 0.966 23.780 ( -0.108 0.960 0.000) 0.966 ======================= Grid point 15 (7/36) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 0.000 31.298) 31.298 0.756 ( 0.000 0.000 36.691) 36.691 1.190 ( 0.000 0.000 55.779) 55.779 1.662 ( 0.000 0.000 8.627) 8.627 2.052 ( 0.000 0.000 10.439) 10.439 2.137 ( 0.000 0.000 -19.827) 19.827 2.204 ( 0.000 0.000 0.652) 0.652 2.245 ( 0.000 0.000 7.953) 7.953 2.308 ( 0.000 0.000 1.906) 1.906 2.363 ( 0.000 0.000 23.808) 23.808 2.569 ( 0.000 0.000 3.218) 3.218 2.656 ( 0.000 0.000 4.948) 4.948 2.748 ( 0.000 0.000 -4.475) 4.475 2.807 ( 0.000 0.000 1.478) 1.478 2.938 ( 0.000 0.000 -1.680) 1.680 3.138 ( 0.000 0.000 0.441) 0.441 3.192 ( 0.000 0.000 19.424) 19.424 3.221 ( 0.000 0.000 1.439) 1.439 3.223 ( 0.000 0.000 5.536) 5.536 3.273 ( 0.000 0.000 1.958) 1.958 3.351 ( 0.000 0.000 -0.617) 0.617 3.557 ( 0.000 0.000 -0.490) 0.490 3.558 ( 0.000 0.000 0.688) 0.688 3.680 ( 0.000 0.000 0.788) 0.788 3.784 ( 0.000 0.000 -1.256) 1.256 3.852 ( 0.000 0.000 0.331) 0.331 3.940 ( 0.000 0.000 7.822) 7.822 3.966 ( 0.000 0.000 6.109) 6.109 3.966 ( 0.000 0.000 -3.083) 3.083 4.024 ( 0.000 0.000 -5.233) 5.233 4.140 ( 0.000 0.000 -4.114) 4.114 4.156 ( 0.000 0.000 -2.631) 2.631 4.311 ( 0.000 0.000 -5.854) 5.854 4.406 ( 0.000 0.000 4.209) 4.209 4.428 ( 0.000 0.000 11.773) 11.773 4.559 ( 0.000 0.000 0.050) 0.050 4.614 ( 0.000 0.000 4.981) 4.981 4.630 ( 0.000 0.000 3.449) 3.449 4.685 ( 0.000 0.000 7.913) 7.913 4.793 ( 0.000 0.000 11.629) 11.629 4.892 ( 0.000 0.000 -5.220) 5.220 5.041 ( 0.000 0.000 -1.790) 1.790 5.052 ( 0.000 0.000 -2.425) 2.425 5.163 ( 0.000 0.000 3.269) 3.269 5.166 ( 0.000 0.000 -12.219) 12.219 5.205 ( 0.000 0.000 -5.889) 5.889 5.225 ( 0.000 0.000 -3.213) 3.213 5.335 ( 0.000 0.000 4.546) 4.546 5.390 ( 0.000 0.000 12.909) 12.909 5.391 ( 0.000 0.000 3.909) 3.909 5.441 ( 0.000 0.000 1.515) 1.515 5.469 ( 0.000 0.000 3.446) 3.446 5.571 ( 0.000 0.000 11.970) 11.970 5.617 ( 0.000 0.000 4.547) 4.547 5.917 ( 0.000 0.000 0.232) 0.232 5.924 ( 0.000 0.000 -5.239) 5.239 6.097 ( 0.000 0.000 -0.129) 0.129 6.135 ( 0.000 0.000 -6.771) 6.771 6.218 ( 0.000 0.000 2.124) 2.124 6.252 ( 0.000 0.000 -9.946) 9.946 6.304 ( 0.000 0.000 -7.616) 7.616 6.389 ( 0.000 0.000 -3.122) 3.122 6.475 ( 0.000 0.000 -0.498) 0.498 6.530 ( 0.000 0.000 -6.805) 6.805 6.531 ( 0.000 0.000 3.506) 3.506 6.550 ( 0.000 0.000 10.604) 10.604 6.635 ( 0.000 0.000 3.150) 3.150 6.718 ( 0.000 0.000 11.374) 11.374 6.757 ( 0.000 0.000 0.386) 0.386 6.895 ( 0.000 0.000 -3.048) 3.048 6.900 ( 0.000 0.000 0.769) 0.769 6.961 ( 0.000 0.000 5.248) 5.248 7.070 ( 0.000 0.000 8.175) 8.175 7.095 ( 0.000 0.000 3.622) 3.622 7.151 ( 0.000 0.000 3.643) 3.643 7.185 ( 0.000 0.000 -4.124) 4.124 7.333 ( 0.000 0.000 2.715) 2.715 7.341 ( 0.000 0.000 1.810) 1.810 7.465 ( 0.000 0.000 13.718) 13.718 7.519 ( 0.000 0.000 9.087) 9.087 7.556 ( 0.000 0.000 7.285) 7.285 7.730 ( 0.000 0.000 -11.418) 11.418 7.859 ( 0.000 0.000 -1.631) 1.631 7.896 ( 0.000 0.000 1.174) 1.174 7.969 ( 0.000 0.000 4.766) 4.766 8.023 ( 0.000 0.000 -5.252) 5.252 8.084 ( 0.000 0.000 -2.343) 2.343 8.146 ( 0.000 0.000 -2.217) 2.217 8.355 ( 0.000 0.000 -4.300) 4.300 8.466 ( 0.000 0.000 -0.711) 0.711 8.540 ( 0.000 0.000 -1.669) 1.669 8.567 ( 0.000 0.000 -2.568) 2.568 8.581 ( 0.000 0.000 -0.810) 0.810 8.661 ( 0.000 0.000 2.250) 2.250 8.756 ( 0.000 0.000 -6.150) 6.150 8.766 ( 0.000 0.000 3.153) 3.153 9.200 ( 0.000 0.000 8.826) 8.826 9.423 ( 0.000 0.000 -4.791) 4.791 9.502 ( 0.000 0.000 -10.876) 10.876 9.513 ( 0.000 0.000 5.037) 5.037 9.667 ( 0.000 0.000 -0.156) 0.156 9.745 ( 0.000 0.000 -10.964) 10.964 9.801 ( 0.000 0.000 -4.754) 4.754 9.805 ( 0.000 0.000 18.919) 18.919 9.818 ( 0.000 0.000 5.057) 5.057 10.129 ( 0.000 0.000 5.640) 5.640 10.508 ( 0.000 0.000 -12.939) 12.939 10.519 ( 0.000 0.000 -8.299) 8.299 10.540 ( 0.000 0.000 -4.663) 4.663 10.716 ( 0.000 0.000 -8.425) 8.425 11.126 ( 0.000 0.000 5.399) 5.399 11.173 ( 0.000 0.000 9.443) 9.443 11.357 ( 0.000 0.000 31.472) 31.472 11.488 ( 0.000 0.000 -4.232) 4.232 11.595 ( 0.000 0.000 -2.611) 2.611 11.621 ( 0.000 0.000 -1.674) 1.674 11.638 ( 0.000 0.000 -2.928) 2.928 11.744 ( 0.000 0.000 -17.717) 17.717 11.752 ( 0.000 0.000 1.133) 1.133 12.228 ( 0.000 0.000 11.356) 11.356 12.309 ( 0.000 0.000 13.119) 13.119 12.565 ( 0.000 0.000 16.638) 16.638 12.604 ( 0.000 0.000 -3.730) 3.730 12.649 ( 0.000 0.000 -6.360) 6.360 12.794 ( 0.000 0.000 25.257) 25.257 13.212 ( 0.000 0.000 -1.893) 1.893 13.370 ( 0.000 0.000 -2.832) 2.832 13.451 ( 0.000 0.000 -2.081) 2.081 13.519 ( 0.000 0.000 -0.855) 0.855 13.716 ( 0.000 0.000 -12.378) 12.378 13.915 ( 0.000 0.000 -2.963) 2.963 13.936 ( 0.000 0.000 -6.980) 6.980 14.067 ( 0.000 0.000 3.827) 3.827 14.090 ( 0.000 0.000 5.346) 5.346 14.184 ( 0.000 0.000 4.298) 4.298 14.270 ( 0.000 0.000 2.695) 2.695 14.310 ( 0.000 0.000 4.394) 4.394 14.381 ( 0.000 0.000 -0.212) 0.212 14.424 ( 0.000 0.000 1.373) 1.373 14.508 ( 0.000 0.000 0.260) 0.260 14.521 ( 0.000 0.000 4.835) 4.835 14.757 ( 0.000 0.000 -3.412) 3.412 14.792 ( 0.000 0.000 -0.150) 0.150 14.840 ( 0.000 0.000 -0.576) 0.576 15.438 ( 0.000 0.000 -5.984) 5.984 15.630 ( 0.000 0.000 2.853) 2.853 15.722 ( 0.000 0.000 0.969) 0.969 15.937 ( 0.000 0.000 9.267) 9.267 16.037 ( 0.000 0.000 -6.198) 6.198 16.245 ( 0.000 0.000 -10.003) 10.003 16.664 ( 0.000 0.000 -7.009) 7.009 16.932 ( 0.000 0.000 -20.973) 20.973 17.051 ( 0.000 0.000 3.152) 3.152 17.334 ( 0.000 0.000 -9.884) 9.884 17.435 ( 0.000 0.000 2.312) 2.312 17.445 ( 0.000 0.000 -1.236) 1.236 17.529 ( 0.000 0.000 -23.776) 23.776 17.827 ( 0.000 0.000 -1.310) 1.310 18.335 ( 0.000 0.000 -3.479) 3.479 18.337 ( 0.000 0.000 1.788) 1.788 18.534 ( 0.000 0.000 -5.225) 5.225 18.896 ( 0.000 0.000 15.731) 15.731 19.503 ( 0.000 0.000 -21.768) 21.768 19.588 ( 0.000 0.000 3.649) 3.649 19.618 ( 0.000 0.000 11.007) 11.007 20.150 ( 0.000 0.000 4.552) 4.552 20.564 ( 0.000 0.000 5.906) 5.906 21.170 ( 0.000 0.000 -9.196) 9.196 21.897 ( 0.000 0.000 4.787) 4.787 21.911 ( 0.000 0.000 -3.842) 3.842 21.961 ( 0.000 0.000 -6.243) 6.243 22.094 ( 0.000 0.000 -2.828) 2.828 22.307 ( 0.000 0.000 -0.116) 0.116 22.351 ( 0.000 0.000 13.207) 13.207 22.390 ( 0.000 0.000 -0.078) 0.078 22.421 ( 0.000 0.000 -20.331) 20.331 23.058 ( 0.000 0.000 -4.918) 4.918 23.125 ( 0.000 0.000 -5.994) 5.994 23.771 ( 0.000 0.000 0.118) 0.118 23.788 ( 0.000 0.000 -8.537) 8.537 ======================= Grid point 16 (8/36) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 18.630 0.000 16.318) 24.766 0.911 ( 20.172 0.000 20.308) 28.623 1.384 ( -19.569 0.000 11.469) 22.682 1.411 ( -29.353 0.000 -4.365) 29.676 1.664 ( 19.432 0.000 36.766) 41.586 2.028 ( -11.129 0.000 17.051) 20.362 2.265 ( 4.720 0.000 0.987) 4.822 2.355 ( -1.206 0.000 1.318) 1.787 2.458 ( 5.499 0.000 12.570) 13.720 2.561 ( -5.252 0.000 5.451) 7.570 2.595 ( 13.611 0.000 4.641) 14.381 2.659 ( 8.241 0.000 0.389) 8.251 2.775 ( -0.274 0.000 -0.194) 0.336 2.828 ( -3.912 0.000 -4.393) 5.883 2.942 ( 5.814 0.000 5.812) 8.220 3.126 ( -4.899 0.000 4.976) 6.983 3.148 ( -1.834 0.000 18.330) 18.422 3.170 ( -2.040 0.000 0.064) 2.041 3.182 ( -3.005 0.000 7.473) 8.055 3.198 ( -2.634 0.000 -1.068) 2.842 3.422 ( 4.498 0.000 0.094) 4.499 3.520 ( -3.407 0.000 0.617) 3.462 3.621 ( 4.208 0.000 0.552) 4.244 3.699 ( -1.827 0.000 0.236) 1.843 3.797 ( 1.121 0.000 -1.020) 1.516 3.829 ( -1.536 0.000 -0.159) 1.544 3.945 ( -0.676 0.000 1.096) 1.287 3.954 ( -1.068 0.000 3.273) 3.442 3.964 ( 2.805 0.000 0.427) 2.838 4.048 ( -2.037 0.000 -3.772) 4.287 4.126 ( 3.008 0.000 -0.097) 3.010 4.200 ( -2.389 0.000 1.319) 2.729 4.326 ( 2.105 0.000 -3.579) 4.152 4.433 ( 1.042 0.000 9.068) 9.128 4.461 ( -6.377 0.000 -1.500) 6.551 4.489 ( -3.547 0.000 4.048) 5.382 4.620 ( 10.501 0.000 -7.939) 13.164 4.687 ( 3.855 0.000 5.571) 6.775 4.759 ( 0.168 0.000 -4.686) 4.689 4.765 ( -2.689 0.000 8.888) 9.286 4.875 ( 2.128 0.000 -1.015) 2.358 4.983 ( -4.857 0.000 -0.340) 4.868 5.036 ( 0.910 0.000 -2.978) 3.114 5.100 ( -3.895 0.000 -7.846) 8.760 5.210 ( 0.350 0.000 -5.366) 5.377 5.225 ( -0.500 0.000 -3.946) 3.978 5.264 ( 6.287 0.000 1.940) 6.580 5.330 ( 0.191 0.000 2.946) 2.952 5.448 ( 1.947 0.000 3.586) 4.081 5.454 ( 0.711 0.000 2.697) 2.790 5.471 ( 3.150 0.000 7.094) 7.762 5.524 ( -2.932 0.000 10.355) 10.762 5.543 ( 5.116 0.000 0.601) 5.151 5.622 ( -0.771 0.000 1.408) 1.605 5.930 ( 2.582 0.000 1.296) 2.889 5.955 ( 3.117 0.000 -9.831) 10.314 6.036 ( -4.960 0.000 1.070) 5.074 6.060 ( -5.495 0.000 -11.420) 12.674 6.297 ( 3.444 0.000 -9.909) 10.490 6.318 ( 6.664 0.000 -1.288) 6.787 6.354 ( 3.877 0.000 -1.393) 4.119 6.388 ( -4.399 0.000 -8.329) 9.419 6.405 ( 1.722 0.000 -0.412) 1.771 6.545 ( -3.788 0.000 4.183) 5.643 6.572 ( 1.505 0.000 9.539) 9.657 6.648 ( 1.624 0.000 -0.020) 1.624 6.661 ( 7.867 0.000 0.912) 7.920 6.674 ( 0.627 0.000 15.183) 15.196 6.774 ( 1.083 0.000 1.511) 1.859 6.831 ( -3.532 0.000 -2.055) 4.086 6.881 ( -5.462 0.000 4.266) 6.930 6.892 ( -13.379 0.000 5.826) 14.593 6.969 ( 2.214 0.000 0.487) 2.267 7.002 ( -1.287 0.000 3.534) 3.761 7.246 ( 4.332 0.000 3.104) 5.329 7.303 ( 7.738 0.000 8.756) 11.685 7.322 ( 1.227 0.000 -0.903) 1.524 7.425 ( -3.353 0.000 12.377) 12.823 7.454 ( 4.695 0.000 5.641) 7.339 7.517 ( -1.244 0.000 4.495) 4.664 7.536 ( 1.105 0.000 6.333) 6.429 7.686 ( -10.847 0.000 3.539) 11.410 7.710 ( -0.272 0.000 -8.551) 8.555 7.820 ( -10.015 0.000 -2.322) 10.281 7.921 ( 3.540 0.000 -0.935) 3.661 7.974 ( -0.940 0.000 -1.557) 1.819 8.248 ( 8.689 0.000 0.758) 8.722 8.277 ( 4.242 0.000 -1.118) 4.387 8.323 ( -1.631 0.000 -1.215) 2.034 8.408 ( -5.033 0.000 -0.295) 5.042 8.496 ( 0.162 0.000 -1.285) 1.295 8.556 ( -3.228 0.000 -1.786) 3.690 8.632 ( 3.705 0.000 -3.088) 4.824 8.679 ( 0.770 0.000 -2.351) 2.474 8.734 ( -0.991 0.000 -2.004) 2.236 8.749 ( -1.435 0.000 3.719) 3.986 9.266 ( 5.547 0.000 8.905) 10.491 9.424 ( -7.062 0.000 6.545) 9.629 9.448 ( 1.845 0.000 -6.110) 6.383 9.486 ( -1.286 0.000 -9.105) 9.196 9.691 ( 2.013 0.000 -2.839) 3.480 9.744 ( -1.486 0.000 -7.187) 7.339 9.777 ( -0.115 0.000 -2.644) 2.647 9.803 ( -1.318 0.000 1.587) 2.063 9.848 ( 4.316 0.000 23.448) 23.842 10.005 ( -8.625 0.000 20.769) 22.488 10.523 ( 1.171 0.000 -10.095) 10.163 10.545 ( -0.260 0.000 -6.404) 6.409 10.566 ( 3.781 0.000 -8.300) 9.121 10.664 ( -4.079 0.000 -8.400) 9.338 11.134 ( 1.568 0.000 6.006) 6.208 11.174 ( -0.866 0.000 5.722) 5.787 11.432 ( 8.316 0.000 37.913) 38.814 11.522 ( 2.843 0.000 -3.961) 4.876 11.595 ( -2.963 0.000 -3.963) 4.948 11.642 ( 2.937 0.000 0.875) 3.065 11.670 ( 3.029 0.000 -0.502) 3.071 11.683 ( -3.996 0.000 -10.269) 11.019 11.731 ( -1.922 0.000 0.370) 1.957 12.073 ( -30.344 0.000 38.543) 49.054 12.311 ( 0.795 0.000 15.103) 15.124 12.416 ( -16.685 0.000 32.408) 36.451 12.616 ( 0.917 0.000 -4.356) 4.451 12.638 ( -0.868 0.000 -5.679) 5.745 12.743 ( -3.531 0.000 24.704) 24.955 12.770 ( -19.434 0.000 44.865) 48.893 13.254 ( 3.417 0.000 -2.256) 4.095 13.336 ( -3.020 0.000 -2.784) 4.107 13.515 ( 4.273 0.000 -1.382) 4.491 13.629 ( -7.464 0.000 2.696) 7.936 13.727 ( 1.504 0.000 -10.578) 10.684 13.799 ( -4.730 0.000 -7.785) 9.109 14.040 ( 3.560 0.000 0.285) 3.572 14.076 ( 0.157 0.000 3.444) 3.448 14.122 ( 1.986 0.000 5.533) 5.878 14.175 ( -2.316 0.000 5.997) 6.429 14.264 ( 0.111 0.000 1.298) 1.303 14.290 ( -1.565 0.000 1.657) 2.279 14.447 ( 2.327 0.000 1.553) 2.797 14.499 ( 0.712 0.000 3.443) 3.516 14.524 ( -1.320 0.000 3.868) 4.087 14.547 ( -7.001 0.000 -0.178) 7.003 14.733 ( 0.286 0.000 4.310) 4.320 14.798 ( -3.338 0.000 0.449) 3.368 15.086 ( 13.663 0.000 -3.271) 14.049 15.344 ( -8.253 0.000 -4.899) 9.598 15.924 ( 7.561 0.000 -2.174) 7.868 15.938 ( 1.584 0.000 3.513) 3.853 16.007 ( -3.091 0.000 -3.110) 4.385 16.122 ( -8.806 0.000 -7.002) 11.250 16.756 ( 7.698 0.000 -4.325) 8.829 16.940 ( -7.785 0.000 -1.015) 7.851 17.036 ( 8.443 0.000 -15.675) 17.804 17.245 ( -8.078 0.000 -9.755) 12.666 17.451 ( 2.207 0.000 -7.312) 7.638 17.507 ( -2.059 0.000 -16.458) 16.586 17.538 ( 9.040 0.000 -1.278) 9.130 17.753 ( -8.562 0.000 1.000) 8.621 18.373 ( 3.267 0.000 -4.005) 5.169 18.469 ( -4.576 0.000 -4.378) 6.333 18.999 ( 8.120 0.000 13.242) 15.533 19.199 ( 16.957 0.000 -25.840) 30.907 19.242 ( -13.336 0.000 10.067) 16.709 19.446 ( -6.692 0.000 -22.764) 23.727 20.027 ( 18.231 0.000 5.374) 19.007 20.391 ( -13.190 0.000 4.752) 14.020 21.204 ( 48.479 0.000 -35.001) 59.794 21.327 ( 11.502 0.000 -6.787) 13.355 21.618 ( -13.306 0.000 -3.400) 13.734 21.883 ( -12.839 0.000 -16.040) 20.546 22.075 ( 0.869 0.000 -2.945) 3.071 22.128 ( 8.155 0.000 3.898) 9.039 22.205 ( -11.906 0.000 -6.919) 13.770 22.270 ( -4.255 0.000 4.522) 6.210 22.351 ( 1.225 0.000 5.433) 5.569 22.383 ( -1.014 0.000 2.482) 2.681 23.025 ( 1.313 0.000 -4.439) 4.629 23.091 ( -3.060 0.000 -5.829) 6.583 23.784 ( 1.455 0.000 -1.766) 2.288 23.812 ( -0.261 0.000 -4.958) 4.964 ======================= Grid point 18 (9/36) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 23.279 21.551) 31.723 0.968 ( 0.000 17.608 26.910) 32.158 1.566 ( 0.000 30.794 39.177) 49.830 1.730 ( 0.000 1.703 4.418) 4.735 2.050 ( 0.000 -9.181 9.390) 13.133 2.070 ( 0.000 -21.214 17.569) 27.544 2.105 ( 0.000 -2.380 -9.124) 9.430 2.113 ( 0.000 1.147 6.825) 6.921 2.250 ( 0.000 8.151 6.166) 10.220 2.384 ( 0.000 4.696 -2.642) 5.388 2.483 ( 0.000 -12.020 2.054) 12.194 2.703 ( 0.000 8.177 1.724) 8.356 2.824 ( 0.000 6.158 -2.846) 6.784 2.877 ( 0.000 -1.243 3.721) 3.924 2.927 ( 0.000 -7.401 4.637) 8.733 3.073 ( 0.000 -9.403 -0.916) 9.447 3.080 ( 0.000 -5.323 5.127) 7.391 3.122 ( 0.000 -2.056 1.849) 2.766 3.166 ( 0.000 -5.466 4.433) 7.038 3.223 ( 0.000 -10.577 -2.330) 10.831 3.301 ( 0.000 2.538 0.287) 2.554 3.490 ( 0.000 -2.542 2.962) 3.903 3.509 ( 0.000 -9.906 5.714) 11.436 3.524 ( 0.000 -4.246 3.617) 5.578 3.711 ( 0.000 -13.183 10.007) 16.551 3.737 ( 0.000 -4.280 10.277) 11.133 3.935 ( 0.000 1.214 0.074) 1.216 3.943 ( 0.000 0.986 1.473) 1.773 4.076 ( 0.000 5.031 -0.399) 5.047 4.078 ( 0.000 2.503 -2.926) 3.850 4.134 ( 0.000 1.462 -2.120) 2.575 4.188 ( 0.000 2.998 -2.880) 4.157 4.289 ( 0.000 -4.087 2.469) 4.775 4.293 ( 0.000 -0.628 -4.432) 4.477 4.503 ( 0.000 1.277 4.675) 4.846 4.556 ( 0.000 2.910 10.349) 10.750 4.589 ( 0.000 -4.968 9.187) 10.444 4.679 ( 0.000 4.610 2.725) 5.355 4.717 ( 0.000 4.897 -3.690) 6.132 4.871 ( 0.000 3.642 4.468) 5.764 4.902 ( 0.000 1.040 -6.156) 6.243 4.914 ( 0.000 -6.178 -3.231) 6.972 5.130 ( 0.000 -0.588 4.432) 4.471 5.209 ( 0.000 0.375 -5.698) 5.710 5.216 ( 0.000 0.148 -4.558) 4.560 5.300 ( 0.000 1.023 0.440) 1.113 5.333 ( 0.000 6.172 -1.568) 6.368 5.341 ( 0.000 4.783 0.117) 4.784 5.406 ( 0.000 3.543 -0.519) 3.581 5.418 ( 0.000 5.629 -3.971) 6.889 5.463 ( 0.000 2.832 1.132) 3.049 5.477 ( 0.000 0.201 5.508) 5.511 5.606 ( 0.000 3.186 9.131) 9.671 5.719 ( 0.000 6.998 1.788) 7.223 5.830 ( 0.000 -5.261 -0.371) 5.274 5.945 ( 0.000 -1.631 -2.939) 3.361 6.088 ( 0.000 0.332 -1.099) 1.148 6.126 ( 0.000 -0.450 -6.512) 6.528 6.251 ( 0.000 2.714 2.064) 3.410 6.291 ( 0.000 1.827 -7.578) 7.795 6.336 ( 0.000 3.420 -10.025) 10.592 6.367 ( 0.000 -1.321 -3.710) 3.938 6.435 ( 0.000 -2.689 4.184) 4.974 6.479 ( 0.000 -1.467 -4.252) 4.498 6.563 ( 0.000 -0.828 -3.171) 3.278 6.566 ( 0.000 -2.620 3.154) 4.100 6.598 ( 0.000 2.731 4.788) 5.512 6.758 ( 0.000 0.395 8.480) 8.489 6.819 ( 0.000 3.761 2.759) 4.665 6.897 ( 0.000 -1.790 3.622) 4.041 6.900 ( 0.000 -0.153 0.883) 0.896 6.964 ( 0.000 5.352 7.346) 9.089 6.984 ( 0.000 -3.004 3.917) 4.936 7.181 ( 0.000 2.229 2.193) 3.126 7.199 ( 0.000 4.443 6.268) 7.683 7.277 ( 0.000 5.458 -0.898) 5.532 7.313 ( 0.000 -2.086 2.755) 3.456 7.318 ( 0.000 -0.991 4.490) 4.598 7.485 ( 0.000 -2.192 13.236) 13.417 7.498 ( 0.000 1.837 11.984) 12.124 7.599 ( 0.000 3.339 3.957) 5.178 7.735 ( 0.000 0.428 -10.073) 10.082 7.853 ( 0.000 -1.835 -1.787) 2.561 7.868 ( 0.000 -2.549 0.754) 2.659 7.899 ( 0.000 -3.250 2.565) 4.140 7.962 ( 0.000 -3.126 -5.160) 6.033 8.172 ( 0.000 5.419 -3.469) 6.434 8.199 ( 0.000 3.563 -0.928) 3.681 8.347 ( 0.000 -0.899 -3.125) 3.252 8.415 ( 0.000 -4.140 -0.412) 4.161 8.529 ( 0.000 -0.523 1.134) 1.249 8.575 ( 0.000 0.367 -0.569) 0.677 8.600 ( 0.000 1.705 -1.115) 2.037 8.639 ( 0.000 -1.311 -0.097) 1.315 8.738 ( 0.000 -2.279 3.199) 3.928 8.740 ( 0.000 -1.485 -4.418) 4.661 9.162 ( 0.000 -2.076 7.415) 7.700 9.350 ( 0.000 -10.516 8.460) 13.496 9.461 ( 0.000 2.503 -6.431) 6.900 9.521 ( 0.000 -0.151 -11.758) 11.759 9.693 ( 0.000 2.099 -0.299) 2.121 9.743 ( 0.000 -0.003 -4.119) 4.119 9.770 ( 0.000 -0.986 6.013) 6.093 9.792 ( 0.000 -1.815 5.950) 6.221 9.899 ( 0.000 6.268 11.053) 12.706 10.131 ( 0.000 -1.265 6.776) 6.893 10.518 ( 0.000 0.809 -11.662) 11.690 10.520 ( 0.000 0.446 -6.384) 6.400 10.578 ( 0.000 2.783 -6.945) 7.482 10.696 ( 0.000 -1.757 -8.153) 8.340 11.144 ( 0.000 1.519 4.594) 4.839 11.187 ( 0.000 0.786 6.594) 6.640 11.388 ( 0.000 4.366 40.634) 40.867 11.504 ( 0.000 1.438 -4.213) 4.452 11.593 ( 0.000 -0.028 -3.464) 3.464 11.610 ( 0.000 -1.991 -3.910) 4.388 11.617 ( 0.000 -0.696 -3.719) 3.784 11.748 ( 0.000 0.254 -11.720) 11.723 11.754 ( 0.000 0.086 -0.017) 0.087 12.211 ( 0.000 -3.428 14.699) 15.093 12.306 ( 0.000 -0.223 13.605) 13.607 12.546 ( 0.000 -4.378 22.214) 22.641 12.600 ( 0.000 -1.463 -1.504) 2.098 12.624 ( 0.000 -1.824 -2.416) 3.027 12.764 ( 0.000 -2.204 20.425) 20.544 13.250 ( 0.000 -74.907 87.154) 114.921 13.300 ( 0.000 5.868 -4.112) 7.166 13.410 ( 0.000 4.547 0.197) 4.551 13.453 ( 0.000 -8.465 6.184) 10.483 13.569 ( 0.000 4.395 -1.720) 4.720 13.763 ( 0.000 -14.892 1.847) 15.006 13.849 ( 0.000 -6.697 -3.105) 7.382 13.948 ( 0.000 2.565 -2.740) 3.753 14.092 ( 0.000 2.202 3.639) 4.254 14.096 ( 0.000 -3.912 6.697) 7.756 14.199 ( 0.000 -5.714 8.187) 9.984 14.330 ( 0.000 3.757 1.051) 3.901 14.362 ( 0.000 2.336 2.561) 3.466 14.391 ( 0.000 0.281 0.105) 0.300 14.454 ( 0.000 2.443 1.697) 2.974 14.503 ( 0.000 -1.599 3.838) 4.158 14.557 ( 0.000 -5.361 10.125) 11.457 14.772 ( 0.000 -0.043 -2.047) 2.047 14.883 ( 0.000 3.171 2.795) 4.227 14.886 ( 0.000 -7.457 4.748) 8.841 15.314 ( 0.000 -15.160 1.096) 15.199 15.657 ( 0.000 2.460 -0.140) 2.464 15.788 ( 0.000 -0.826 -3.857) 3.944 16.088 ( 0.000 4.249 -3.264) 5.358 16.236 ( 0.000 -0.379 -4.626) 4.642 16.496 ( 0.000 -4.315 -1.599) 4.602 16.648 ( 0.000 -1.917 -11.045) 11.210 16.920 ( 0.000 -0.830 -14.679) 14.703 17.035 ( 0.000 -6.791 7.980) 10.478 17.318 ( 0.000 -1.341 -10.641) 10.725 17.327 ( 0.000 -3.681 -2.745) 4.592 17.573 ( 0.000 5.936 1.045) 6.027 17.789 ( 0.000 -3.408 -1.947) 3.925 17.956 ( 0.000 16.762 -14.657) 22.267 18.497 ( 0.000 5.817 -0.671) 5.856 18.520 ( 0.000 -1.810 -6.327) 6.581 19.211 ( 0.000 -23.933 -14.410) 27.937 19.463 ( 0.000 3.161 1.312) 3.422 19.595 ( 0.000 -2.227 8.093) 8.394 19.745 ( 0.000 5.607 10.769) 12.141 20.035 ( 0.000 -8.075 6.662) 10.468 21.247 ( 0.000 6.433 -10.098) 11.973 21.483 ( 0.000 12.175 -25.754) 28.486 21.936 ( 0.000 10.009 -9.219) 13.607 21.996 ( 0.000 4.741 4.123) 6.283 22.018 ( 0.000 3.340 -3.276) 4.679 22.109 ( 0.000 2.372 -2.525) 3.464 22.315 ( 0.000 0.513 -0.036) 0.514 22.339 ( 0.000 -0.796 10.171) 10.202 22.434 ( 0.000 4.245 -6.153) 7.475 22.543 ( 0.000 5.976 -29.068) 29.676 23.063 ( 0.000 0.242 -5.027) 5.033 23.110 ( 0.000 -1.278 -5.548) 5.693 23.750 ( 0.000 -1.436 -1.564) 2.124 23.761 ( 0.000 -1.907 -7.524) 7.762 ======================= Grid point 19 (10/36) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 12.707 16.146 11.644) 23.616 1.186 ( 13.778 20.526 14.721) 28.772 1.473 ( -24.183 3.516 -5.834) 25.124 1.563 ( -17.265 14.264 9.016) 24.142 1.808 ( 9.157 11.356 26.390) 30.154 1.927 ( -5.149 -8.010 15.336) 18.051 2.167 ( 4.999 -10.910 5.884) 13.365 2.312 ( 3.525 -9.186 5.204) 11.130 2.358 ( 0.592 -2.752 14.224) 14.500 2.504 ( -0.405 -1.730 2.927) 3.424 2.547 ( 12.058 1.662 2.176) 12.365 2.724 ( -3.903 -0.046 1.260) 4.102 2.768 ( 5.075 6.687 0.328) 8.401 2.888 ( -3.179 1.294 -0.822) 3.530 2.959 ( 3.125 -7.432 6.050) 10.080 3.029 ( -2.333 -4.169 1.300) 4.951 3.074 ( 0.053 -7.024 2.273) 7.382 3.132 ( -1.951 -5.772 1.888) 6.378 3.151 ( 1.191 1.670 3.314) 3.898 3.212 ( -3.009 -0.929 2.329) 3.917 3.355 ( 4.774 -4.446 0.036) 6.524 3.457 ( -3.430 -5.664 0.950) 6.690 3.534 ( 1.885 -5.174 4.885) 7.361 3.550 ( 0.859 -6.617 5.014) 8.346 3.688 ( -0.460 -11.630 11.395) 16.288 3.720 ( -2.031 -7.937 12.564) 14.999 3.933 ( 0.832 3.208 0.864) 3.425 3.956 ( -0.254 3.871 1.385) 4.119 4.032 ( -0.198 0.832 1.661) 1.869 4.074 ( -2.042 0.749 -2.015) 2.965 4.121 ( 0.541 0.269 -1.354) 1.483 4.154 ( -1.785 -2.007 1.000) 2.866 4.326 ( 2.277 0.134 -3.059) 3.816 4.408 ( 0.835 -1.363 -1.610) 2.269 4.518 ( 0.306 3.501 4.443) 5.665 4.550 ( 2.290 4.262 2.630) 5.507 4.615 ( 1.496 3.243 1.859) 4.026 4.693 ( 6.686 -4.062 0.239) 7.827 4.776 ( -0.062 1.885 3.361) 3.854 4.781 ( -4.870 -1.282 -5.300) 7.311 4.827 ( -3.961 0.901 -0.402) 4.082 4.863 ( -4.505 -4.058 -1.896) 6.353 5.197 ( 0.567 0.558 -5.430) 5.488 5.223 ( -1.266 1.775 -5.202) 5.640 5.239 ( 6.104 1.843 4.223) 7.648 5.252 ( 0.416 4.909 -2.752) 5.643 5.296 ( -3.378 6.797 -2.606) 8.025 5.343 ( -1.163 0.729 4.507) 4.712 5.441 ( 4.342 -1.062 2.628) 5.186 5.468 ( 3.345 2.290 0.826) 4.137 5.491 ( 0.732 3.162 1.725) 3.675 5.545 ( -0.542 1.291 6.492) 6.641 5.563 ( 1.097 2.041 2.474) 3.390 5.676 ( -4.626 2.244 -1.059) 5.250 5.903 ( 5.108 -1.187 -1.893) 5.575 5.949 ( 0.371 -1.375 -4.809) 5.015 6.047 ( -1.585 1.371 -5.497) 5.883 6.088 ( -3.869 2.043 -8.600) 9.649 6.256 ( 1.167 -0.653 -7.021) 7.147 6.306 ( -2.445 -2.360 -5.453) 6.425 6.355 ( 2.245 -0.311 -3.676) 4.319 6.415 ( -2.207 -1.061 -4.511) 5.132 6.426 ( 7.666 3.387 0.625) 8.404 6.521 ( 2.148 -2.621 5.700) 6.632 6.572 ( 4.603 -0.812 2.104) 5.126 6.588 ( -0.356 1.262 3.218) 3.474 6.648 ( -0.926 0.072 5.887) 5.960 6.771 ( -3.963 -1.955 6.379) 7.760 6.790 ( -1.349 2.780 4.617) 5.556 6.849 ( 2.160 3.886 0.639) 4.492 6.867 ( -1.521 2.183 -0.515) 2.710 6.959 ( -3.920 0.461 2.510) 4.677 6.990 ( 1.529 2.432 1.794) 3.387 7.053 ( -6.349 4.736 7.815) 11.127 7.202 ( 2.364 -2.517 4.944) 6.030 7.272 ( 0.794 -1.904 4.102) 4.592 7.354 ( 3.792 -0.756 4.052) 5.601 7.393 ( 1.316 -0.509 6.009) 6.173 7.467 ( -2.124 1.412 8.735) 9.100 7.485 ( -2.898 -1.149 8.441) 8.999 7.584 ( 1.687 1.663 5.028) 5.558 7.656 ( -5.285 -2.147 3.289) 6.585 7.751 ( 0.797 3.545 -7.651) 8.470 7.863 ( -7.972 2.475 -2.530) 8.723 7.933 ( 4.098 0.853 -1.711) 4.522 7.991 ( -1.000 1.337 -1.952) 2.569 8.152 ( 6.008 -4.244 -0.912) 7.412 8.272 ( -4.488 -3.826 -0.488) 5.917 8.359 ( 4.270 3.222 -0.728) 5.398 8.406 ( -1.201 0.249 -1.697) 2.093 8.523 ( 1.793 2.450 -0.771) 3.133 8.587 ( -1.621 1.798 -1.139) 2.675 8.633 ( 2.873 0.135 -2.807) 4.019 8.663 ( 0.634 -1.442 -3.684) 4.006 8.721 ( -0.558 -1.259 -1.242) 1.854 8.730 ( -0.938 -1.172 3.883) 4.163 9.198 ( 3.480 -4.009 6.381) 8.301 9.301 ( -4.360 -7.678 5.733) 10.527 9.496 ( 2.635 1.465 -3.962) 4.979 9.531 ( 0.038 3.110 -6.685) 7.373 9.707 ( 1.866 0.806 -5.193) 5.577 9.757 ( 0.193 1.031 -3.424) 3.581 9.772 ( 0.059 -0.542 0.262) 0.605 9.798 ( 0.094 -0.101 3.911) 3.913 9.873 ( 0.173 2.198 21.814) 21.925 10.000 ( -9.148 -0.816 19.511) 21.565 10.491 ( 0.442 -1.435 -8.851) 8.977 10.527 ( -1.919 -0.871 -7.097) 7.403 10.624 ( 3.559 3.050 -8.434) 9.649 10.685 ( -1.383 1.402 -8.084) 8.321 11.143 ( 0.530 0.710 4.950) 5.029 11.172 ( -1.347 -0.245 5.677) 5.840 11.436 ( 5.218 1.187 35.347) 35.750 11.549 ( 3.466 2.120 2.634) 4.842 11.572 ( -3.386 -1.978 -1.148) 4.086 11.639 ( 3.771 -0.141 1.563) 4.085 11.652 ( 1.325 -1.010 -5.927) 6.157 11.691 ( -2.556 0.387 -2.363) 3.502 11.734 ( -2.283 0.056 -1.140) 2.552 11.948 ( -27.109 -11.751 55.050) 62.478 12.305 ( 0.437 -0.375 15.158) 15.169 12.348 ( -5.739 -3.840 24.874) 25.815 12.616 ( 1.591 -0.540 2.586) 3.084 12.632 ( 0.317 0.593 -1.449) 1.598 12.712 ( -2.574 -2.264 25.786) 26.013 12.753 ( -5.837 -0.922 21.907) 22.690 13.312 ( 1.568 3.488 -2.510) 4.574 13.373 ( -3.100 1.492 -1.330) 3.688 13.511 ( 4.157 0.887 -1.815) 4.622 13.584 ( -1.703 -0.016 -1.062) 2.007 13.727 ( 1.113 -1.795 -8.102) 8.373 13.789 ( -3.662 -2.303 -5.888) 7.306 14.000 ( 2.990 -1.422 -0.154) 3.315 14.063 ( -2.363 -2.547 3.359) 4.833 14.116 ( 1.671 0.673 4.133) 4.508 14.151 ( -1.331 -0.182 4.075) 4.291 14.325 ( -0.125 3.701 1.416) 3.964 14.338 ( -1.223 2.656 1.697) 3.381 14.433 ( 2.457 -0.748 2.391) 3.509 14.493 ( -2.667 -1.286 5.310) 6.079 14.505 ( 2.014 0.700 2.244) 3.096 14.588 ( -5.214 2.064 -0.271) 5.615 14.646 ( 6.088 -5.765 3.219) 8.982 14.782 ( -4.989 -1.479 1.153) 5.330 15.067 ( 9.040 -1.361 -2.222) 9.408 15.246 ( -5.663 -8.570 -1.784) 10.426 15.774 ( 5.397 -7.087 -1.884) 9.105 15.880 ( -1.311 -6.797 0.699) 6.957 16.032 ( 0.869 1.994 -5.919) 6.307 16.141 ( -6.412 0.775 -4.440) 7.838 16.674 ( 5.389 -6.706 -11.339) 14.234 16.745 ( 0.304 -9.632 -12.206) 15.551 17.048 ( 8.406 -0.222 -10.217) 13.232 17.225 ( -5.627 -1.915 -4.797) 7.638 17.377 ( 3.342 -3.195 -4.629) 6.542 17.438 ( 3.853 -6.884 -1.165) 7.974 17.636 ( 11.480 4.246 -2.164) 12.430 17.829 ( -4.486 8.364 -1.449) 9.600 18.106 ( 22.682 -13.975 -7.165) 27.588 18.422 ( -4.366 0.148 -3.592) 5.655 18.605 ( 5.451 -4.088 -7.890) 10.425 18.908 ( -19.215 -18.983 -8.813) 28.412 19.402 ( 2.701 -0.166 0.137) 2.709 19.537 ( -8.506 4.829 8.215) 12.773 20.003 ( 16.428 -2.284 5.115) 17.356 20.192 ( 2.568 -9.732 7.118) 12.327 21.204 ( 3.595 4.466 -12.054) 13.348 21.432 ( -10.621 -4.581 -10.065) 15.333 21.870 ( 4.313 13.328 -14.125) 19.894 22.004 ( -3.013 4.365 -7.219) 8.958 22.058 ( 0.080 -0.523 -3.010) 3.056 22.120 ( -2.267 0.521 -0.208) 2.335 22.257 ( -0.035 1.241 6.709) 6.823 22.318 ( -2.467 -0.055 11.436) 11.699 22.451 ( 6.851 10.831 -14.172) 19.107 22.584 ( -2.568 13.757 -18.949) 23.556 23.037 ( 0.651 0.914 -5.101) 5.223 23.087 ( -2.403 -0.226 -6.430) 6.868 23.762 ( 1.111 -1.558 -2.665) 3.281 23.779 ( 0.170 -2.327 -4.876) 5.406 ======================= Grid point 21 (11/36) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 -14.004 13.596) 19.518 1.409 ( 0.000 14.004 13.596) 19.518 1.542 ( 0.000 -18.195 19.502) 26.672 1.542 ( 0.000 18.195 19.502) 26.672 2.082 ( 0.000 -0.532 -2.501) 2.557 2.082 ( 0.000 0.532 -2.501) 2.557 2.177 ( 0.000 -12.566 -0.616) 12.581 2.177 ( 0.000 12.566 -0.616) 12.581 2.290 ( 0.000 -25.145 16.513) 30.082 2.290 ( 0.000 25.145 16.513) 30.082 2.552 ( 0.000 -16.933 12.676) 21.152 2.552 ( 0.000 16.933 12.676) 21.152 2.791 ( 0.000 -0.967 -4.774) 4.871 2.791 ( 0.000 0.967 -4.774) 4.871 2.951 ( 0.000 -6.620 0.203) 6.623 2.951 ( 0.000 6.620 0.203) 6.623 3.037 ( 0.000 -0.699 -3.417) 3.488 3.037 ( 0.000 0.699 -3.417) 3.488 3.058 ( 0.000 -5.321 2.024) 5.693 3.058 ( 0.000 5.321 2.024) 5.693 3.401 ( 0.000 -6.090 3.279) 6.916 3.401 ( 0.000 6.090 3.279) 6.916 3.420 ( 0.000 -3.494 5.900) 6.857 3.420 ( 0.000 3.494 5.900) 6.857 3.655 ( 0.000 -2.540 17.935) 18.114 3.655 ( 0.000 2.540 17.935) 18.114 3.942 ( 0.000 -0.196 -1.096) 1.113 3.942 ( 0.000 0.196 -1.096) 1.113 4.112 ( 0.000 -0.438 -3.591) 3.617 4.112 ( 0.000 0.438 -3.591) 3.617 4.196 ( 0.000 -2.594 -0.499) 2.641 4.196 ( 0.000 2.594 -0.499) 2.641 4.279 ( 0.000 -1.263 -1.882) 2.267 4.279 ( 0.000 1.263 -1.882) 2.267 4.515 ( 0.000 -1.676 8.367) 8.533 4.515 ( 0.000 1.676 8.367) 8.533 4.681 ( 0.000 -5.556 3.203) 6.413 4.681 ( 0.000 5.556 3.203) 6.413 4.797 ( 0.000 -5.473 1.574) 5.695 4.797 ( 0.000 5.473 1.574) 5.695 4.914 ( 0.000 -0.105 -5.016) 5.017 4.914 ( 0.000 0.105 -5.016) 5.017 5.186 ( 0.000 -4.179 4.220) 5.939 5.186 ( 0.000 4.179 4.220) 5.939 5.223 ( 0.000 -0.561 -4.198) 4.236 5.223 ( 0.000 0.561 -4.198) 4.236 5.390 ( 0.000 -0.200 3.023) 3.029 5.390 ( 0.000 0.200 3.023) 3.029 5.456 ( 0.000 -1.660 4.262) 4.574 5.456 ( 0.000 1.660 4.262) 4.574 5.540 ( 0.000 -0.331 -13.761) 13.765 5.540 ( 0.000 0.331 -13.761) 13.765 5.705 ( 0.000 -5.618 3.643) 6.696 5.705 ( 0.000 5.618 3.643) 6.696 5.858 ( 0.000 -5.497 -1.426) 5.678 5.858 ( 0.000 5.497 -1.426) 5.678 6.112 ( 0.000 -0.733 -4.496) 4.556 6.112 ( 0.000 0.733 -4.496) 4.556 6.304 ( 0.000 -0.542 -3.817) 3.855 6.304 ( 0.000 0.542 -3.817) 3.855 6.368 ( 0.000 -1.421 1.119) 1.809 6.368 ( 0.000 1.421 1.119) 1.809 6.430 ( 0.000 -3.224 -8.600) 9.185 6.430 ( 0.000 3.224 -8.600) 9.185 6.539 ( 0.000 -0.150 0.879) 0.891 6.539 ( 0.000 0.150 0.879) 0.891 6.685 ( 0.000 -4.613 4.145) 6.202 6.685 ( 0.000 4.613 4.145) 6.202 6.892 ( 0.000 -0.064 2.161) 2.162 6.892 ( 0.000 0.064 2.161) 2.162 6.904 ( 0.000 -3.608 4.495) 5.764 6.904 ( 0.000 3.608 4.495) 5.764 7.150 ( 0.000 -6.751 7.816) 10.328 7.150 ( 0.000 6.751 7.816) 10.328 7.270 ( 0.000 -1.536 4.322) 4.587 7.270 ( 0.000 1.536 4.322) 4.587 7.306 ( 0.000 -0.331 6.860) 6.868 7.306 ( 0.000 0.331 6.860) 6.868 7.497 ( 0.000 -2.126 11.184) 11.384 7.497 ( 0.000 2.126 11.184) 11.384 7.695 ( 0.000 -3.763 -1.664) 4.114 7.695 ( 0.000 3.763 -1.664) 4.114 7.810 ( 0.000 -0.526 -1.689) 1.769 7.810 ( 0.000 0.526 -1.689) 1.769 7.907 ( 0.000 -1.765 -3.374) 3.808 7.907 ( 0.000 1.765 -3.374) 3.808 8.261 ( 0.000 -0.047 -4.384) 4.384 8.261 ( 0.000 0.047 -4.384) 4.384 8.329 ( 0.000 -0.909 1.354) 1.631 8.329 ( 0.000 0.909 1.354) 1.631 8.545 ( 0.000 -2.015 4.544) 4.971 8.545 ( 0.000 2.015 4.544) 4.971 8.639 ( 0.000 -0.710 -5.558) 5.603 8.639 ( 0.000 0.710 -5.558) 5.603 8.703 ( 0.000 -0.510 2.151) 2.211 8.703 ( 0.000 0.510 2.151) 2.211 9.172 ( 0.000 -4.149 9.017) 9.926 9.172 ( 0.000 4.149 9.017) 9.926 9.505 ( 0.000 -1.012 -10.197) 10.247 9.505 ( 0.000 1.012 -10.197) 10.247 9.741 ( 0.000 -1.334 -2.847) 3.144 9.741 ( 0.000 1.334 -2.847) 3.144 9.756 ( 0.000 -0.060 8.414) 8.414 9.756 ( 0.000 0.060 8.414) 8.414 10.046 ( 0.000 -6.122 11.349) 12.895 10.046 ( 0.000 6.122 11.349) 12.895 10.530 ( 0.000 -0.002 -8.039) 8.039 10.530 ( 0.000 0.002 -8.039) 8.039 10.643 ( 0.000 -2.525 -7.753) 8.153 10.643 ( 0.000 2.525 -7.753) 8.153 11.180 ( 0.000 -1.379 3.597) 3.852 11.180 ( 0.000 1.379 3.597) 3.852 11.544 ( 0.000 -1.062 -1.169) 1.579 11.544 ( 0.000 1.062 -1.169) 1.579 11.598 ( 0.000 -0.223 -2.570) 2.580 11.598 ( 0.000 0.223 -2.570) 2.580 11.704 ( 0.000 -25.511 64.695) 69.543 11.704 ( 0.000 25.511 64.695) 69.543 11.753 ( 0.000 -0.081 -3.739) 3.740 11.753 ( 0.000 0.081 -3.739) 3.740 12.311 ( 0.000 -1.489 18.125) 18.186 12.311 ( 0.000 1.489 18.125) 18.186 12.591 ( 0.000 -0.866 1.579) 1.801 12.591 ( 0.000 0.866 1.579) 1.801 12.721 ( 0.000 -0.620 17.968) 17.979 12.721 ( 0.000 0.620 17.968) 17.979 13.389 ( 0.000 -2.559 -3.710) 4.507 13.389 ( 0.000 2.559 -3.710) 4.507 13.577 ( 0.000 -8.728 -2.748) 9.151 13.577 ( 0.000 8.728 -2.748) 9.151 13.697 ( 0.000 -6.929 -2.493) 7.364 13.697 ( 0.000 6.929 -2.493) 7.364 14.011 ( 0.000 -3.238 0.051) 3.239 14.011 ( 0.000 3.238 0.051) 3.239 14.148 ( 0.000 -2.327 3.210) 3.965 14.148 ( 0.000 2.327 3.210) 3.965 14.384 ( 0.000 -0.896 1.438) 1.694 14.384 ( 0.000 0.896 1.438) 1.694 14.440 ( 0.000 -3.821 1.088) 3.973 14.440 ( 0.000 3.821 1.088) 3.973 14.500 ( 0.000 -1.330 4.480) 4.674 14.500 ( 0.000 1.330 4.480) 4.674 14.813 ( 0.000 -1.767 -3.026) 3.504 14.813 ( 0.000 1.767 -3.026) 3.504 15.017 ( 0.000 -10.213 4.102) 11.006 15.017 ( 0.000 10.213 4.102) 11.006 15.728 ( 0.000 -3.209 -3.970) 5.105 15.728 ( 0.000 3.209 -3.970) 5.105 16.190 ( 0.000 -3.812 1.064) 3.958 16.190 ( 0.000 3.812 1.064) 3.958 16.560 ( 0.000 -4.734 -16.590) 17.252 16.560 ( 0.000 4.734 -16.590) 17.252 16.929 ( 0.000 -1.863 -1.014) 2.121 16.929 ( 0.000 1.863 -1.014) 2.121 17.293 ( 0.000 -0.138 -8.455) 8.456 17.293 ( 0.000 0.138 -8.455) 8.456 17.694 ( 0.000 -4.338 0.193) 4.342 17.694 ( 0.000 4.338 0.193) 4.342 18.376 ( 0.000 -14.986 -13.568) 20.215 18.376 ( 0.000 14.986 -13.568) 20.215 18.694 ( 0.000 -15.558 -0.840) 15.580 18.694 ( 0.000 15.558 -0.840) 15.580 19.529 ( 0.000 -1.366 3.872) 4.106 19.529 ( 0.000 1.366 3.872) 4.106 19.868 ( 0.000 -5.248 10.546) 11.780 19.868 ( 0.000 5.248 10.546) 11.780 21.415 ( 0.000 -7.826 -12.315) 14.591 21.415 ( 0.000 7.826 -12.315) 14.591 22.021 ( 0.000 -0.234 -0.937) 0.966 22.021 ( 0.000 0.234 -0.937) 0.966 22.145 ( 0.000 -1.605 0.279) 1.629 22.145 ( 0.000 1.605 0.279) 1.629 22.323 ( 0.000 -0.069 3.684) 3.685 22.323 ( 0.000 0.069 3.684) 3.685 22.552 ( 0.000 -2.861 -22.118) 22.302 22.552 ( 0.000 2.861 -22.118) 22.302 23.078 ( 0.000 -1.193 -4.534) 4.689 23.078 ( 0.000 1.193 -4.534) 4.689 23.733 ( 0.000 -0.249 -4.877) 4.884 23.733 ( 0.000 0.249 -4.877) 4.884 ======================= Grid point 23 (12/36) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.750 -0.000 3.431) 3.512 1.372 ( -1.611 0.000 5.457) 5.690 1.576 ( 8.231 0.000 13.273) 15.618 1.754 ( 2.041 0.000 10.552) 10.747 1.850 ( -12.117 0.000 7.950) 14.492 1.892 ( -9.390 0.000 6.499) 11.420 2.011 ( -2.592 0.000 -2.937) 3.917 2.089 ( -6.265 0.000 4.662) 7.809 2.470 ( 7.694 -0.000 22.343) 23.630 2.508 ( 5.590 0.000 13.381) 14.501 2.620 ( 6.238 0.000 8.729) 10.729 2.640 ( 5.531 -0.000 7.502) 9.320 2.804 ( 2.935 0.000 -2.758) 4.028 2.854 ( 1.163 0.000 -4.738) 4.879 2.887 ( -2.326 0.000 -0.263) 2.341 2.940 ( -5.423 0.000 -1.834) 5.725 3.003 ( 2.209 -0.000 1.968) 2.959 3.073 ( 2.524 0.000 -1.397) 2.885 3.076 ( 0.730 0.000 1.471) 1.642 3.135 ( 1.896 0.000 -1.006) 2.146 3.375 ( -0.831 -0.000 2.456) 2.593 3.387 ( -1.390 0.000 0.514) 1.482 3.447 ( 1.598 0.000 8.713) 8.858 3.452 ( 1.107 0.000 7.321) 7.405 3.603 ( -1.725 0.000 18.386) 18.467 3.631 ( -3.102 0.000 21.647) 21.868 3.969 ( 3.314 0.000 0.319) 3.329 3.979 ( 1.911 0.000 0.366) 1.946 4.064 ( -2.561 -0.000 0.951) 2.731 4.070 ( -4.628 0.000 2.392) 5.209 4.128 ( -0.401 0.000 -1.192) 1.258 4.134 ( -1.905 0.000 -0.519) 1.974 4.330 ( 2.133 0.000 -2.370) 3.188 4.395 ( 1.039 0.000 -0.980) 1.428 4.547 ( 4.875 0.000 1.702) 5.163 4.621 ( 5.323 0.000 1.198) 5.456 4.660 ( 0.380 0.000 -4.129) 4.147 4.672 ( 0.902 0.000 4.923) 5.005 4.755 ( -5.330 0.000 -4.802) 7.174 4.770 ( 0.418 0.000 8.521) 8.532 4.807 ( -5.137 0.000 -7.211) 8.854 4.854 ( -5.397 0.000 1.453) 5.589 5.196 ( 1.753 0.000 -4.315) 4.658 5.230 ( -0.561 0.000 -4.194) 4.232 5.281 ( 1.892 0.000 2.062) 2.798 5.283 ( 5.331 -0.000 6.540) 8.438 5.342 ( 0.402 0.000 6.058) 6.071 5.363 ( -5.135 0.000 -1.640) 5.391 5.442 ( 2.564 0.000 0.680) 2.653 5.526 ( 2.643 0.000 -5.046) 5.696 5.531 ( -1.193 0.000 -0.829) 1.453 5.563 ( 1.845 0.000 -0.039) 1.845 5.618 ( -3.474 0.000 1.462) 3.769 5.678 ( -3.361 0.000 3.075) 4.555 5.902 ( 2.583 0.000 -6.567) 7.057 5.913 ( 2.096 0.000 -3.172) 3.802 6.072 ( 0.068 0.000 -8.706) 8.707 6.118 ( -2.316 0.000 -8.695) 8.999 6.250 ( -0.747 0.000 -4.035) 4.103 6.290 ( -4.051 0.000 -7.998) 8.965 6.349 ( 0.883 0.000 -2.503) 2.654 6.378 ( -2.148 0.000 -3.857) 4.415 6.476 ( 6.275 0.000 6.056) 8.720 6.479 ( 6.465 -0.000 0.965) 6.536 6.570 ( 2.699 0.000 3.506) 4.424 6.613 ( 0.460 0.000 -1.512) 1.580 6.657 ( -1.826 0.000 7.183) 7.411 6.721 ( -5.195 0.000 2.045) 5.583 6.848 ( 2.474 0.000 2.407) 3.452 6.882 ( 1.291 0.000 0.605) 1.426 6.913 ( -0.070 0.000 2.070) 2.071 6.941 ( 0.518 -0.000 1.582) 1.665 7.054 ( -0.090 0.000 2.775) 2.776 7.110 ( -6.916 0.000 9.781) 11.979 7.173 ( -1.212 0.000 5.191) 5.331 7.237 ( -4.162 0.000 8.728) 9.670 7.355 ( 2.220 0.000 3.680) 4.298 7.360 ( 0.783 0.000 1.559) 1.744 7.487 ( -2.201 0.000 8.476) 8.757 7.491 ( -1.215 0.000 12.460) 12.519 7.594 ( 1.195 0.000 3.498) 3.696 7.624 ( -3.109 0.000 4.534) 5.498 7.819 ( 1.906 0.000 -7.478) 7.717 7.877 ( -2.061 0.000 -3.423) 3.996 7.946 ( 3.971 0.000 -2.171) 4.526 8.008 ( 0.104 0.000 -1.616) 1.620 8.109 ( 1.606 0.000 -2.274) 2.784 8.215 ( -4.893 0.000 -0.080) 4.893 8.402 ( 1.902 0.000 -4.021) 4.448 8.404 ( 1.512 -0.000 -0.259) 1.534 8.584 ( 3.511 0.000 2.093) 4.087 8.597 ( 2.311 -0.000 0.805) 2.447 8.632 ( -0.299 -0.000 -5.489) 5.497 8.636 ( -0.593 0.000 -7.161) 7.185 8.698 ( 0.767 0.000 2.608) 2.719 8.717 ( -0.269 0.000 2.812) 2.824 9.162 ( 0.484 0.000 5.694) 5.715 9.182 ( -0.471 -0.000 7.781) 7.795 9.513 ( 3.553 0.000 -4.253) 5.541 9.569 ( 0.690 0.000 -7.559) 7.591 9.714 ( 0.810 0.000 -5.495) 5.554 9.761 ( 2.410 0.000 3.631) 4.358 9.778 ( 0.231 -0.000 -3.310) 3.318 9.795 ( 1.258 0.000 5.361) 5.507 9.919 ( -6.099 0.000 23.675) 24.448 9.974 ( -6.838 0.000 17.608) 18.889 10.475 ( -0.153 0.000 -8.087) 8.089 10.517 ( -3.232 0.000 -7.797) 8.441 10.662 ( 3.488 0.000 -7.792) 8.537 10.703 ( 0.547 0.000 -8.071) 8.089 11.156 ( -0.875 0.000 3.886) 3.984 11.165 ( -1.413 0.000 5.465) 5.645 11.500 ( -1.902 -0.000 14.817) 14.938 11.504 ( -3.548 0.000 26.815) 27.049 11.599 ( 2.473 -0.000 5.394) 5.934 11.640 ( 2.051 0.000 -7.275) 7.559 11.654 ( 1.591 0.000 17.149) 17.223 11.684 ( -2.935 0.000 16.604) 16.861 11.727 ( -2.293 0.000 25.394) 25.497 11.739 ( -2.313 0.000 -0.285) 2.330 12.301 ( 0.063 0.000 15.603) 15.603 12.309 ( -0.526 0.000 16.725) 16.734 12.609 ( 1.667 0.000 8.111) 8.281 12.646 ( 0.800 0.000 -1.648) 1.832 12.684 ( 0.892 0.000 21.900) 21.918 12.736 ( -0.997 0.000 13.155) 13.192 13.342 ( -0.385 0.000 -2.905) 2.930 13.379 ( -2.862 0.000 -1.531) 3.246 13.579 ( 3.015 0.000 -4.788) 5.658 13.640 ( -0.271 0.000 -3.703) 3.712 13.669 ( 0.559 0.000 -2.748) 2.804 13.703 ( -0.805 -0.000 -1.869) 2.035 14.006 ( -0.011 0.000 -1.135) 1.135 14.013 ( -0.344 0.000 -0.442) 0.560 14.142 ( 0.123 0.000 3.289) 3.291 14.146 ( -0.059 -0.000 3.711) 3.712 14.363 ( -0.705 0.000 1.128) 1.330 14.374 ( -1.449 0.000 1.572) 2.138 14.449 ( 0.421 0.000 4.360) 4.380 14.462 ( -0.611 -0.000 6.410) 6.439 14.510 ( 3.606 0.000 0.045) 3.606 14.574 ( 6.496 0.000 2.987) 7.150 14.635 ( -7.032 0.000 -2.282) 7.394 14.747 ( -8.072 0.000 3.835) 8.937 15.050 ( 4.748 0.000 -2.149) 5.212 15.106 ( 0.615 0.000 -0.572) 0.840 15.707 ( 2.076 0.000 -3.685) 4.230 15.780 ( -2.428 0.000 -0.032) 2.429 16.064 ( -0.171 0.000 -6.659) 6.661 16.140 ( -4.587 0.000 -3.674) 5.877 16.584 ( 5.016 0.000 -15.922) 16.693 16.651 ( -0.629 0.000 -15.356) 15.369 17.040 ( 8.976 0.000 -5.794) 10.683 17.193 ( -2.246 0.000 1.566) 2.738 17.341 ( 3.049 0.000 -4.573) 5.496 17.360 ( 8.556 0.000 -3.399) 9.206 17.697 ( 14.964 0.000 -4.931) 15.755 17.866 ( 7.847 0.000 2.545) 8.250 18.185 ( -9.107 0.000 -9.476) 13.143 18.319 ( -20.364 0.000 -5.686) 21.143 18.529 ( 7.199 -0.000 -12.318) 14.267 18.714 ( -7.453 0.000 -6.401) 9.825 19.397 ( 4.540 0.000 5.556) 7.175 19.585 ( -9.826 0.000 12.362) 15.791 19.970 ( 13.999 0.000 3.854) 14.520 20.073 ( 4.943 0.000 9.150) 10.400 21.288 ( -3.366 0.000 -12.044) 12.506 21.362 ( -7.498 0.000 -9.305) 11.950 21.972 ( 1.615 0.000 -5.556) 5.786 22.046 ( -2.898 0.000 -5.750) 6.439 22.062 ( -0.593 0.000 -1.933) 2.022 22.134 ( -5.554 0.000 -1.610) 5.783 22.271 ( 1.194 0.000 11.292) 11.355 22.303 ( -1.812 0.000 9.612) 9.781 22.607 ( 10.029 0.000 -21.511) 23.734 22.738 ( 1.008 0.000 -20.889) 20.913 23.052 ( 0.375 0.000 -5.984) 5.996 23.083 ( -1.079 0.000 -7.342) 7.421 23.742 ( 0.718 -0.000 -4.203) 4.263 23.747 ( 0.467 0.000 -4.202) 4.228 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 0.000 29.973) 29.973 1.441 ( 0.000 0.000 31.178) 31.178 1.829 ( 0.000 0.000 -8.541) 8.541 1.899 ( 0.000 0.000 14.572) 14.572 2.088 ( 0.000 0.000 30.785) 30.785 2.231 ( 0.000 0.000 2.458) 2.458 2.342 ( 0.000 0.000 12.218) 12.218 2.385 ( 0.000 0.000 6.060) 6.060 2.523 ( 0.000 0.000 22.853) 22.853 2.646 ( 0.000 0.000 4.007) 4.007 2.724 ( 0.000 0.000 9.167) 9.167 2.750 ( 0.000 0.000 8.526) 8.526 2.795 ( 0.000 0.000 -0.753) 0.753 2.928 ( 0.000 0.000 20.405) 20.405 3.024 ( 0.000 0.000 7.285) 7.285 3.112 ( 0.000 0.000 -2.733) 2.733 3.185 ( 0.000 0.000 -3.307) 3.307 3.305 ( 0.000 0.000 2.654) 2.654 3.334 ( 0.000 0.000 -0.477) 0.477 3.354 ( 0.000 0.000 4.710) 4.710 3.480 ( 0.000 0.000 9.556) 9.556 3.547 ( 0.000 0.000 -0.770) 0.770 3.595 ( 0.000 0.000 2.329) 2.329 3.668 ( 0.000 0.000 -2.133) 2.133 3.803 ( 0.000 0.000 3.192) 3.192 3.877 ( 0.000 0.000 2.347) 2.347 3.923 ( 0.000 0.000 -0.814) 0.814 3.941 ( 0.000 0.000 -2.205) 2.205 3.971 ( 0.000 0.000 -6.924) 6.924 4.076 ( 0.000 0.000 4.355) 4.355 4.150 ( 0.000 0.000 -0.595) 0.595 4.177 ( 0.000 0.000 -6.499) 6.499 4.223 ( 0.000 0.000 13.448) 13.448 4.539 ( 0.000 0.000 8.139) 8.139 4.553 ( 0.000 0.000 -1.544) 1.544 4.589 ( 0.000 0.000 1.899) 1.899 4.735 ( 0.000 0.000 1.109) 1.109 4.782 ( 0.000 0.000 13.736) 13.736 4.854 ( 0.000 0.000 2.061) 2.061 4.862 ( 0.000 0.000 8.197) 8.197 4.868 ( 0.000 0.000 -12.354) 12.354 4.991 ( 0.000 0.000 2.312) 2.312 5.006 ( 0.000 0.000 -0.292) 0.292 5.057 ( 0.000 0.000 6.803) 6.803 5.126 ( 0.000 0.000 0.579) 0.579 5.214 ( 0.000 0.000 4.178) 4.178 5.239 ( 0.000 0.000 3.986) 3.986 5.467 ( 0.000 0.000 6.702) 6.702 5.481 ( 0.000 0.000 2.644) 2.644 5.494 ( 0.000 0.000 5.477) 5.477 5.541 ( 0.000 0.000 3.134) 3.134 5.619 ( 0.000 0.000 0.655) 0.655 5.727 ( 0.000 0.000 4.864) 4.864 5.832 ( 0.000 0.000 10.253) 10.253 5.888 ( 0.000 0.000 5.077) 5.077 5.923 ( 0.000 0.000 -17.545) 17.545 5.970 ( 0.000 0.000 2.548) 2.548 5.993 ( 0.000 0.000 -6.166) 6.166 6.006 ( 0.000 0.000 -3.727) 3.727 6.057 ( 0.000 0.000 -11.364) 11.364 6.179 ( 0.000 0.000 -0.278) 0.278 6.350 ( 0.000 0.000 -0.717) 0.717 6.482 ( 0.000 0.000 2.972) 2.972 6.539 ( 0.000 0.000 5.147) 5.147 6.560 ( 0.000 0.000 0.574) 0.574 6.693 ( 0.000 0.000 2.268) 2.268 6.737 ( 0.000 0.000 7.233) 7.233 6.833 ( 0.000 0.000 -3.123) 3.123 6.842 ( 0.000 0.000 7.796) 7.796 6.905 ( 0.000 0.000 -1.530) 1.530 6.933 ( 0.000 0.000 6.805) 6.805 7.148 ( 0.000 0.000 -0.501) 0.501 7.158 ( 0.000 0.000 10.373) 10.373 7.191 ( 0.000 0.000 4.797) 4.797 7.195 ( 0.000 0.000 2.172) 2.172 7.291 ( 0.000 0.000 14.621) 14.621 7.297 ( 0.000 0.000 -8.319) 8.319 7.404 ( 0.000 0.000 1.725) 1.725 7.457 ( 0.000 0.000 -13.260) 13.260 7.595 ( 0.000 0.000 -1.967) 1.967 7.675 ( 0.000 0.000 6.598) 6.598 7.716 ( 0.000 0.000 6.172) 6.172 7.850 ( 0.000 0.000 -5.911) 5.911 7.922 ( 0.000 0.000 -3.668) 3.668 7.923 ( 0.000 0.000 9.208) 9.208 8.026 ( 0.000 0.000 -6.962) 6.962 8.079 ( 0.000 0.000 2.564) 2.564 8.091 ( 0.000 0.000 6.739) 6.739 8.253 ( 0.000 0.000 -7.289) 7.289 8.453 ( 0.000 0.000 -8.680) 8.680 8.464 ( 0.000 0.000 -5.278) 5.278 8.465 ( 0.000 0.000 0.977) 0.977 8.520 ( 0.000 0.000 -0.406) 0.406 8.714 ( 0.000 0.000 3.216) 3.216 8.767 ( 0.000 0.000 6.111) 6.111 8.887 ( 0.000 0.000 7.700) 7.700 9.172 ( 0.000 0.000 -20.366) 20.366 9.291 ( 0.000 0.000 -8.215) 8.215 9.330 ( 0.000 0.000 5.379) 5.379 9.572 ( 0.000 0.000 -6.616) 6.616 9.578 ( 0.000 0.000 -4.711) 4.711 9.605 ( 0.000 0.000 4.165) 4.165 9.803 ( 0.000 0.000 1.304) 1.304 9.921 ( 0.000 0.000 4.768) 4.768 10.042 ( 0.000 0.000 2.088) 2.088 10.206 ( 0.000 0.000 -5.804) 5.804 10.295 ( 0.000 0.000 -13.099) 13.099 10.320 ( 0.000 0.000 2.264) 2.264 10.463 ( 0.000 0.000 -5.105) 5.105 10.468 ( 0.000 0.000 -15.374) 15.374 11.130 ( 0.000 0.000 -5.861) 5.861 11.230 ( 0.000 0.000 -7.447) 7.447 11.361 ( 0.000 0.000 -8.484) 8.484 11.496 ( 0.000 0.000 -10.009) 10.009 11.528 ( 0.000 0.000 -9.099) 9.099 11.625 ( 0.000 0.000 11.974) 11.974 11.642 ( 0.000 0.000 8.720) 8.720 11.676 ( 0.000 0.000 -9.051) 9.051 12.289 ( 0.000 0.000 45.610) 45.610 12.550 ( 0.000 0.000 18.704) 18.704 12.561 ( 0.000 0.000 -2.461) 2.461 12.576 ( 0.000 0.000 0.850) 0.850 12.703 ( 0.000 0.000 28.446) 28.446 12.901 ( 0.000 0.000 15.852) 15.852 13.129 ( 0.000 0.000 -5.946) 5.946 13.271 ( 0.000 0.000 22.228) 22.228 13.313 ( 0.000 0.000 -2.056) 2.056 13.384 ( 0.000 0.000 -4.649) 4.649 13.485 ( 0.000 0.000 -9.497) 9.497 13.507 ( 0.000 0.000 0.981) 0.981 13.722 ( 0.000 0.000 -13.772) 13.772 13.864 ( 0.000 0.000 -2.284) 2.284 14.154 ( 0.000 0.000 4.924) 4.924 14.235 ( 0.000 0.000 8.538) 8.538 14.269 ( 0.000 0.000 -3.360) 3.360 14.293 ( 0.000 0.000 6.268) 6.268 14.401 ( 0.000 0.000 1.734) 1.734 14.416 ( 0.000 0.000 5.265) 5.265 14.442 ( 0.000 0.000 0.125) 0.125 14.525 ( 0.000 0.000 1.613) 1.613 14.640 ( 0.000 0.000 7.098) 7.098 14.673 ( 0.000 0.000 -4.006) 4.006 14.789 ( 0.000 0.000 -0.017) 0.017 14.835 ( 0.000 0.000 1.187) 1.187 15.325 ( 0.000 0.000 -5.270) 5.270 15.724 ( 0.000 0.000 -1.941) 1.941 15.732 ( 0.000 0.000 7.346) 7.346 15.852 ( 0.000 0.000 -12.470) 12.470 16.041 ( 0.000 0.000 -8.164) 8.164 16.084 ( 0.000 0.000 3.796) 3.796 16.482 ( 0.000 0.000 -10.181) 10.181 16.489 ( 0.000 0.000 -20.893) 20.893 16.877 ( 0.000 0.000 -30.261) 30.261 17.099 ( 0.000 0.000 1.303) 1.303 17.236 ( 0.000 0.000 -7.018) 7.018 17.393 ( 0.000 0.000 -3.896) 3.896 17.429 ( 0.000 0.000 -2.659) 2.659 17.820 ( 0.000 0.000 1.097) 1.097 18.302 ( 0.000 0.000 -1.233) 1.233 18.380 ( 0.000 0.000 2.558) 2.558 18.415 ( 0.000 0.000 -6.706) 6.706 19.104 ( 0.000 0.000 -15.805) 15.805 19.128 ( 0.000 0.000 7.124) 7.124 19.695 ( 0.000 0.000 6.960) 6.960 19.835 ( 0.000 0.000 9.156) 9.156 20.181 ( 0.000 0.000 -0.404) 0.404 20.719 ( 0.000 0.000 9.126) 9.126 20.966 ( 0.000 0.000 -11.196) 11.196 21.682 ( 0.000 0.000 -23.320) 23.320 21.868 ( 0.000 0.000 -7.348) 7.348 21.885 ( 0.000 0.000 1.079) 1.079 22.016 ( 0.000 0.000 -4.870) 4.870 22.043 ( 0.000 0.000 -13.588) 13.588 22.288 ( 0.000 0.000 -0.872) 0.872 22.497 ( 0.000 0.000 9.432) 9.432 22.619 ( 0.000 0.000 12.832) 12.832 22.918 ( 0.000 0.000 -8.911) 8.911 22.959 ( 0.000 0.000 -10.161) 10.161 23.559 ( 0.000 0.000 -13.548) 13.548 23.715 ( 0.000 0.000 -5.939) 5.939 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -4.144 0.000 29.938) 30.223 1.383 ( 11.355 0.000 25.490) 27.905 1.470 ( -18.014 0.000 10.287) 20.744 1.690 ( -14.114 0.000 18.299) 23.110 2.278 ( 6.676 0.000 20.668) 21.719 2.302 ( 5.457 0.000 2.949) 6.203 2.403 ( -3.719 0.000 16.399) 16.815 2.409 ( -1.998 0.000 4.208) 4.658 2.581 ( 10.945 0.000 11.994) 16.237 2.690 ( 4.208 0.000 2.566) 4.928 2.728 ( -1.030 0.000 11.179) 11.226 2.778 ( -2.426 0.000 -0.444) 2.467 2.806 ( 3.658 0.000 4.258) 5.613 2.914 ( -3.261 0.000 16.592) 16.909 3.085 ( 5.747 0.000 6.828) 8.925 3.121 ( 0.821 0.000 -2.644) 2.768 3.154 ( -1.754 0.000 -2.820) 3.321 3.247 ( -6.291 0.000 4.581) 7.782 3.332 ( 3.003 0.000 5.864) 6.588 3.415 ( -3.619 0.000 6.901) 7.792 3.435 ( 5.133 0.000 1.899) 5.473 3.550 ( -4.078 0.000 2.367) 4.715 3.644 ( 4.678 0.000 0.863) 4.757 3.695 ( 0.334 0.000 -1.488) 1.525 3.813 ( 1.045 0.000 2.656) 2.855 3.850 ( -1.932 0.000 2.384) 3.069 3.949 ( 2.548 0.000 0.390) 2.577 3.957 ( 2.216 0.000 -1.302) 2.570 4.005 ( -0.034 0.000 -2.611) 2.612 4.028 ( -3.665 0.000 2.809) 4.618 4.166 ( 3.968 0.000 -2.998) 4.973 4.263 ( 2.164 0.000 -2.118) 3.028 4.306 ( 7.296 0.000 12.643) 14.597 4.484 ( -3.580 0.000 7.613) 8.413 4.525 ( 0.750 0.000 -0.165) 0.768 4.584 ( -3.033 0.000 1.325) 3.310 4.691 ( -6.545 0.000 12.354) 13.981 4.729 ( -6.363 0.000 1.815) 6.617 4.765 ( 3.635 0.000 -0.881) 3.740 4.854 ( -2.877 0.000 -4.986) 5.757 4.901 ( 3.547 0.000 4.433) 5.677 4.978 ( 0.601 0.000 -1.332) 1.461 4.992 ( -3.018 0.000 2.341) 3.819 5.024 ( -2.957 0.000 -0.778) 3.058 5.140 ( 2.851 0.000 6.331) 6.943 5.203 ( -1.842 0.000 4.713) 5.060 5.331 ( 6.513 0.000 2.829) 7.101 5.437 ( -1.893 0.000 5.096) 5.437 5.521 ( 2.636 0.000 3.602) 4.464 5.537 ( 1.426 0.000 3.496) 3.775 5.587 ( 3.909 0.000 2.992) 4.923 5.655 ( 0.796 0.000 1.168) 1.413 5.694 ( -4.073 0.000 6.214) 7.430 5.757 ( -8.724 0.000 5.908) 10.537 5.806 ( 0.757 0.000 3.920) 3.993 5.866 ( -2.570 0.000 -2.929) 3.897 5.880 ( 1.611 0.000 -10.785) 10.904 5.960 ( -3.524 0.000 -7.151) 7.972 6.096 ( 7.297 0.000 -1.535) 7.456 6.209 ( 4.875 0.000 -7.775) 9.177 6.245 ( 1.602 0.000 -6.021) 6.231 6.291 ( -9.556 0.000 1.004) 9.609 6.413 ( 6.245 0.000 0.414) 6.259 6.598 ( -8.001 0.000 1.455) 8.132 6.631 ( 5.619 0.000 -0.415) 5.634 6.720 ( 7.581 0.000 3.627) 8.404 6.740 ( -1.891 0.000 4.238) 4.641 6.813 ( -1.538 0.000 -0.455) 1.604 6.880 ( 4.493 0.000 9.173) 10.214 6.902 ( 1.167 0.000 7.799) 7.886 6.970 ( 2.755 0.000 -1.215) 3.011 7.005 ( -5.714 0.000 5.091) 7.653 7.076 ( -6.534 0.000 11.793) 13.482 7.080 ( -4.541 0.000 3.960) 6.025 7.232 ( -0.345 0.000 -5.576) 5.586 7.304 ( -3.865 0.000 -4.988) 6.310 7.439 ( 8.426 0.000 6.784) 10.818 7.481 ( 7.502 0.000 0.975) 7.565 7.553 ( 9.675 0.000 -3.469) 10.278 7.574 ( -2.009 0.000 1.479) 2.495 7.636 ( -4.311 0.000 4.573) 6.285 7.695 ( -1.273 0.000 5.655) 5.796 7.766 ( -7.223 0.000 2.955) 7.804 7.778 ( -8.982 0.000 -1.478) 9.103 7.943 ( -0.246 0.000 2.383) 2.396 7.951 ( 0.687 0.000 4.091) 4.149 8.153 ( 6.548 0.000 -8.400) 10.651 8.245 ( -1.196 0.000 -7.581) 7.675 8.289 ( 7.376 0.000 3.035) 7.976 8.418 ( -4.017 0.000 1.470) 4.277 8.421 ( -1.712 0.000 -5.747) 5.996 8.429 ( -2.329 0.000 -6.930) 7.311 8.566 ( 3.476 0.000 -0.686) 3.543 8.652 ( -3.756 0.000 0.937) 3.871 8.814 ( 2.633 0.000 7.286) 7.747 8.867 ( -1.773 0.000 7.492) 7.699 9.190 ( 1.847 0.000 -18.218) 18.312 9.250 ( -2.913 0.000 -12.799) 13.126 9.399 ( 5.425 0.000 5.348) 7.618 9.534 ( -5.490 0.000 4.703) 7.229 9.578 ( 1.666 0.000 -4.282) 4.594 9.610 ( 0.027 0.000 -5.281) 5.281 9.821 ( 2.249 0.000 3.142) 3.864 9.889 ( -2.721 0.000 4.652) 5.390 10.090 ( 3.653 0.000 1.159) 3.833 10.173 ( -2.957 0.000 -2.019) 3.581 10.333 ( 3.129 0.000 -14.136) 14.478 10.361 ( 3.256 0.000 -1.938) 3.789 10.418 ( -3.783 0.000 -15.281) 15.742 10.434 ( -2.541 0.000 -4.808) 5.438 11.157 ( 2.138 0.000 -5.707) 6.095 11.207 ( -1.885 0.000 -6.741) 7.000 11.395 ( 2.713 0.000 -8.772) 9.182 11.462 ( -2.690 0.000 -9.518) 9.891 11.570 ( 3.225 0.000 -9.396) 9.935 11.630 ( 0.490 0.000 10.527) 10.538 11.641 ( -0.267 0.000 9.529) 9.533 11.643 ( -2.675 0.000 -9.295) 9.673 12.409 ( 8.346 0.000 34.551) 35.545 12.531 ( -2.216 0.000 19.809) 19.932 12.564 ( 0.273 0.000 -1.771) 1.791 12.571 ( -0.349 0.000 -0.167) 0.386 12.772 ( 6.584 0.000 30.991) 31.682 12.892 ( -1.708 0.000 17.752) 17.834 13.179 ( 3.975 0.000 -4.700) 6.155 13.260 ( 3.101 0.000 26.076) 26.260 13.273 ( -3.468 0.000 -2.795) 4.454 13.407 ( -2.165 0.000 1.806) 2.819 13.514 ( 2.720 0.000 -9.735) 10.108 13.525 ( 3.891 0.000 6.235) 7.349 13.611 ( -5.675 0.000 -10.858) 12.252 13.926 ( -31.678 0.000 22.568) 38.895 13.998 ( 7.646 0.000 -3.891) 8.579 14.133 ( -3.105 0.000 1.107) 3.296 14.265 ( 0.659 0.000 -1.108) 1.289 14.268 ( 1.934 0.000 8.297) 8.519 14.327 ( -3.071 0.000 7.759) 8.344 14.329 ( -4.657 0.000 2.237) 5.167 14.486 ( 2.185 0.000 2.108) 3.037 14.552 ( -4.267 0.000 0.636) 4.314 14.584 ( 3.288 0.000 3.546) 4.836 14.642 ( -0.946 0.000 6.099) 6.172 14.831 ( 0.739 0.000 6.087) 6.132 15.006 ( -21.662 0.000 25.337) 33.335 15.012 ( 11.942 0.000 -3.631) 12.482 15.241 ( -7.347 0.000 -5.138) 8.965 15.870 ( 3.335 0.000 -3.031) 4.507 15.874 ( 2.303 0.000 -9.196) 9.480 15.965 ( -4.883 0.000 -6.826) 8.393 15.972 ( -6.251 0.000 -2.655) 6.792 16.611 ( 9.665 0.000 -10.077) 13.963 16.645 ( 9.629 0.000 -20.773) 22.896 16.821 ( -5.167 0.000 -27.031) 27.520 16.864 ( -12.385 0.000 -6.843) 14.150 17.280 ( 3.705 0.000 -5.451) 6.591 17.379 ( -4.092 0.000 -2.928) 5.032 17.520 ( 11.189 0.000 -0.020) 11.189 17.781 ( -9.496 0.000 1.848) 9.674 18.310 ( 1.205 0.000 -3.149) 3.372 18.367 ( -3.316 0.000 -5.828) 6.705 18.743 ( 18.010 0.000 -15.786) 23.949 19.022 ( -7.450 0.000 -16.531) 18.132 19.217 ( 7.309 0.000 7.809) 10.696 19.436 ( -11.789 0.000 8.580) 14.581 20.152 ( 16.401 0.000 6.232) 17.545 20.499 ( -13.818 0.000 4.998) 14.694 20.737 ( 36.961 0.000 -15.941) 40.252 21.192 ( 14.136 0.000 -6.219) 15.444 21.441 ( -21.945 0.000 -25.016) 33.277 21.536 ( -15.702 0.000 -4.709) 16.392 21.983 ( 1.979 0.000 -6.171) 6.481 22.060 ( -2.686 0.000 -7.215) 7.699 22.133 ( 8.486 0.000 -2.167) 8.758 22.258 ( -2.940 0.000 -1.542) 3.320 22.523 ( 2.249 0.000 10.783) 11.015 22.586 ( -2.666 0.000 12.401) 12.684 22.881 ( -0.190 0.000 -9.415) 9.417 22.926 ( -2.739 0.000 -10.238) 10.598 23.631 ( 4.196 0.000 -11.396) 12.144 23.698 ( -1.664 0.000 -7.625) 7.804 ======================= Grid point 33 (15/36) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 13.954 23.267) 27.130 1.531 ( 0.000 8.076 27.227) 28.399 1.866 ( 0.000 3.038 -7.299) 7.906 1.891 ( 0.000 -0.038 11.648) 11.649 2.124 ( 0.000 -4.385 3.976) 5.920 2.268 ( 0.000 0.974 16.109) 16.139 2.352 ( 0.000 8.305 21.889) 23.412 2.397 ( 0.000 -16.142 10.306) 19.152 2.441 ( 0.000 -0.649 6.367) 6.400 2.591 ( 0.000 10.247 20.046) 22.513 2.608 ( 0.000 -15.059 10.063) 18.112 2.747 ( 0.000 5.186 2.909) 5.946 2.850 ( 0.000 7.093 10.469) 12.646 2.885 ( 0.000 0.393 -0.309) 0.499 3.052 ( 0.000 -11.466 -0.465) 11.475 3.064 ( 0.000 -5.419 1.628) 5.659 3.122 ( 0.000 -5.146 -0.165) 5.149 3.207 ( 0.000 -10.904 0.281) 10.907 3.238 ( 0.000 -10.767 8.134) 13.494 3.268 ( 0.000 2.924 9.957) 10.377 3.330 ( 0.000 -1.147 2.461) 2.715 3.503 ( 0.000 -3.453 0.285) 3.465 3.614 ( 0.000 -4.064 4.784) 6.277 3.628 ( 0.000 0.934 4.727) 4.819 3.891 ( 0.000 2.615 1.183) 2.870 3.891 ( 0.000 0.481 3.857) 3.887 3.964 ( 0.000 2.408 2.349) 3.364 3.987 ( 0.000 1.197 2.470) 2.745 4.015 ( 0.000 2.061 -1.111) 2.341 4.128 ( 0.000 1.518 0.902) 1.766 4.163 ( 0.000 2.057 1.556) 2.579 4.179 ( 0.000 4.627 -0.595) 4.665 4.240 ( 0.000 2.085 8.873) 9.115 4.465 ( 0.000 -5.611 13.449) 14.572 4.584 ( 0.000 -0.121 5.047) 5.049 4.634 ( 0.000 -0.455 -3.923) 3.949 4.642 ( 0.000 -0.662 0.357) 0.752 4.754 ( 0.000 0.462 2.732) 2.771 4.810 ( 0.000 0.995 5.945) 6.028 4.862 ( 0.000 -6.515 3.827) 7.556 4.901 ( 0.000 3.841 3.063) 4.913 5.019 ( 0.000 0.202 1.699) 1.711 5.094 ( 0.000 7.130 -8.592) 11.165 5.103 ( 0.000 1.872 -0.287) 1.894 5.191 ( 0.000 4.002 -1.591) 4.307 5.213 ( 0.000 0.431 0.791) 0.901 5.235 ( 0.000 0.806 6.884) 6.931 5.446 ( 0.000 -3.837 3.202) 4.998 5.488 ( 0.000 1.842 4.959) 5.290 5.514 ( 0.000 0.987 6.666) 6.739 5.519 ( 0.000 -0.555 2.864) 2.918 5.602 ( 0.000 -1.782 -0.021) 1.782 5.747 ( 0.000 1.754 -0.890) 1.967 5.837 ( 0.000 0.440 8.804) 8.815 5.876 ( 0.000 -1.382 2.866) 3.182 5.916 ( 0.000 -3.894 -0.369) 3.912 5.934 ( 0.000 1.906 -12.068) 12.218 6.014 ( 0.000 -0.046 0.230) 0.234 6.083 ( 0.000 6.555 -6.176) 9.006 6.086 ( 0.000 2.342 -9.678) 9.957 6.173 ( 0.000 -0.619 -1.158) 1.313 6.356 ( 0.000 -1.225 -2.731) 2.993 6.416 ( 0.000 -2.537 3.724) 4.506 6.520 ( 0.000 -1.963 3.242) 3.790 6.571 ( 0.000 0.642 1.522) 1.652 6.629 ( 0.000 -3.024 4.569) 5.479 6.743 ( 0.000 0.925 6.799) 6.861 6.827 ( 0.000 -0.451 -0.847) 0.960 6.893 ( 0.000 0.245 -0.339) 0.419 6.927 ( 0.000 3.941 5.219) 6.540 6.930 ( 0.000 -2.390 3.138) 3.945 7.112 ( 0.000 -3.731 7.061) 7.986 7.180 ( 0.000 2.620 8.069) 8.484 7.197 ( 0.000 3.413 0.207) 3.419 7.274 ( 0.000 4.931 -0.245) 4.937 7.318 ( 0.000 3.282 -4.096) 5.248 7.358 ( 0.000 2.151 7.501) 7.803 7.418 ( 0.000 0.929 5.305) 5.386 7.485 ( 0.000 3.111 -11.380) 11.798 7.635 ( 0.000 -2.229 1.439) 2.653 7.642 ( 0.000 3.676 -1.876) 4.127 7.741 ( 0.000 0.028 9.208) 9.208 7.838 ( 0.000 -2.066 -6.469) 6.791 7.875 ( 0.000 -4.557 5.044) 6.797 7.887 ( 0.000 -0.771 0.847) 1.146 7.963 ( 0.000 -2.850 3.408) 4.443 8.114 ( 0.000 2.490 -0.928) 2.658 8.142 ( 0.000 2.278 -1.174) 2.563 8.276 ( 0.000 1.665 -5.164) 5.425 8.393 ( 0.000 -3.544 -2.609) 4.401 8.459 ( 0.000 0.015 -5.904) 5.904 8.485 ( 0.000 0.244 -5.094) 5.100 8.544 ( 0.000 2.093 0.764) 2.228 8.683 ( 0.000 -2.713 3.033) 4.070 8.770 ( 0.000 0.487 6.237) 6.256 8.855 ( 0.000 -2.551 7.386) 7.814 9.193 ( 0.000 1.844 -18.849) 18.939 9.283 ( 0.000 -1.267 -10.051) 10.131 9.318 ( 0.000 0.122 7.109) 7.110 9.487 ( 0.000 -5.771 4.325) 7.211 9.600 ( 0.000 1.598 -5.134) 5.377 9.628 ( 0.000 0.703 -4.398) 4.454 9.825 ( 0.000 1.763 2.446) 3.015 9.906 ( 0.000 -1.337 5.067) 5.240 10.080 ( 0.000 3.015 0.359) 3.036 10.192 ( 0.000 -1.290 -4.988) 5.152 10.320 ( 0.000 2.110 -13.360) 13.526 10.345 ( 0.000 1.954 -0.340) 1.983 10.449 ( 0.000 -1.594 -15.301) 15.384 10.453 ( 0.000 -0.963 -5.640) 5.721 11.141 ( 0.000 1.013 -6.332) 6.413 11.210 ( 0.000 -1.577 -7.788) 7.946 11.380 ( 0.000 1.673 -8.335) 8.501 11.475 ( 0.000 -1.760 -9.095) 9.264 11.556 ( 0.000 2.136 -8.039) 8.318 11.624 ( 0.000 0.085 9.698) 9.698 11.627 ( 0.000 -1.137 6.884) 6.977 11.665 ( 0.000 -0.978 -7.208) 7.274 12.401 ( 0.000 8.393 36.936) 37.878 12.543 ( 0.000 -0.623 15.430) 15.443 12.565 ( 0.000 0.574 -0.248) 0.625 12.582 ( 0.000 0.348 4.121) 4.136 12.769 ( 0.000 7.505 35.699) 36.480 12.921 ( 0.000 1.602 16.312) 16.390 13.164 ( 0.000 1.440 3.419) 3.710 13.213 ( 0.000 1.173 8.814) 8.892 13.346 ( 0.000 -3.094 -5.533) 6.339 13.417 ( 0.000 4.759 2.419) 5.339 13.490 ( 0.000 -0.019 -7.694) 7.694 13.535 ( 0.000 3.246 0.876) 3.362 13.679 ( 0.000 -4.062 -11.432) 12.133 13.915 ( 0.000 4.459 -0.870) 4.543 14.123 ( 0.000 -10.162 6.993) 12.335 14.175 ( 0.000 1.813 4.768) 5.101 14.247 ( 0.000 -1.220 7.128) 7.231 14.294 ( 0.000 -5.804 -1.437) 5.979 14.405 ( 0.000 0.593 0.932) 1.104 14.426 ( 0.000 0.042 3.696) 3.696 14.463 ( 0.000 -2.518 6.846) 7.294 14.486 ( 0.000 2.860 1.162) 3.088 14.629 ( 0.000 -0.397 9.655) 9.663 14.678 ( 0.000 -0.216 -2.075) 2.086 14.732 ( 0.000 -1.556 -1.001) 1.850 14.935 ( 0.000 5.929 2.132) 6.301 15.215 ( 0.000 -9.331 2.470) 9.653 15.603 ( 0.000 -47.170 29.454) 55.610 15.676 ( 0.000 -1.880 1.798) 2.601 15.752 ( 0.000 -1.003 1.717) 1.989 15.990 ( 0.000 9.311 -6.657) 11.446 16.038 ( 0.000 1.958 -11.529) 11.694 16.356 ( 0.000 -7.238 -15.541) 17.144 16.456 ( 0.000 -18.425 -4.881) 19.061 16.586 ( 0.000 4.815 -16.695) 17.376 16.939 ( 0.000 -10.458 -18.317) 21.093 17.277 ( 0.000 -4.963 -2.276) 5.460 17.328 ( 0.000 -14.879 14.734) 20.939 17.550 ( 0.000 5.589 -3.576) 6.635 17.591 ( 0.000 7.875 -11.073) 13.588 17.880 ( 0.000 5.909 1.988) 6.235 18.384 ( 0.000 -3.713 -6.882) 7.819 18.515 ( 0.000 5.260 1.859) 5.579 18.936 ( 0.000 -13.499 -10.699) 17.225 19.488 ( 0.000 6.454 0.500) 6.474 19.761 ( 0.000 -6.313 6.782) 9.265 19.907 ( 0.000 10.916 4.784) 11.918 20.139 ( 0.000 -3.108 3.631) 4.780 21.021 ( 0.000 4.765 -12.190) 13.088 21.076 ( 0.000 17.072 -11.621) 20.652 21.707 ( 0.000 7.854 -20.236) 21.707 21.926 ( 0.000 2.280 -2.346) 3.271 21.935 ( 0.000 4.765 -12.361) 13.247 22.001 ( 0.000 -1.194 -5.093) 5.231 22.078 ( 0.000 2.283 -12.962) 13.161 22.250 ( 0.000 -4.005 -2.218) 4.578 22.515 ( 0.000 1.603 9.820) 9.950 22.602 ( 0.000 -1.513 12.168) 12.262 22.920 ( 0.000 0.260 -8.919) 8.923 22.952 ( 0.000 -0.677 -9.865) 9.889 23.559 ( 0.000 0.346 -12.058) 12.063 23.669 ( 0.000 -3.606 -6.615) 7.534 ======================= Grid point 34 (16/36) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -2.750 7.209 24.090) 25.295 1.505 ( -15.403 3.561 10.029) 18.722 1.562 ( 6.818 12.934 20.462) 25.149 1.794 ( -11.137 8.691 13.547) 19.573 2.162 ( 2.470 -7.140 8.584) 11.435 2.223 ( -2.444 -7.684 12.399) 14.790 2.414 ( 1.076 -11.925 14.351) 18.690 2.442 ( -0.151 -0.232 11.842) 11.845 2.586 ( 3.446 -2.028 4.921) 6.341 2.615 ( 9.040 2.514 10.484) 14.070 2.659 ( 1.789 -0.443 5.369) 5.676 2.781 ( 0.706 4.963 2.627) 5.659 2.842 ( 1.195 3.925 9.397) 10.253 2.904 ( -1.146 4.247 4.143) 6.043 3.025 ( 0.874 -13.227 2.508) 13.491 3.061 ( -1.141 -6.530 0.910) 6.691 3.118 ( -0.078 -4.009 -1.538) 4.295 3.152 ( -2.050 -8.795 2.790) 9.452 3.271 ( 0.854 1.929 9.223) 9.462 3.303 ( -0.859 -6.873 5.336) 8.744 3.376 ( 4.911 -3.419 2.635) 6.538 3.468 ( -2.888 -5.066 0.995) 5.916 3.634 ( 2.315 -1.166 4.824) 5.476 3.666 ( 0.546 -1.050 5.381) 5.510 3.923 ( 3.415 4.480 3.306) 6.531 3.943 ( 1.494 3.209 6.093) 7.046 3.978 ( 1.428 2.780 2.119) 3.776 3.997 ( 0.640 0.728 3.373) 3.510 4.021 ( 0.266 2.827 -1.895) 3.414 4.076 ( -4.054 3.798 0.199) 5.559 4.164 ( 3.823 0.852 4.058) 5.640 4.264 ( 2.234 1.002 -0.902) 2.609 4.308 ( 5.172 0.522 12.450) 13.491 4.430 ( -2.321 -3.768 11.630) 12.444 4.574 ( 0.280 2.494 -0.212) 2.518 4.595 ( -1.901 1.106 0.874) 2.367 4.635 ( -3.112 -3.446 0.505) 4.671 4.688 ( -7.866 -0.048 1.573) 8.022 4.755 ( 2.072 -1.847 3.454) 4.431 4.821 ( -2.550 -5.661 4.943) 7.936 4.908 ( 1.783 1.110 2.709) 3.428 4.989 ( -4.432 3.505 4.927) 7.497 5.048 ( -0.226 2.225 -8.190) 8.490 5.077 ( -1.748 4.638 -8.658) 9.976 5.205 ( 1.631 3.032 4.047) 5.314 5.236 ( -0.342 1.616 4.563) 4.853 5.335 ( 7.241 1.123 2.241) 7.663 5.456 ( -2.325 1.640 4.472) 5.301 5.519 ( 3.296 -0.941 2.639) 4.326 5.536 ( 1.091 -0.268 2.657) 2.884 5.558 ( 3.240 -1.406 3.858) 5.231 5.652 ( -2.144 -0.237 -0.146) 2.162 5.684 ( 0.446 -0.698 7.016) 7.065 5.782 ( -5.886 1.005 8.306) 10.230 5.816 ( 1.415 0.205 -1.630) 2.168 5.882 ( -3.776 0.989 -6.354) 7.457 5.914 ( -2.380 2.659 -4.431) 5.689 5.943 ( -3.618 -0.220 -6.521) 7.461 6.052 ( 6.243 -1.812 -3.646) 7.454 6.181 ( -2.264 -3.740 -3.997) 5.924 6.247 ( 2.965 1.417 -5.568) 6.465 6.290 ( -3.419 -1.233 -4.385) 5.695 6.448 ( 5.675 2.818 0.632) 6.367 6.586 ( -3.780 -0.659 0.736) 3.907 6.618 ( 5.727 -1.111 3.416) 6.760 6.693 ( 4.622 -1.118 5.242) 7.077 6.747 ( 1.641 0.161 4.065) 4.387 6.846 ( 0.326 2.399 0.243) 2.433 6.882 ( 0.402 -2.180 2.744) 3.528 6.922 ( -0.490 2.282 6.730) 7.123 6.930 ( -5.067 -1.065 6.497) 8.307 7.040 ( 2.356 3.201 1.547) 4.265 7.060 ( -2.792 -1.160 5.978) 6.699 7.185 ( -6.758 5.292 4.359) 9.627 7.241 ( -0.790 0.920 -2.830) 3.078 7.285 ( -3.573 -0.160 -5.365) 6.448 7.412 ( 4.506 -1.428 6.802) 8.283 7.490 ( 0.549 -2.201 3.453) 4.131 7.577 ( 5.529 1.740 -2.345) 6.252 7.595 ( 3.834 2.140 4.002) 5.941 7.632 ( -1.189 2.742 -0.835) 3.104 7.734 ( -1.467 1.177 6.316) 6.590 7.756 ( -4.200 -0.475 2.497) 4.910 7.822 ( -6.262 2.691 -0.109) 6.817 7.926 ( 1.767 -2.197 3.431) 4.441 7.945 ( -2.092 0.217 -0.373) 2.136 8.099 ( 6.360 -3.252 -4.444) 8.412 8.217 ( -2.871 -2.221 -5.490) 6.582 8.325 ( 4.646 1.778 -0.649) 5.016 8.370 ( -0.944 -1.463 -2.138) 2.757 8.428 ( -0.877 0.608 -6.921) 7.003 8.466 ( -2.639 0.851 -4.895) 5.626 8.585 ( 2.995 1.606 0.325) 3.414 8.648 ( -2.292 -0.502 1.608) 2.845 8.803 ( 2.011 -0.693 7.023) 7.338 8.843 ( -1.230 -1.755 7.125) 7.441 9.186 ( 0.953 -0.233 -13.359) 13.395 9.241 ( -3.102 -1.124 -10.519) 11.024 9.385 ( 4.673 -0.728 1.145) 4.866 9.486 ( -3.298 -2.694 1.884) 4.657 9.589 ( 3.027 0.595 -3.242) 4.475 9.650 ( -0.829 2.239 -3.910) 4.581 9.838 ( 1.499 1.255 3.516) 4.022 9.884 ( -1.870 -0.480 4.453) 4.854 10.108 ( 2.296 1.499 0.558) 2.798 10.167 ( -2.297 -0.601 -1.741) 2.944 10.307 ( 1.160 -0.689 -9.039) 9.139 10.369 ( -3.713 -2.319 -10.338) 11.226 10.414 ( 3.534 2.882 -8.025) 9.230 10.473 ( -1.082 1.368 -10.325) 10.471 11.158 ( 1.537 0.220 -6.068) 6.264 11.196 ( -1.335 -0.892 -7.017) 7.198 11.407 ( 2.034 0.989 -8.649) 8.940 11.454 ( -1.766 -0.758 -9.020) 9.223 11.582 ( 2.092 0.937 -9.070) 9.356 11.624 ( -0.668 -0.913 1.036) 1.534 11.627 ( 0.237 -0.181 9.892) 9.897 11.642 ( -1.517 -0.501 -0.529) 1.683 12.438 ( 3.239 2.255 27.122) 27.407 12.513 ( -2.556 -1.027 15.245) 15.492 12.577 ( 0.922 0.429 3.657) 3.796 12.589 ( 0.000 1.174 4.887) 5.026 12.838 ( 4.546 5.300 29.906) 30.710 12.900 ( -1.413 0.833 17.260) 17.338 13.193 ( 2.787 0.851 11.976) 12.325 13.233 ( 1.829 3.129 4.378) 5.684 13.338 ( 0.579 0.669 4.540) 4.625 13.416 ( -0.589 0.809 -0.486) 1.112 13.527 ( 0.247 2.705 2.691) 3.824 13.551 ( 4.770 1.320 -1.881) 5.294 13.605 ( -4.937 -1.237 -6.937) 8.604 13.861 ( -23.900 -6.712 27.175) 36.807 13.993 ( 5.039 -0.059 -0.440) 5.058 14.122 ( -6.460 -2.361 1.032) 6.955 14.220 ( 1.750 -1.464 5.221) 5.698 14.253 ( -0.264 -0.943 6.479) 6.552 14.361 ( -1.967 2.062 1.319) 3.140 14.367 ( -1.606 1.967 2.655) 3.674 14.481 ( 3.049 -0.149 1.859) 3.574 14.567 ( -4.069 1.526 -0.190) 4.350 14.602 ( 2.756 1.475 4.278) 5.299 14.644 ( 0.146 0.407 8.007) 8.018 14.804 ( 1.667 -2.041 6.659) 7.161 14.933 ( -13.735 -5.528 26.575) 30.421 15.023 ( 7.299 0.554 -1.514) 7.475 15.216 ( -8.644 -4.924 0.569) 9.965 15.729 ( 3.250 -10.116 -2.535) 10.924 15.844 ( -5.808 -3.169 -8.623) 10.869 15.909 ( 3.745 -2.981 -1.904) 5.151 16.018 ( -5.030 2.191 -7.785) 9.524 16.416 ( 4.312 -10.771 -13.258) 17.618 16.471 ( 0.171 -14.401 -13.821) 19.961 16.744 ( 9.392 2.583 -18.374) 20.796 16.929 ( -4.959 -0.970 -20.582) 21.193 17.283 ( 2.770 -2.746 -4.964) 6.313 17.377 ( -5.129 1.308 -4.618) 7.024 17.657 ( 9.884 5.040 2.609) 11.397 17.801 ( -2.466 5.813 -0.510) 6.335 18.027 ( 24.302 -17.131 -0.221) 29.734 18.354 ( -3.776 1.083 -4.171) 5.730 18.480 ( 0.322 -7.538 -3.329) 8.247 18.727 ( -16.565 -14.546 -7.277) 23.215 19.433 ( 4.996 5.229 2.030) 7.511 19.653 ( -12.587 9.447 3.464) 16.114 20.123 ( 17.440 -2.646 5.590) 18.505 20.336 ( 2.733 -6.892 6.010) 9.544 20.928 ( 5.003 7.734 -14.112) 16.852 21.191 ( -6.861 -3.890 -13.135) 15.321 21.547 ( 1.163 15.302 -17.354) 23.166 21.749 ( -9.696 9.141 -15.222) 20.231 21.986 ( 1.568 0.506 -5.272) 5.523 22.044 ( -2.028 -0.701 -5.608) 6.005 22.201 ( 7.759 4.764 -8.112) 12.194 22.276 ( 0.612 1.225 -5.185) 5.362 22.530 ( 1.056 0.534 10.699) 10.764 22.570 ( -2.111 -1.182 12.314) 12.550 22.890 ( -0.661 0.679 -9.160) 9.209 22.920 ( -2.369 -0.502 -10.016) 10.305 23.611 ( 3.163 -1.251 -10.662) 11.191 23.660 ( -1.043 -2.904 -7.935) 8.514 ======================= Grid point 36 (17/36) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.000 -0.058 14.518) 14.518 1.716 ( 0.000 0.058 14.518) 14.518 1.861 ( 0.000 -3.530 11.777) 12.294 1.861 ( 0.000 3.530 11.777) 12.294 2.039 ( 0.000 -0.809 3.865) 3.949 2.039 ( 0.000 0.809 3.865) 3.949 2.308 ( 0.000 -9.120 11.577) 14.738 2.308 ( 0.000 9.120 11.577) 14.738 2.580 ( 0.000 -4.637 7.364) 8.702 2.580 ( 0.000 4.637 7.364) 8.702 2.797 ( 0.000 -13.928 10.748) 17.593 2.797 ( 0.000 13.928 10.748) 17.593 2.832 ( 0.000 -7.273 4.097) 8.348 2.832 ( 0.000 7.273 4.097) 8.348 2.965 ( 0.000 -7.032 2.755) 7.553 2.965 ( 0.000 7.032 2.755) 7.553 3.054 ( 0.000 -0.244 3.022) 3.032 3.054 ( 0.000 0.244 3.022) 3.032 3.152 ( 0.000 -11.849 11.942) 16.823 3.152 ( 0.000 11.849 11.942) 16.823 3.404 ( 0.000 -5.026 0.578) 5.059 3.404 ( 0.000 5.026 0.578) 5.059 3.606 ( 0.000 -2.645 8.610) 9.007 3.606 ( 0.000 2.645 8.610) 9.007 3.905 ( 0.000 -0.271 1.004) 1.040 3.905 ( 0.000 0.271 1.004) 1.040 4.000 ( 0.000 -0.368 6.286) 6.297 4.000 ( 0.000 0.368 6.286) 6.297 4.060 ( 0.000 -3.225 0.053) 3.226 4.060 ( 0.000 3.225 0.053) 3.226 4.249 ( 0.000 -0.051 -0.300) 0.304 4.249 ( 0.000 0.051 -0.300) 0.304 4.328 ( 0.000 -6.285 16.406) 17.568 4.328 ( 0.000 6.285 16.406) 17.568 4.586 ( 0.000 -1.528 -1.400) 2.072 4.586 ( 0.000 1.528 -1.400) 2.072 4.718 ( 0.000 -5.760 0.799) 5.815 4.718 ( 0.000 5.760 0.799) 5.815 4.807 ( 0.000 -1.629 2.821) 3.258 4.807 ( 0.000 1.629 2.821) 3.258 4.985 ( 0.000 -2.160 2.802) 3.538 4.985 ( 0.000 2.160 2.802) 3.538 5.144 ( 0.000 -0.847 -0.621) 1.050 5.144 ( 0.000 0.847 -0.621) 1.050 5.224 ( 0.000 -0.262 -3.599) 3.609 5.224 ( 0.000 0.262 -3.599) 3.609 5.337 ( 0.000 -5.628 1.844) 5.922 5.337 ( 0.000 5.628 1.844) 5.922 5.512 ( 0.000 -0.107 3.693) 3.694 5.512 ( 0.000 0.107 3.693) 3.694 5.550 ( 0.000 -2.209 2.360) 3.232 5.550 ( 0.000 2.209 2.360) 3.232 5.807 ( 0.000 -3.681 -4.778) 6.032 5.807 ( 0.000 3.681 -4.778) 6.032 5.859 ( 0.000 -0.747 6.012) 6.058 5.859 ( 0.000 0.747 6.012) 6.058 5.987 ( 0.000 -2.231 -3.399) 4.066 5.987 ( 0.000 2.231 -3.399) 4.066 6.141 ( 0.000 -1.470 -5.293) 5.493 6.141 ( 0.000 1.470 -5.293) 5.493 6.239 ( 0.000 -6.964 -4.092) 8.077 6.239 ( 0.000 6.964 -4.092) 8.077 6.456 ( 0.000 -3.206 2.529) 4.083 6.456 ( 0.000 3.206 2.529) 4.083 6.589 ( 0.000 -0.820 3.818) 3.905 6.589 ( 0.000 0.820 3.818) 3.905 6.787 ( 0.000 -2.827 4.974) 5.721 6.787 ( 0.000 2.827 4.974) 5.721 6.891 ( 0.000 -0.033 -1.166) 1.167 6.891 ( 0.000 0.033 -1.166) 1.167 7.021 ( 0.000 -4.353 6.096) 7.491 7.021 ( 0.000 4.353 6.096) 7.491 7.231 ( 0.000 -0.147 0.826) 0.839 7.231 ( 0.000 0.147 0.826) 0.839 7.350 ( 0.000 -1.504 1.826) 2.366 7.350 ( 0.000 1.504 1.826) 2.366 7.417 ( 0.000 -2.051 3.170) 3.775 7.417 ( 0.000 2.051 3.170) 3.775 7.573 ( 0.000 -3.799 -5.111) 6.369 7.573 ( 0.000 3.799 -5.111) 6.369 7.716 ( 0.000 -2.068 2.953) 3.605 7.716 ( 0.000 2.068 2.953) 3.605 7.789 ( 0.000 -0.409 0.409) 0.578 7.789 ( 0.000 0.409 0.409) 0.578 7.914 ( 0.000 -0.947 5.473) 5.555 7.914 ( 0.000 0.947 5.473) 5.555 8.159 ( 0.000 -0.260 -4.300) 4.308 8.159 ( 0.000 0.260 -4.300) 4.308 8.321 ( 0.000 -2.588 -1.721) 3.108 8.321 ( 0.000 2.588 -1.721) 3.108 8.473 ( 0.000 -0.778 -6.723) 6.767 8.473 ( 0.000 0.778 -6.723) 6.767 8.609 ( 0.000 -3.626 2.493) 4.400 8.609 ( 0.000 3.626 2.493) 4.400 8.798 ( 0.000 -2.085 6.840) 7.150 8.798 ( 0.000 2.085 6.840) 7.150 9.241 ( 0.000 -2.008 -14.574) 14.712 9.241 ( 0.000 2.008 -14.574) 14.712 9.366 ( 0.000 -3.882 8.416) 9.268 9.366 ( 0.000 3.882 8.416) 9.268 9.628 ( 0.000 -0.269 -5.726) 5.732 9.628 ( 0.000 0.269 -5.726) 5.732 9.868 ( 0.000 -1.986 4.518) 4.935 9.868 ( 0.000 1.986 4.518) 4.935 10.148 ( 0.000 -2.760 -2.724) 3.878 10.148 ( 0.000 2.760 -2.724) 3.878 10.367 ( 0.000 -0.674 -10.155) 10.177 10.367 ( 0.000 0.674 -10.155) 10.177 10.427 ( 0.000 -0.252 -8.803) 8.807 10.427 ( 0.000 0.252 -8.803) 8.807 11.172 ( 0.000 -1.703 -7.364) 7.558 11.172 ( 0.000 1.703 -7.364) 7.558 11.427 ( 0.000 -2.435 -8.344) 8.692 11.427 ( 0.000 2.435 -8.344) 8.692 11.598 ( 0.000 -1.545 0.339) 1.582 11.598 ( 0.000 1.545 0.339) 1.582 11.638 ( 0.000 -1.217 -0.180) 1.230 11.638 ( 0.000 1.217 -0.180) 1.230 12.517 ( 0.000 -2.055 16.417) 16.545 12.517 ( 0.000 2.055 16.417) 16.545 12.582 ( 0.000 -0.261 4.470) 4.478 12.582 ( 0.000 0.261 4.470) 4.478 12.942 ( 0.000 -1.485 21.722) 21.772 12.942 ( 0.000 1.485 21.722) 21.772 13.257 ( 0.000 -5.455 -2.544) 6.019 13.257 ( 0.000 5.455 -2.544) 6.019 13.430 ( 0.000 -14.672 15.772) 21.541 13.430 ( 0.000 14.672 15.772) 21.541 13.504 ( 0.000 -8.036 -1.207) 8.127 13.504 ( 0.000 8.036 -1.207) 8.127 13.696 ( 0.000 -16.020 18.865) 24.749 13.696 ( 0.000 16.020 18.865) 24.749 14.052 ( 0.000 -8.289 2.311) 8.605 14.052 ( 0.000 8.289 2.311) 8.605 14.223 ( 0.000 -2.128 4.605) 5.073 14.223 ( 0.000 2.128 4.605) 5.073 14.420 ( 0.000 -0.235 1.703) 1.719 14.420 ( 0.000 0.235 1.703) 1.719 14.489 ( 0.000 -1.421 3.597) 3.867 14.489 ( 0.000 1.421 3.597) 3.867 14.657 ( 0.000 -1.472 6.041) 6.218 14.657 ( 0.000 1.472 6.041) 6.218 14.817 ( 0.000 -12.923 13.889) 18.971 14.817 ( 0.000 12.923 13.889) 18.971 15.082 ( 0.000 -8.024 1.488) 8.161 15.082 ( 0.000 8.024 1.488) 8.161 15.689 ( 0.000 -1.839 1.001) 2.094 15.689 ( 0.000 1.839 1.001) 2.094 16.169 ( 0.000 -5.586 -8.449) 10.128 16.169 ( 0.000 5.586 -8.449) 10.128 16.209 ( 0.000 -4.934 -12.151) 13.115 16.209 ( 0.000 4.934 -12.151) 13.115 16.719 ( 0.000 -7.142 -17.826) 19.204 16.719 ( 0.000 7.142 -17.826) 19.204 17.214 ( 0.000 -0.099 1.136) 1.140 17.214 ( 0.000 0.099 1.136) 1.140 17.644 ( 0.000 -1.218 -5.487) 5.621 17.644 ( 0.000 1.218 -5.487) 5.621 18.180 ( 0.000 -15.425 -5.187) 16.273 18.180 ( 0.000 15.425 -5.187) 16.273 18.661 ( 0.000 -8.032 -1.732) 8.216 18.661 ( 0.000 8.032 -1.732) 8.216 19.610 ( 0.000 -3.695 3.738) 5.256 19.610 ( 0.000 3.695 3.738) 5.256 20.058 ( 0.000 -2.714 6.886) 7.401 20.058 ( 0.000 2.714 6.886) 7.401 21.142 ( 0.000 -4.300 -14.021) 14.665 21.142 ( 0.000 4.300 -14.021) 14.665 21.966 ( 0.000 -0.860 -5.286) 5.355 21.966 ( 0.000 0.860 -5.286) 5.355 21.971 ( 0.000 -6.088 -23.813) 24.579 21.971 ( 0.000 6.088 -23.813) 24.579 22.123 ( 0.000 -3.581 -2.552) 4.398 22.123 ( 0.000 3.581 -2.552) 4.398 22.560 ( 0.000 -2.195 10.797) 11.017 22.560 ( 0.000 2.195 10.797) 11.017 22.933 ( 0.000 -0.902 -9.281) 9.325 22.933 ( 0.000 0.902 -9.281) 9.325 23.592 ( 0.000 -2.823 -8.945) 9.380 23.592 ( 0.000 2.823 -8.945) 9.380 ======================= Grid point 38 (18/36) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -8.268 -0.000 11.275) 13.982 1.526 ( -9.926 0.000 15.486) 18.394 1.830 ( 4.654 0.000 11.980) 12.852 1.941 ( -4.278 0.000 7.791) 8.888 2.084 ( 0.086 0.000 10.650) 10.650 2.097 ( 3.747 -0.000 12.624) 13.169 2.121 ( -1.980 0.000 15.056) 15.186 2.261 ( -7.496 -0.000 11.713) 13.906 2.645 ( 5.990 0.000 2.975) 6.688 2.719 ( 3.068 0.000 7.196) 7.823 2.786 ( 1.245 0.000 -1.845) 2.226 2.814 ( 3.213 -0.000 4.268) 5.342 2.889 ( -2.588 -0.000 3.343) 4.228 2.904 ( 1.424 -0.000 6.419) 6.575 2.919 ( -3.237 0.000 7.516) 8.183 2.925 ( 3.370 -0.000 7.689) 8.395 3.055 ( 3.757 -0.000 3.758) 5.314 3.108 ( 1.196 0.000 4.679) 4.830 3.149 ( -1.753 0.000 9.059) 9.227 3.151 ( -1.330 -0.000 2.127) 2.509 3.414 ( 0.754 -0.000 2.756) 2.857 3.418 ( 0.590 0.000 3.676) 3.723 3.627 ( 1.381 0.000 8.692) 8.801 3.631 ( 1.488 -0.000 8.840) 8.964 3.980 ( 0.542 0.000 6.497) 6.520 3.982 ( 5.262 0.000 2.225) 5.714 3.991 ( -0.270 0.000 4.370) 4.378 4.005 ( 4.983 0.000 3.159) 5.900 4.071 ( 1.534 0.000 0.602) 1.648 4.090 ( -0.431 0.000 -0.928) 1.023 4.212 ( -1.985 0.000 10.154) 10.346 4.287 ( 0.263 0.000 2.922) 2.934 4.325 ( 0.709 0.000 21.515) 21.527 4.367 ( 3.043 0.000 5.329) 6.137 4.586 ( -1.166 -0.000 1.024) 1.552 4.591 ( -1.393 0.000 -5.791) 5.956 4.665 ( -1.867 -0.000 4.354) 4.737 4.698 ( -1.364 0.000 1.566) 2.077 4.717 ( -3.328 -0.000 -0.750) 3.412 4.720 ( -5.298 0.000 2.052) 5.681 4.925 ( 1.551 0.000 1.873) 2.432 5.024 ( -6.041 0.000 4.541) 7.558 5.095 ( 2.868 0.000 -4.661) 5.472 5.135 ( -1.567 0.000 -8.141) 8.291 5.235 ( 0.122 0.000 -1.145) 1.151 5.244 ( 0.308 0.000 4.761) 4.771 5.371 ( 6.101 0.000 0.286) 6.108 5.485 ( 3.416 0.000 4.372) 5.548 5.499 ( -1.916 0.000 -0.066) 1.917 5.505 ( 0.791 -0.000 4.887) 4.950 5.560 ( 3.630 0.000 3.536) 5.067 5.652 ( 0.791 0.000 0.965) 1.247 5.674 ( -1.409 0.000 4.076) 4.313 5.787 ( -3.991 0.000 4.782) 6.228 5.817 ( 0.757 0.000 -5.912) 5.960 5.867 ( -3.336 0.000 -2.129) 3.957 5.948 ( -2.392 0.000 -3.260) 4.043 5.969 ( -3.346 0.000 1.411) 3.631 6.057 ( 1.450 0.000 -10.067) 10.171 6.120 ( -3.438 0.000 -2.956) 4.534 6.255 ( 1.029 0.000 -6.899) 6.976 6.269 ( 0.575 -0.000 -4.763) 4.797 6.495 ( 4.272 0.000 -0.868) 4.360 6.572 ( 2.699 0.000 4.275) 5.056 6.601 ( 3.793 0.000 2.675) 4.642 6.686 ( 3.570 0.000 5.870) 6.870 6.749 ( 0.685 -0.000 3.225) 3.297 6.839 ( 0.186 0.000 5.667) 5.670 6.887 ( 2.958 0.000 -0.423) 2.989 6.910 ( -5.081 0.000 5.273) 7.323 6.986 ( -1.282 0.000 4.963) 5.126 7.015 ( -1.867 -0.000 5.180) 5.506 7.095 ( 1.631 0.000 -0.178) 1.641 7.190 ( -5.331 0.000 -2.007) 5.696 7.299 ( -1.435 0.000 -6.405) 6.564 7.318 ( -3.243 0.000 3.708) 4.926 7.399 ( -2.039 -0.000 5.864) 6.209 7.422 ( -3.627 0.000 7.411) 8.251 7.592 ( 4.940 0.000 1.177) 5.078 7.658 ( 4.123 0.000 1.843) 4.516 7.687 ( 1.686 -0.000 -1.842) 2.497 7.727 ( 0.340 0.000 -2.241) 2.267 7.753 ( -3.764 0.000 8.422) 9.225 7.844 ( 0.266 0.000 5.836) 5.842 7.890 ( 3.064 0.000 -0.768) 3.159 7.952 ( -6.938 0.000 -3.558) 7.797 8.062 ( 5.252 0.000 -1.805) 5.553 8.181 ( -4.457 0.000 -3.869) 5.902 8.345 ( 2.788 0.000 -0.407) 2.817 8.357 ( 0.915 0.000 -4.348) 4.444 8.439 ( -0.381 0.000 -8.671) 8.679 8.470 ( -1.831 0.000 -5.242) 5.553 8.621 ( 1.086 0.000 2.049) 2.319 8.627 ( 0.668 -0.000 1.681) 1.809 8.796 ( 0.920 -0.000 6.592) 6.656 8.817 ( -0.229 0.000 6.881) 6.885 9.190 ( -0.833 0.000 -9.006) 9.044 9.213 ( -2.544 0.000 -6.608) 7.081 9.379 ( 3.626 0.000 -2.971) 4.688 9.453 ( -1.180 0.000 -0.214) 1.199 9.597 ( 3.783 0.000 -2.708) 4.652 9.677 ( -0.718 0.000 -3.927) 3.992 9.862 ( 0.089 0.000 4.591) 4.592 9.870 ( -0.260 0.000 3.662) 3.671 10.140 ( -0.146 0.000 -1.017) 1.028 10.148 ( -0.541 0.000 -0.634) 0.834 10.305 ( -0.748 0.000 -8.212) 8.246 10.337 ( -3.051 -0.000 -10.319) 10.760 10.454 ( 2.901 0.000 -9.531) 9.963 10.484 ( 0.662 0.000 -11.212) 11.232 11.165 ( 0.437 0.000 -6.637) 6.651 11.180 ( -0.344 0.000 -6.957) 6.966 11.431 ( 0.299 0.000 -8.798) 8.803 11.433 ( 0.237 -0.000 -8.352) 8.356 11.599 ( 0.508 0.000 -5.157) 5.182 11.610 ( 0.034 0.000 -6.085) 6.085 11.628 ( -0.514 0.000 6.574) 6.594 11.629 ( -0.431 -0.000 5.911) 5.926 12.478 ( -1.285 0.000 15.238) 15.292 12.492 ( -2.619 -0.000 19.751) 19.924 12.581 ( 1.457 0.000 5.645) 5.830 12.602 ( -0.145 0.000 7.848) 7.849 12.897 ( -0.620 0.000 19.368) 19.378 12.927 ( -2.320 0.000 18.263) 18.409 13.270 ( 1.826 0.000 -0.886) 2.030 13.293 ( 1.025 0.000 1.381) 1.720 13.367 ( -1.737 -0.000 10.149) 10.297 13.397 ( -3.368 0.000 21.152) 21.419 13.544 ( 2.363 0.000 8.204) 8.538 13.568 ( 5.074 0.000 -1.176) 5.208 13.616 ( -3.539 0.000 17.770) 18.119 13.683 ( -3.589 -0.000 15.715) 16.120 14.017 ( -0.311 0.000 1.241) 1.279 14.046 ( -1.930 0.000 2.699) 3.319 14.222 ( 0.868 0.000 5.209) 5.281 14.236 ( 0.150 0.000 5.569) 5.571 14.383 ( -0.882 0.000 0.575) 1.052 14.395 ( -1.804 0.000 0.557) 1.888 14.485 ( 3.357 0.000 0.481) 3.391 14.585 ( -4.762 0.000 -2.033) 5.178 14.637 ( 4.515 0.000 3.763) 5.878 14.664 ( -0.084 0.000 12.324) 12.324 14.764 ( 0.919 0.000 27.190) 27.206 14.844 ( -2.188 0.000 10.552) 10.776 15.041 ( -0.219 0.000 2.317) 2.327 15.076 ( -1.775 0.000 -1.795) 2.524 15.618 ( 1.686 0.000 -5.149) 5.418 15.769 ( -10.075 0.000 -2.882) 10.479 15.902 ( 3.692 0.000 -7.380) 8.252 16.036 ( -5.971 0.000 -5.963) 8.439 16.281 ( 3.535 0.000 -13.417) 13.875 16.324 ( -0.262 -0.000 -15.937) 15.939 16.774 ( 7.962 0.000 -18.723) 20.346 16.902 ( -0.549 0.000 -22.864) 22.871 17.249 ( 4.264 0.000 -4.543) 6.231 17.366 ( -3.110 0.000 -1.957) 3.675 17.668 ( 23.596 0.000 2.759) 23.756 17.866 ( 9.455 0.000 -3.211) 9.985 18.056 ( -6.911 0.000 -2.871) 7.484 18.222 ( -14.646 -0.000 0.706) 14.663 18.376 ( 1.357 0.000 -5.742) 5.900 18.619 ( -12.063 0.000 -3.142) 12.466 19.479 ( 7.097 0.000 2.790) 7.626 19.746 ( -13.939 0.000 4.196) 14.557 20.081 ( 18.348 0.000 5.504) 19.155 20.261 ( 3.006 0.000 8.242) 8.773 21.027 ( -1.966 0.000 -13.255) 13.400 21.128 ( -7.800 0.000 -13.638) 15.710 21.739 ( -0.265 0.000 -18.086) 18.088 21.850 ( -6.590 0.000 -14.666) 16.078 22.016 ( 0.232 -0.000 -8.413) 8.417 22.022 ( -1.557 0.000 -2.405) 2.865 22.272 ( 6.420 0.000 -6.911) 9.433 22.288 ( 7.912 -0.000 -15.840) 17.706 22.539 ( -1.171 0.000 11.245) 11.305 22.552 ( -0.943 0.000 11.705) 11.743 22.905 ( -1.445 0.000 -8.781) 8.899 22.907 ( -1.545 -0.000 -10.007) 10.125 23.606 ( 0.875 0.000 -9.073) 9.115 23.609 ( 0.719 -0.000 -9.167) 9.195 ======================= Grid point 45 (19/36) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 0.000 8.562) 8.562 1.817 ( 0.000 0.000 27.481) 27.481 2.000 ( 0.000 0.000 22.840) 22.840 2.219 ( 0.000 0.000 16.766) 16.766 2.321 ( 0.000 0.000 6.843) 6.843 2.464 ( 0.000 0.000 4.191) 4.191 2.544 ( 0.000 0.000 9.231) 9.231 2.552 ( 0.000 0.000 17.074) 17.074 2.714 ( 0.000 0.000 2.638) 2.638 2.806 ( 0.000 0.000 1.422) 1.422 2.844 ( 0.000 0.000 11.428) 11.428 2.875 ( 0.000 0.000 6.356) 6.356 2.988 ( 0.000 0.000 -8.044) 8.044 3.083 ( 0.000 0.000 -2.856) 2.856 3.178 ( 0.000 0.000 21.337) 21.337 3.225 ( 0.000 0.000 8.411) 8.411 3.234 ( 0.000 0.000 8.004) 8.004 3.334 ( 0.000 0.000 1.283) 1.283 3.345 ( 0.000 0.000 1.395) 1.395 3.458 ( 0.000 0.000 5.945) 5.945 3.492 ( 0.000 0.000 -6.506) 6.506 3.570 ( 0.000 0.000 -1.534) 1.534 3.636 ( 0.000 0.000 1.821) 1.821 3.666 ( 0.000 0.000 3.746) 3.746 3.845 ( 0.000 0.000 -2.388) 2.388 3.884 ( 0.000 0.000 3.776) 3.776 3.920 ( 0.000 0.000 -0.074) 0.074 3.925 ( 0.000 0.000 1.670) 1.670 3.957 ( 0.000 0.000 4.465) 4.465 4.049 ( 0.000 0.000 -5.532) 5.532 4.127 ( 0.000 0.000 -0.494) 0.494 4.127 ( 0.000 0.000 0.808) 0.808 4.441 ( 0.000 0.000 -7.458) 7.458 4.462 ( 0.000 0.000 5.589) 5.589 4.509 ( 0.000 0.000 -9.415) 9.415 4.586 ( 0.000 0.000 -2.038) 2.038 4.628 ( 0.000 0.000 -7.058) 7.058 4.757 ( 0.000 0.000 1.091) 1.091 4.888 ( 0.000 0.000 -3.805) 3.805 4.890 ( 0.000 0.000 1.650) 1.650 5.014 ( 0.000 0.000 1.621) 1.621 5.027 ( 0.000 0.000 -8.952) 8.952 5.143 ( 0.000 0.000 9.298) 9.298 5.220 ( 0.000 0.000 -9.543) 9.543 5.224 ( 0.000 0.000 8.729) 8.729 5.294 ( 0.000 0.000 2.703) 2.703 5.362 ( 0.000 0.000 13.682) 13.682 5.378 ( 0.000 0.000 -6.026) 6.026 5.527 ( 0.000 0.000 2.108) 2.108 5.541 ( 0.000 0.000 3.371) 3.371 5.545 ( 0.000 0.000 1.612) 1.612 5.675 ( 0.000 0.000 14.052) 14.052 5.706 ( 0.000 0.000 4.423) 4.423 5.767 ( 0.000 0.000 -4.709) 4.709 5.832 ( 0.000 0.000 2.585) 2.585 5.940 ( 0.000 0.000 9.697) 9.697 5.993 ( 0.000 0.000 6.235) 6.235 6.062 ( 0.000 0.000 4.598) 4.598 6.099 ( 0.000 0.000 5.652) 5.652 6.248 ( 0.000 0.000 10.451) 10.451 6.317 ( 0.000 0.000 -2.606) 2.606 6.369 ( 0.000 0.000 15.470) 15.470 6.584 ( 0.000 0.000 5.701) 5.701 6.591 ( 0.000 0.000 6.606) 6.606 6.609 ( 0.000 0.000 1.197) 1.197 6.709 ( 0.000 0.000 -1.384) 1.384 6.772 ( 0.000 0.000 -2.621) 2.621 6.819 ( 0.000 0.000 0.535) 0.535 6.839 ( 0.000 0.000 -4.007) 4.007 6.975 ( 0.000 0.000 -2.496) 2.496 7.041 ( 0.000 0.000 -10.848) 10.848 7.051 ( 0.000 0.000 11.442) 11.442 7.118 ( 0.000 0.000 -12.863) 12.863 7.185 ( 0.000 0.000 3.875) 3.875 7.241 ( 0.000 0.000 1.142) 1.142 7.248 ( 0.000 0.000 -2.703) 2.703 7.314 ( 0.000 0.000 5.442) 5.442 7.514 ( 0.000 0.000 5.891) 5.891 7.520 ( 0.000 0.000 -2.638) 2.638 7.602 ( 0.000 0.000 13.668) 13.668 7.660 ( 0.000 0.000 -7.751) 7.751 7.770 ( 0.000 0.000 0.200) 0.200 7.785 ( 0.000 0.000 -3.220) 3.220 7.838 ( 0.000 0.000 -3.596) 3.596 7.940 ( 0.000 0.000 -0.391) 0.391 8.073 ( 0.000 0.000 -9.815) 9.815 8.127 ( 0.000 0.000 9.654) 9.654 8.180 ( 0.000 0.000 6.824) 6.824 8.201 ( 0.000 0.000 3.882) 3.882 8.328 ( 0.000 0.000 -3.256) 3.256 8.373 ( 0.000 0.000 -4.003) 4.003 8.487 ( 0.000 0.000 -0.745) 0.745 8.558 ( 0.000 0.000 3.771) 3.771 8.770 ( 0.000 0.000 1.773) 1.773 8.779 ( 0.000 0.000 -16.262) 16.262 8.909 ( 0.000 0.000 6.676) 6.676 9.034 ( 0.000 0.000 6.132) 6.132 9.144 ( 0.000 0.000 -5.729) 5.729 9.416 ( 0.000 0.000 -10.698) 10.698 9.470 ( 0.000 0.000 -8.624) 8.624 9.494 ( 0.000 0.000 12.149) 12.149 9.709 ( 0.000 0.000 7.234) 7.234 9.783 ( 0.000 0.000 -2.644) 2.644 9.980 ( 0.000 0.000 -0.250) 0.250 9.991 ( 0.000 0.000 -5.180) 5.180 10.050 ( 0.000 0.000 -6.302) 6.302 10.077 ( 0.000 0.000 -6.741) 6.741 10.192 ( 0.000 0.000 -8.602) 8.602 10.343 ( 0.000 0.000 -5.166) 5.166 10.441 ( 0.000 0.000 6.119) 6.119 10.969 ( 0.000 0.000 -8.328) 8.328 11.019 ( 0.000 0.000 -10.542) 10.542 11.159 ( 0.000 0.000 -11.457) 11.457 11.236 ( 0.000 0.000 -15.396) 15.396 11.302 ( 0.000 0.000 -13.000) 13.000 11.429 ( 0.000 0.000 -14.732) 14.732 11.885 ( 0.000 0.000 14.454) 14.454 11.971 ( 0.000 0.000 17.815) 17.815 12.530 ( 0.000 0.000 -0.636) 0.636 12.601 ( 0.000 0.000 1.275) 1.275 12.854 ( 0.000 0.000 18.380) 18.380 12.909 ( 0.000 0.000 15.522) 15.522 13.000 ( 0.000 0.000 -6.273) 6.273 13.163 ( 0.000 0.000 5.583) 5.583 13.176 ( 0.000 0.000 10.990) 10.990 13.274 ( 0.000 0.000 -5.067) 5.067 13.305 ( 0.000 0.000 0.879) 0.879 13.345 ( 0.000 0.000 -8.148) 8.148 13.430 ( 0.000 0.000 -11.390) 11.390 13.540 ( 0.000 0.000 8.473) 8.473 13.821 ( 0.000 0.000 -1.977) 1.977 13.849 ( 0.000 0.000 27.313) 27.313 14.123 ( 0.000 0.000 -10.824) 10.824 14.259 ( 0.000 0.000 5.391) 5.391 14.402 ( 0.000 0.000 8.078) 8.078 14.420 ( 0.000 0.000 -0.273) 0.273 14.422 ( 0.000 0.000 5.886) 5.886 14.427 ( 0.000 0.000 -1.454) 1.454 14.504 ( 0.000 0.000 3.133) 3.133 14.577 ( 0.000 0.000 3.672) 3.672 14.628 ( 0.000 0.000 -0.264) 0.264 14.708 ( 0.000 0.000 -1.452) 1.452 14.793 ( 0.000 0.000 0.505) 0.505 15.049 ( 0.000 0.000 19.925) 19.925 15.216 ( 0.000 0.000 -6.167) 6.167 15.534 ( 0.000 0.000 -18.628) 18.628 15.620 ( 0.000 0.000 -6.995) 6.995 15.893 ( 0.000 0.000 8.798) 8.798 15.974 ( 0.000 0.000 0.600) 0.600 16.030 ( 0.000 0.000 -11.000) 11.000 16.183 ( 0.000 0.000 -9.034) 9.034 16.323 ( 0.000 0.000 -4.311) 4.311 16.354 ( 0.000 0.000 -18.245) 18.245 17.110 ( 0.000 0.000 0.234) 0.234 17.157 ( 0.000 0.000 -1.422) 1.422 17.332 ( 0.000 0.000 0.003) 0.003 17.333 ( 0.000 0.000 -7.063) 7.063 17.874 ( 0.000 0.000 4.070) 4.070 18.259 ( 0.000 0.000 -9.062) 9.062 18.262 ( 0.000 0.000 -2.996) 2.996 18.453 ( 0.000 0.000 5.276) 5.276 18.931 ( 0.000 0.000 -1.128) 1.128 19.180 ( 0.000 0.000 -1.706) 1.706 19.860 ( 0.000 0.000 9.412) 9.412 19.933 ( 0.000 0.000 -0.673) 0.673 20.173 ( 0.000 0.000 0.342) 0.342 20.726 ( 0.000 0.000 -12.389) 12.389 20.916 ( 0.000 0.000 10.442) 10.442 21.156 ( 0.000 0.000 -26.267) 26.267 21.687 ( 0.000 0.000 -8.653) 8.653 21.821 ( 0.000 0.000 -10.541) 10.541 21.904 ( 0.000 0.000 -6.337) 6.337 21.944 ( 0.000 0.000 4.682) 4.682 22.290 ( 0.000 0.000 1.028) 1.028 22.686 ( 0.000 0.000 8.333) 8.333 22.712 ( 0.000 0.000 -11.376) 11.376 22.741 ( 0.000 0.000 -11.104) 11.104 22.846 ( 0.000 0.000 9.727) 9.727 23.283 ( 0.000 0.000 -13.266) 13.266 23.550 ( 0.000 0.000 -9.930) 9.930 ======================= Grid point 46 (20/36) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -1.540 0.000 17.606) 17.673 1.846 ( -8.543 0.000 24.750) 26.183 1.895 ( 6.562 0.000 25.305) 26.142 2.085 ( -9.111 0.000 20.562) 22.491 2.392 ( 5.611 0.000 6.169) 8.339 2.516 ( -3.901 0.000 6.108) 7.248 2.540 ( 5.372 0.000 6.515) 8.444 2.623 ( 0.806 0.000 10.090) 10.122 2.750 ( 2.754 0.000 3.215) 4.234 2.798 ( -1.091 0.000 1.735) 2.050 2.835 ( 1.567 0.000 10.230) 10.349 2.899 ( -0.475 0.000 6.770) 6.787 3.015 ( 2.104 0.000 -6.645) 6.970 3.064 ( -1.792 0.000 -4.124) 4.496 3.095 ( -1.057 0.000 17.668) 17.700 3.175 ( -4.710 0.000 9.359) 10.478 3.248 ( 2.514 0.000 6.626) 7.087 3.326 ( -2.958 0.000 3.652) 4.700 3.386 ( 2.498 0.000 -1.188) 2.766 3.442 ( -2.758 0.000 -4.363) 5.162 3.511 ( 4.769 0.000 5.354) 7.170 3.612 ( -2.880 0.000 3.573) 4.590 3.641 ( 4.002 0.000 0.230) 4.009 3.688 ( 0.324 0.000 2.136) 2.161 3.886 ( 0.491 0.000 3.625) 3.658 3.911 ( -1.368 0.000 2.724) 3.048 3.919 ( 1.191 0.000 -2.551) 2.816 3.946 ( 1.209 0.000 -2.448) 2.730 3.966 ( 2.026 0.000 1.729) 2.663 4.056 ( -5.020 0.000 0.138) 5.022 4.066 ( 6.760 0.000 -3.776) 7.743 4.202 ( 1.141 0.000 -3.025) 3.233 4.453 ( 1.717 0.000 -5.035) 5.319 4.498 ( -1.630 0.000 -6.792) 6.985 4.505 ( 3.199 0.000 1.348) 3.472 4.587 ( -1.621 0.000 2.655) 3.111 4.682 ( 4.226 0.000 -7.148) 8.304 4.720 ( -0.819 0.000 -3.104) 3.210 4.756 ( -1.236 0.000 -2.921) 3.172 4.898 ( -9.645 0.000 0.371) 9.652 4.956 ( -2.398 0.000 -0.641) 2.482 4.971 ( -3.282 0.000 -5.649) 6.533 5.132 ( 2.461 0.000 5.857) 6.353 5.183 ( -2.423 0.000 16.043) 16.225 5.264 ( 3.356 0.000 -3.500) 4.849 5.323 ( 3.124 0.000 -2.268) 3.860 5.341 ( -2.701 0.000 6.232) 6.793 5.391 ( -1.527 0.000 -2.041) 2.549 5.524 ( 1.099 0.000 2.191) 2.451 5.563 ( -1.682 0.000 2.619) 3.113 5.593 ( 4.524 0.000 -0.035) 4.524 5.713 ( 7.157 0.000 13.030) 14.866 5.713 ( -4.439 0.000 -2.734) 5.214 5.823 ( 5.653 0.000 5.952) 8.209 5.872 ( -4.548 0.000 10.779) 11.700 5.924 ( 7.809 0.000 8.532) 11.566 5.952 ( -4.552 0.000 6.816) 8.196 6.108 ( -1.845 0.000 2.765) 3.324 6.160 ( 6.273 0.000 4.917) 7.971 6.160 ( -3.087 0.000 14.758) 15.078 6.233 ( -4.486 0.000 1.862) 4.857 6.362 ( -10.550 0.000 4.778) 11.581 6.438 ( 5.584 0.000 4.144) 6.953 6.578 ( -2.500 0.000 0.282) 2.516 6.651 ( -2.413 0.000 0.773) 2.534 6.727 ( -5.713 0.000 -5.562) 7.973 6.770 ( 4.048 0.000 0.588) 4.091 6.814 ( 1.026 0.000 0.977) 1.417 6.898 ( 6.504 0.000 -4.879) 8.131 6.980 ( 4.007 0.000 -1.437) 4.257 7.059 ( -4.308 0.000 4.766) 6.424 7.076 ( -1.081 0.000 3.470) 3.635 7.104 ( -0.964 0.000 -7.623) 7.684 7.131 ( -1.572 0.000 -5.875) 6.082 7.145 ( 1.617 0.000 4.556) 4.834 7.285 ( -6.160 0.000 7.775) 9.919 7.424 ( 9.764 0.000 -5.557) 11.234 7.549 ( 2.202 0.000 -1.833) 2.866 7.553 ( 0.635 0.000 0.809) 1.028 7.593 ( -1.051 0.000 3.988) 4.125 7.692 ( 3.687 0.000 -0.699) 3.753 7.763 ( -2.737 0.000 0.669) 2.817 7.768 ( -1.661 0.000 6.846) 7.045 7.778 ( -2.146 0.000 -0.209) 2.156 7.989 ( 3.069 0.000 -6.645) 7.319 8.048 ( -1.955 0.000 -10.827) 11.002 8.079 ( -1.362 0.000 8.609) 8.716 8.105 ( -1.978 0.000 8.824) 9.043 8.323 ( -0.048 0.000 -2.324) 2.324 8.337 ( 5.521 0.000 1.042) 5.619 8.346 ( -1.836 0.000 -2.951) 3.476 8.441 ( -3.650 0.000 -0.535) 3.689 8.600 ( 3.487 0.000 3.295) 4.798 8.697 ( -4.659 0.000 2.647) 5.358 8.852 ( 6.141 0.000 -13.420) 14.758 8.960 ( 2.956 0.000 6.244) 6.908 9.015 ( -1.702 0.000 6.224) 6.452 9.024 ( -8.033 0.000 -8.677) 11.824 9.463 ( 1.861 0.000 -9.682) 9.859 9.477 ( 0.300 0.000 -9.526) 9.531 9.544 ( 3.987 0.000 10.278) 11.024 9.648 ( -4.508 0.000 7.688) 8.912 9.858 ( 5.927 0.000 0.371) 5.939 9.967 ( -2.075 0.000 2.677) 3.387 10.024 ( 1.986 0.000 -5.397) 5.751 10.051 ( -0.276 0.000 -6.322) 6.328 10.077 ( 0.380 0.000 -8.829) 8.837 10.127 ( -4.222 0.000 -11.154) 11.926 10.362 ( 1.728 0.000 -1.831) 2.518 10.412 ( -2.220 0.000 3.739) 4.348 10.986 ( 1.216 0.000 -9.075) 9.156 11.011 ( -0.771 0.000 -10.143) 10.172 11.181 ( 1.795 0.000 -12.207) 12.338 11.223 ( -1.435 0.000 -14.000) 14.073 11.331 ( 2.565 0.000 -13.916) 14.150 11.396 ( -2.617 0.000 -14.614) 14.847 11.901 ( 1.465 0.000 15.231) 15.301 11.945 ( -1.986 0.000 16.851) 16.968 12.544 ( 1.209 0.000 -0.172) 1.221 12.578 ( -1.584 0.000 0.732) 1.744 12.873 ( 1.393 0.000 17.093) 17.150 12.902 ( -0.872 0.000 16.296) 16.319 13.072 ( 5.719 0.000 -6.240) 8.464 13.123 ( 1.023 0.000 4.564) 4.677 13.189 ( -3.549 0.000 6.746) 7.623 13.218 ( -6.171 0.000 -5.193) 8.065 13.357 ( 7.559 0.000 0.592) 7.582 13.371 ( 1.368 0.000 -4.541) 4.743 13.404 ( -1.596 0.000 -6.886) 7.068 13.499 ( -4.107 0.000 5.672) 7.002 13.906 ( 6.239 0.000 -4.986) 7.987 13.964 ( 9.663 0.000 23.245) 25.173 14.051 ( -5.635 0.000 -8.527) 10.220 14.225 ( -11.360 0.000 9.762) 14.978 14.293 ( 2.528 0.000 3.488) 4.308 14.366 ( -3.778 0.000 1.275) 3.987 14.421 ( 1.075 0.000 6.588) 6.675 14.452 ( -1.162 0.000 4.949) 5.083 14.524 ( 1.382 0.000 1.588) 2.106 14.567 ( -2.579 0.000 0.848) 2.715 14.613 ( 3.075 0.000 0.434) 3.106 14.681 ( -2.332 0.000 -1.287) 2.664 14.951 ( 9.393 0.000 -2.507) 9.722 15.136 ( -6.339 0.000 -5.790) 8.586 15.178 ( 10.755 0.000 23.086) 25.468 15.476 ( -12.648 0.000 11.050) 16.795 15.621 ( 7.135 0.000 -15.370) 16.946 15.834 ( -10.978 0.000 -10.880) 15.456 15.861 ( 1.348 0.000 7.727) 7.843 15.950 ( -4.523 0.000 6.928) 8.273 16.297 ( 4.426 0.000 -13.513) 14.220 16.349 ( -0.727 0.000 -17.118) 17.133 16.402 ( 8.221 0.000 -8.606) 11.902 16.706 ( -19.089 0.000 -6.335) 20.113 17.217 ( 4.431 0.000 -1.879) 4.813 17.306 ( -2.657 0.000 -5.004) 5.665 17.549 ( 12.402 0.000 3.106) 12.786 17.829 ( -9.474 0.000 2.976) 9.931 18.228 ( -1.433 0.000 -7.094) 7.238 18.234 ( -1.722 0.000 -5.689) 5.944 18.595 ( 12.164 0.000 0.311) 12.168 18.844 ( -7.881 0.000 -1.249) 7.979 19.298 ( 9.404 0.000 0.073) 9.404 19.563 ( -13.463 0.000 3.478) 13.905 20.243 ( 14.479 0.000 2.294) 14.659 20.490 ( 22.589 0.000 -9.276) 24.420 20.541 ( -11.609 0.000 -1.842) 11.754 20.965 ( -16.299 0.000 -21.660) 27.108 21.119 ( 12.974 0.000 0.297) 12.977 21.443 ( -14.805 0.000 -3.658) 15.250 21.831 ( 2.586 0.000 -9.019) 9.382 21.907 ( -2.121 0.000 -8.255) 8.523 22.110 ( 8.279 0.000 0.582) 8.299 22.248 ( -3.840 0.000 0.568) 3.881 22.671 ( -0.825 0.000 -11.158) 11.189 22.705 ( -2.651 0.000 -11.188) 11.498 22.728 ( 3.322 0.000 8.925) 9.523 22.808 ( -3.100 0.000 9.576) 10.065 23.385 ( 6.573 0.000 -12.464) 14.091 23.508 ( -3.744 0.000 -10.768) 11.400 ======================= Grid point 48 (21/36) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 3.372 8.344) 9.000 1.864 ( 0.000 4.599 23.104) 23.557 2.038 ( 0.000 3.339 20.587) 20.856 2.164 ( 0.000 -2.085 15.011) 15.155 2.219 ( 0.000 -5.940 7.167) 9.309 2.521 ( 0.000 1.803 9.444) 9.615 2.567 ( 0.000 -2.727 6.077) 6.661 2.580 ( 0.000 -10.821 8.922) 14.025 2.685 ( 0.000 7.846 8.578) 11.625 2.742 ( 0.000 3.272 3.229) 4.597 2.818 ( 0.000 -14.480 7.831) 16.462 2.866 ( 0.000 -2.544 -0.462) 2.586 2.892 ( 0.000 2.011 10.825) 11.010 3.020 ( 0.000 -0.351 -5.098) 5.110 3.047 ( 0.000 -9.158 1.454) 9.273 3.101 ( 0.000 -4.224 -0.291) 4.234 3.209 ( 0.000 -10.652 -0.650) 10.671 3.284 ( 0.000 6.691 20.688) 21.743 3.368 ( 0.000 -4.431 2.872) 5.280 3.414 ( 0.000 -9.459 8.849) 12.953 3.477 ( 0.000 6.973 6.894) 9.806 3.511 ( 0.000 -2.512 0.656) 2.596 3.683 ( 0.000 3.378 0.668) 3.443 3.701 ( 0.000 1.281 3.799) 4.009 3.883 ( 0.000 2.953 0.570) 3.007 3.915 ( 0.000 1.465 -0.026) 1.465 3.995 ( 0.000 3.390 1.473) 3.696 4.007 ( 0.000 4.482 -1.167) 4.631 4.057 ( 0.000 0.539 4.246) 4.280 4.057 ( 0.000 0.163 -3.848) 3.852 4.152 ( 0.000 6.094 -1.374) 6.247 4.197 ( 0.000 6.731 2.905) 7.331 4.430 ( 0.000 -2.361 -5.204) 5.714 4.436 ( 0.000 -0.468 -6.369) 6.386 4.550 ( 0.000 4.196 2.335) 4.802 4.612 ( 0.000 2.579 -1.892) 3.199 4.690 ( 0.000 4.453 -5.966) 7.445 4.801 ( 0.000 2.291 0.748) 2.410 4.915 ( 0.000 2.554 -0.391) 2.583 4.928 ( 0.000 3.077 -6.528) 7.216 5.009 ( 0.000 -0.695 4.345) 4.400 5.026 ( 0.000 -1.403 -3.264) 3.553 5.091 ( 0.000 -3.904 10.296) 11.011 5.139 ( 0.000 -2.834 -8.013) 8.500 5.152 ( 0.000 -4.507 12.925) 13.689 5.305 ( 0.000 -5.882 -2.146) 6.262 5.358 ( 0.000 3.078 0.095) 3.079 5.393 ( 0.000 1.507 2.448) 2.875 5.532 ( 0.000 -0.449 2.987) 3.021 5.534 ( 0.000 -0.180 1.599) 1.609 5.607 ( 0.000 5.303 0.032) 5.303 5.631 ( 0.000 -2.834 10.251) 10.636 5.665 ( 0.000 -2.992 4.753) 5.617 5.766 ( 0.000 -1.107 -3.533) 3.702 5.832 ( 0.000 -0.148 5.745) 5.747 5.940 ( 0.000 -3.926 6.746) 7.805 5.969 ( 0.000 3.182 5.020) 5.943 6.102 ( 0.000 -0.123 4.888) 4.889 6.122 ( 0.000 4.408 4.314) 6.168 6.259 ( 0.000 -0.188 7.476) 7.478 6.317 ( 0.000 0.157 1.586) 1.593 6.357 ( 0.000 -1.289 14.871) 14.927 6.506 ( 0.000 -4.141 5.028) 6.514 6.549 ( 0.000 -3.709 0.244) 3.717 6.613 ( 0.000 1.472 4.995) 5.208 6.710 ( 0.000 -1.340 1.258) 1.838 6.784 ( 0.000 1.270 -2.190) 2.532 6.825 ( 0.000 2.227 0.075) 2.228 6.850 ( 0.000 -0.523 -0.549) 0.758 6.979 ( 0.000 -1.745 1.251) 2.147 7.012 ( 0.000 0.160 -6.338) 6.340 7.085 ( 0.000 2.145 1.204) 2.460 7.102 ( 0.000 -1.419 -12.164) 12.246 7.210 ( 0.000 -2.408 -3.180) 3.988 7.285 ( 0.000 4.379 1.789) 4.731 7.306 ( 0.000 0.052 2.462) 2.462 7.318 ( 0.000 8.163 2.862) 8.650 7.541 ( 0.000 1.590 5.718) 5.935 7.546 ( 0.000 1.256 -0.239) 1.278 7.608 ( 0.000 -2.906 -4.320) 5.206 7.627 ( 0.000 2.169 8.195) 8.478 7.740 ( 0.000 -2.520 -2.080) 3.268 7.821 ( 0.000 -1.404 -1.816) 2.296 7.863 ( 0.000 5.389 -3.516) 6.435 7.876 ( 0.000 -4.873 -0.654) 4.917 8.051 ( 0.000 -2.139 -7.608) 7.903 8.136 ( 0.000 0.811 8.025) 8.066 8.177 ( 0.000 -0.369 6.460) 6.471 8.240 ( 0.000 2.855 2.917) 4.081 8.323 ( 0.000 -0.633 -1.857) 1.962 8.376 ( 0.000 0.543 -3.120) 3.167 8.461 ( 0.000 -2.194 -0.784) 2.330 8.585 ( 0.000 2.457 2.920) 3.816 8.737 ( 0.000 -2.905 1.792) 3.413 8.828 ( 0.000 4.179 -12.676) 13.347 8.923 ( 0.000 1.505 4.871) 5.098 8.998 ( 0.000 -2.819 6.001) 6.630 9.102 ( 0.000 -4.017 -7.158) 8.208 9.432 ( 0.000 1.276 -10.058) 10.139 9.465 ( 0.000 -0.149 -4.718) 4.721 9.516 ( 0.000 1.837 7.765) 7.980 9.665 ( 0.000 -3.633 7.680) 8.496 9.834 ( 0.000 4.237 -1.693) 4.562 9.975 ( 0.000 -0.730 0.295) 0.787 10.005 ( 0.000 1.093 -5.650) 5.755 10.053 ( 0.000 0.174 -5.038) 5.041 10.084 ( 0.000 0.509 -7.633) 7.650 10.151 ( 0.000 -3.274 -10.279) 10.788 10.356 ( 0.000 1.216 -3.200) 3.424 10.427 ( 0.000 -1.216 4.623) 4.780 10.970 ( 0.000 0.156 -8.839) 8.840 11.004 ( 0.000 -1.161 -10.333) 10.398 11.178 ( 0.000 1.605 -11.532) 11.643 11.239 ( 0.000 -0.224 -14.203) 14.205 11.314 ( 0.000 1.312 -13.863) 13.925 11.408 ( 0.000 -1.806 -14.835) 14.944 11.890 ( 0.000 0.526 14.999) 15.008 11.949 ( 0.000 -1.711 17.359) 17.443 12.545 ( 0.000 1.259 -0.014) 1.259 12.596 ( 0.000 -0.524 1.190) 1.301 12.873 ( 0.000 1.415 16.452) 16.513 12.909 ( 0.000 -0.096 15.453) 15.454 13.034 ( 0.000 2.931 -6.273) 6.923 13.199 ( 0.000 1.370 10.976) 11.061 13.215 ( 0.000 -3.535 -7.049) 7.886 13.223 ( 0.000 3.916 4.419) 5.905 13.315 ( 0.000 1.152 -1.684) 2.040 13.364 ( 0.000 0.737 -7.423) 7.459 13.433 ( 0.000 0.028 -9.056) 9.056 13.489 ( 0.000 -3.475 5.757) 6.724 13.885 ( 0.000 5.089 0.695) 5.136 13.943 ( 0.000 8.341 22.749) 24.230 14.093 ( 0.000 -2.765 -8.845) 9.267 14.279 ( 0.000 1.792 5.419) 5.708 14.349 ( 0.000 -5.214 7.290) 8.962 14.391 ( 0.000 -2.255 6.185) 6.584 14.414 ( 0.000 1.091 0.134) 1.099 14.493 ( 0.000 3.834 -0.505) 3.867 14.495 ( 0.000 -1.188 3.468) 3.666 14.571 ( 0.000 -0.291 4.468) 4.478 14.628 ( 0.000 -0.040 -1.874) 1.874 14.671 ( 0.000 -2.186 -1.689) 2.763 14.882 ( 0.000 7.595 2.486) 7.992 15.083 ( 0.000 3.988 18.179) 18.611 15.171 ( 0.000 -3.735 -4.737) 6.033 15.618 ( 0.000 7.062 -11.320) 13.342 15.645 ( 0.000 -0.849 -7.544) 7.592 15.857 ( 0.000 -8.017 -8.153) 11.434 15.876 ( 0.000 -0.975 1.895) 2.131 15.983 ( 0.000 -5.862 4.666) 7.492 16.182 ( 0.000 -1.627 -1.471) 2.193 16.272 ( 0.000 -6.207 -10.638) 12.316 16.313 ( 0.000 1.030 -9.189) 9.247 16.756 ( 0.000 -20.249 2.265) 20.375 17.257 ( 0.000 -1.467 0.769) 1.656 17.406 ( 0.000 8.181 -7.576) 11.150 17.443 ( 0.000 4.613 -5.886) 7.478 17.639 ( 0.000 -27.192 13.956) 30.565 17.939 ( 0.000 6.194 3.665) 7.197 18.241 ( 0.000 -2.224 -7.960) 8.265 18.563 ( 0.000 3.478 3.363) 4.838 18.833 ( 0.000 -7.951 0.930) 8.005 19.445 ( 0.000 11.880 -5.680) 13.168 19.834 ( 0.000 -7.673 -0.232) 7.677 19.977 ( 0.000 8.357 4.054) 9.288 20.178 ( 0.000 -0.543 0.384) 0.665 20.770 ( 0.000 3.928 -12.573) 13.172 20.960 ( 0.000 -0.488 -5.567) 5.588 21.266 ( 0.000 11.996 -16.564) 20.452 21.667 ( 0.000 -2.395 -11.319) 11.570 21.837 ( 0.000 1.251 -9.091) 9.176 21.893 ( 0.000 -0.917 -6.342) 6.408 21.988 ( 0.000 3.980 3.111) 5.052 22.240 ( 0.000 -4.542 0.846) 4.620 22.678 ( 0.000 -0.385 0.127) 0.405 22.699 ( 0.000 -1.046 -9.954) 10.009 22.765 ( 0.000 1.791 -2.897) 3.406 22.836 ( 0.000 -0.937 8.106) 8.160 23.310 ( 0.000 2.604 -12.084) 12.361 23.499 ( 0.000 -4.215 -9.811) 10.678 ======================= Grid point 49 (22/36) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -2.044 2.291 17.759) 18.022 1.842 ( -4.973 1.503 23.784) 24.345 1.976 ( 1.983 5.685 19.798) 20.693 2.094 ( -6.009 1.606 16.286) 17.434 2.310 ( 6.593 -5.087 7.892) 11.473 2.448 ( -4.662 -3.115 9.958) 11.428 2.614 ( 3.069 -9.720 5.293) 11.485 2.642 ( 2.418 -1.323 9.244) 9.646 2.694 ( -0.586 3.213 2.269) 3.977 2.727 ( -2.814 -4.244 5.445) 7.455 2.810 ( 2.107 -5.569 4.680) 7.573 2.847 ( -1.016 -1.350 2.743) 3.221 2.965 ( 4.651 3.925 8.815) 10.712 3.027 ( 0.936 -4.522 -3.039) 5.528 3.052 ( -1.097 -3.848 2.802) 4.885 3.067 ( -2.249 -4.236 -0.357) 4.809 3.184 ( -2.909 -1.203 9.413) 9.925 3.187 ( -1.621 -9.310 -0.226) 9.453 3.429 ( 1.451 -4.627 8.204) 9.530 3.443 ( -0.033 1.407 5.644) 5.817 3.486 ( 2.106 -1.139 9.168) 9.475 3.510 ( -0.297 -1.900 3.478) 3.974 3.710 ( 2.069 3.865 2.241) 4.924 3.735 ( 0.836 2.938 1.546) 3.424 3.942 ( 2.144 2.984 -1.169) 3.856 3.955 ( 2.209 2.008 -2.309) 3.774 3.995 ( 1.305 2.358 0.833) 2.821 4.011 ( -0.196 3.128 0.211) 3.141 4.058 ( -1.343 4.842 2.932) 5.818 4.062 ( -0.029 1.067 -1.633) 1.951 4.145 ( 1.045 7.258 -0.916) 7.390 4.215 ( 2.731 2.415 -2.500) 4.420 4.452 ( 2.381 -0.638 -3.462) 4.250 4.481 ( 1.459 -1.192 -6.132) 6.415 4.546 ( 0.108 3.574 0.650) 3.634 4.622 ( -0.674 3.508 2.109) 4.148 4.670 ( -3.118 0.229 -1.986) 3.704 4.751 ( -2.636 0.592 -0.861) 2.835 4.803 ( 0.245 3.649 -7.348) 8.208 4.916 ( -6.345 0.880 -5.830) 8.661 4.943 ( -2.289 -0.744 -1.435) 2.802 4.959 ( -3.761 -1.255 -3.724) 5.439 5.084 ( 2.027 -3.525 15.144) 15.680 5.126 ( -1.336 -3.549 19.039) 19.413 5.269 ( 5.808 0.989 -4.354) 7.326 5.333 ( -0.359 0.578 -8.173) 8.202 5.355 ( 0.925 -1.173 0.125) 1.499 5.389 ( -1.731 2.159 2.175) 3.519 5.549 ( 2.234 0.631 3.377) 4.098 5.570 ( 2.313 -0.509 2.982) 3.808 5.598 ( 0.964 0.378 1.801) 2.077 5.676 ( -0.522 -1.996 3.166) 3.779 5.723 ( 2.896 0.755 1.091) 3.186 5.796 ( 2.896 -2.310 5.494) 6.626 5.846 ( 0.848 -1.205 10.614) 10.716 5.913 ( -0.459 -1.314 3.102) 3.400 5.947 ( -0.733 0.149 8.024) 8.059 6.065 ( -4.210 -2.084 8.878) 10.044 6.157 ( 1.092 1.004 1.409) 2.046 6.197 ( -2.299 0.005 11.996) 12.215 6.228 ( -2.807 -0.207 2.879) 4.026 6.311 ( -7.041 -3.308 6.431) 10.093 6.464 ( 5.415 1.808 2.595) 6.270 6.581 ( -2.000 0.279 0.442) 2.067 6.670 ( 0.722 1.484 1.928) 2.538 6.744 ( -2.843 1.065 -2.086) 3.683 6.785 ( 4.032 0.945 0.070) 4.142 6.853 ( 1.476 2.347 0.708) 2.862 6.877 ( 3.925 -0.904 -4.009) 5.683 6.965 ( 3.985 -0.974 -4.939) 6.420 7.043 ( 2.154 -1.671 4.060) 4.890 7.067 ( -6.195 1.004 3.160) 7.027 7.081 ( -5.454 -2.044 -7.459) 9.464 7.141 ( -0.619 0.451 -0.653) 1.007 7.214 ( -0.495 3.184 1.820) 3.701 7.272 ( -3.066 0.240 2.930) 4.247 7.453 ( 7.401 2.307 -4.798) 9.117 7.535 ( -0.050 0.273 2.766) 2.780 7.584 ( -1.294 -0.603 2.239) 2.655 7.613 ( 1.792 2.840 -0.330) 3.375 7.664 ( 1.961 -1.665 -0.408) 2.604 7.723 ( -1.964 -2.346 0.014) 3.060 7.780 ( 0.314 1.117 4.007) 4.172 7.843 ( -2.497 3.907 -0.141) 4.638 7.954 ( 4.435 -2.738 -5.430) 7.527 8.026 ( -1.333 -1.738 -4.587) 5.083 8.092 ( -2.281 0.624 4.155) 4.781 8.111 ( -2.497 0.453 8.606) 8.973 8.302 ( 1.062 -1.082 -1.099) 1.872 8.331 ( -1.267 -0.329 -2.430) 2.760 8.366 ( 2.575 1.039 0.785) 2.886 8.433 ( -2.349 -0.689 -1.050) 2.664 8.621 ( 2.880 1.844 2.651) 4.327 8.694 ( -3.105 -0.466 2.156) 3.809 8.878 ( 4.129 1.963 -10.509) 11.461 8.944 ( 0.474 -0.939 4.246) 4.374 8.996 ( -0.169 -0.975 4.134) 4.250 9.033 ( -4.509 -0.096 -6.693) 8.071 9.423 ( 0.769 -2.138 -5.354) 5.816 9.454 ( -1.313 -1.820 -7.636) 7.959 9.581 ( 3.620 2.249 5.550) 6.997 9.644 ( -1.845 -0.437 6.473) 6.745 9.884 ( 3.847 2.077 0.629) 4.417 9.958 ( -1.764 -0.724 2.052) 2.801 10.032 ( 1.377 0.345 -5.438) 5.620 10.049 ( -0.421 -0.076 -5.611) 5.627 10.081 ( 0.167 0.286 -9.291) 9.297 10.113 ( -2.425 -1.101 -11.252) 11.563 10.372 ( 1.287 0.811 -1.313) 2.010 10.407 ( -1.542 -0.458 2.659) 3.108 10.985 ( 1.029 -0.049 -9.088) 9.146 11.002 ( -0.329 -0.658 -9.952) 9.979 11.192 ( 1.177 0.899 -12.341) 12.429 11.223 ( -1.272 -0.123 -13.588) 13.648 11.339 ( 1.989 0.758 -14.099) 14.258 11.386 ( -1.789 -0.889 -14.559) 14.696 11.901 ( 0.984 0.045 15.384) 15.415 11.931 ( -1.401 -1.084 16.540) 16.634 12.559 ( 1.159 1.184 0.471) 1.722 12.586 ( -0.907 0.435 1.098) 1.489 12.881 ( 0.668 0.655 15.969) 15.997 12.900 ( -0.796 -0.181 16.038) 16.059 13.071 ( 2.845 0.262 -3.215) 4.301 13.128 ( -1.902 -0.386 2.982) 3.559 13.177 ( -0.934 -0.159 -1.576) 1.838 13.233 ( -4.527 0.229 -4.249) 6.213 13.353 ( 3.751 1.275 1.959) 4.420 13.401 ( -0.675 0.450 -1.466) 1.675 13.418 ( 2.949 1.928 -6.205) 7.136 13.492 ( -1.368 -0.698 1.141) 1.913 13.932 ( 3.717 2.188 -3.442) 5.518 13.999 ( 1.129 1.369 8.147) 8.338 14.075 ( 2.414 3.584 6.138) 7.506 14.243 ( -7.929 0.572 10.570) 13.226 14.308 ( 2.226 1.347 4.473) 5.175 14.376 ( -3.387 0.678 3.273) 4.758 14.404 ( 1.198 -1.416 5.112) 5.438 14.444 ( -2.178 -0.546 4.110) 4.684 14.511 ( 1.443 -0.911 1.376) 2.192 14.557 ( -2.681 -0.659 -0.305) 2.778 14.640 ( 3.571 2.320 0.295) 4.269 14.701 ( -0.978 1.357 -1.226) 2.074 14.961 ( 6.286 1.614 -0.536) 6.512 15.092 ( -3.635 -2.373 0.095) 4.342 15.234 ( 9.482 3.775 15.966) 18.949 15.516 ( -11.766 2.975 1.756) 12.263 15.647 ( 2.613 1.724 -5.554) 6.375 15.756 ( -7.182 -8.253 6.173) 12.562 15.849 ( 1.157 -0.145 0.643) 1.332 15.926 ( -4.332 -1.648 3.789) 5.987 16.193 ( 1.408 -7.295 -6.583) 9.926 16.241 ( -1.998 -9.318 -8.034) 12.465 16.418 ( 6.785 0.816 -12.221) 14.001 16.588 ( -9.067 -7.875 -9.519) 15.324 17.194 ( 1.817 -1.967 -3.429) 4.350 17.283 ( -5.042 -0.421 -4.952) 7.080 17.681 ( 9.559 7.656 0.212) 12.249 17.821 ( -0.643 -1.484 2.138) 2.680 18.056 ( 14.299 -9.028 1.480) 16.975 18.237 ( -0.921 0.610 -7.371) 7.453 18.495 ( -1.876 -5.670 5.099) 7.853 18.674 ( -12.499 -8.909 2.775) 15.598 19.444 ( 5.798 6.058 -1.850) 8.587 19.680 ( -12.993 7.271 -1.460) 14.960 20.188 ( 17.404 -3.902 0.972) 17.863 20.394 ( 5.905 -3.180 -0.463) 6.723 20.683 ( -0.839 6.629 -10.399) 12.360 20.901 ( -11.197 -3.778 -16.111) 19.980 21.272 ( 6.741 10.241 -7.063) 14.149 21.499 ( -10.640 3.483 -8.558) 14.092 21.843 ( 1.871 0.906 -8.710) 8.955 21.905 ( -2.010 0.000 -8.368) 8.606 22.123 ( 7.929 1.098 0.092) 8.005 22.233 ( -1.633 -1.297 -0.079) 2.087 22.670 ( -0.215 -0.098 -8.473) 8.476 22.696 ( -0.594 -0.314 -9.728) 9.752 22.747 ( 0.428 1.238 6.557) 6.687 22.801 ( -2.721 -0.587 8.158) 8.620 23.380 ( 4.680 -0.036 -11.751) 12.649 23.469 ( -2.704 -3.081 -10.541) 11.310 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 -1.243 10.796) 10.867 1.933 ( 0.000 1.243 10.796) 10.867 2.121 ( 0.000 -2.881 14.419) 14.704 2.121 ( 0.000 2.881 14.419) 14.704 2.236 ( 0.000 -11.076 12.266) 16.527 2.236 ( 0.000 11.076 12.266) 16.527 2.573 ( 0.000 -5.854 13.178) 14.420 2.573 ( 0.000 5.854 13.178) 14.420 2.679 ( 0.000 -6.966 4.434) 8.257 2.679 ( 0.000 6.966 4.434) 8.257 2.806 ( 0.000 -3.441 -3.573) 4.961 2.806 ( 0.000 3.441 -3.573) 4.961 2.941 ( 0.000 -5.712 1.680) 5.954 2.941 ( 0.000 5.712 1.680) 5.954 3.048 ( 0.000 -1.273 0.120) 1.279 3.048 ( 0.000 1.273 0.120) 1.279 3.156 ( 0.000 -10.585 11.427) 15.576 3.156 ( 0.000 10.585 11.427) 15.576 3.392 ( 0.000 -0.451 6.321) 6.337 3.392 ( 0.000 0.451 6.321) 6.337 3.487 ( 0.000 -3.370 9.262) 9.856 3.487 ( 0.000 3.370 9.262) 9.856 3.717 ( 0.000 -0.196 2.383) 2.391 3.717 ( 0.000 0.196 2.383) 2.391 3.932 ( 0.000 -0.782 2.000) 2.147 3.932 ( 0.000 0.782 2.000) 2.147 4.042 ( 0.000 -0.303 1.545) 1.575 4.042 ( 0.000 0.303 1.545) 1.575 4.048 ( 0.000 -0.423 -1.844) 1.892 4.048 ( 0.000 0.423 -1.844) 1.892 4.268 ( 0.000 -2.182 2.024) 2.976 4.268 ( 0.000 2.182 2.024) 2.976 4.413 ( 0.000 -0.907 -7.225) 7.282 4.413 ( 0.000 0.907 -7.225) 7.282 4.645 ( 0.000 -1.764 0.687) 1.893 4.645 ( 0.000 1.764 0.687) 1.893 4.786 ( 0.000 -3.770 -3.922) 5.440 4.786 ( 0.000 3.770 -3.922) 5.440 4.956 ( 0.000 -1.710 7.596) 7.786 4.956 ( 0.000 1.710 7.596) 7.786 5.000 ( 0.000 -3.896 2.056) 4.405 5.000 ( 0.000 3.896 2.056) 4.405 5.066 ( 0.000 -4.590 7.853) 9.096 5.066 ( 0.000 4.590 7.853) 9.096 5.167 ( 0.000 -4.715 -10.530) 11.537 5.167 ( 0.000 4.715 -10.530) 11.537 5.406 ( 0.000 -0.471 0.464) 0.662 5.406 ( 0.000 0.471 0.464) 0.662 5.533 ( 0.000 -0.031 3.548) 3.548 5.533 ( 0.000 0.031 3.548) 3.548 5.604 ( 0.000 -0.797 4.594) 4.662 5.604 ( 0.000 0.797 4.594) 4.662 5.710 ( 0.000 -3.580 -0.405) 3.603 5.710 ( 0.000 3.580 -0.405) 3.603 5.859 ( 0.000 -2.793 6.337) 6.926 5.859 ( 0.000 2.793 6.337) 6.926 6.059 ( 0.000 -3.686 3.301) 4.947 6.059 ( 0.000 3.686 3.301) 4.947 6.219 ( 0.000 -3.756 0.665) 3.815 6.219 ( 0.000 3.756 0.665) 3.815 6.321 ( 0.000 -0.785 14.185) 14.206 6.321 ( 0.000 0.785 14.185) 14.206 6.485 ( 0.000 -0.786 0.819) 1.135 6.485 ( 0.000 0.786 0.819) 1.135 6.659 ( 0.000 -1.815 3.608) 4.039 6.659 ( 0.000 1.815 3.608) 4.039 6.821 ( 0.000 -1.628 -0.736) 1.787 6.821 ( 0.000 1.628 -0.736) 1.787 6.903 ( 0.000 -3.607 2.649) 4.476 6.903 ( 0.000 3.607 2.649) 4.476 7.047 ( 0.000 -2.425 -9.935) 10.227 7.047 ( 0.000 2.425 -9.935) 10.227 7.149 ( 0.000 -3.272 -0.338) 3.290 7.149 ( 0.000 3.272 -0.338) 3.290 7.326 ( 0.000 -0.139 -2.576) 2.580 7.326 ( 0.000 0.139 -2.576) 2.580 7.503 ( 0.000 -6.362 5.162) 8.193 7.503 ( 0.000 6.362 5.162) 8.193 7.566 ( 0.000 -0.895 0.620) 1.089 7.566 ( 0.000 0.895 0.620) 1.089 7.681 ( 0.000 -2.375 0.412) 2.411 7.681 ( 0.000 2.375 0.412) 2.411 7.800 ( 0.000 -0.335 -1.244) 1.289 7.800 ( 0.000 0.335 -1.244) 1.289 7.977 ( 0.000 -4.550 -4.806) 6.618 7.977 ( 0.000 4.550 -4.806) 6.618 8.160 ( 0.000 -1.116 6.136) 6.236 8.160 ( 0.000 1.116 6.136) 6.236 8.296 ( 0.000 -1.697 1.077) 2.010 8.296 ( 0.000 1.697 1.077) 2.010 8.407 ( 0.000 -2.073 -1.567) 2.599 8.407 ( 0.000 2.073 -1.567) 2.599 8.658 ( 0.000 -3.920 2.039) 4.419 8.658 ( 0.000 3.920 2.039) 4.419 8.926 ( 0.000 -3.716 1.613) 4.051 8.926 ( 0.000 3.716 1.613) 4.051 8.991 ( 0.000 -4.931 -5.915) 7.701 8.991 ( 0.000 4.931 -5.915) 7.701 9.458 ( 0.000 -0.617 -7.749) 7.774 9.458 ( 0.000 0.617 -7.749) 7.774 9.578 ( 0.000 -3.777 8.344) 9.159 9.578 ( 0.000 3.777 8.344) 9.159 9.932 ( 0.000 -3.647 0.606) 3.697 9.932 ( 0.000 3.647 0.606) 3.697 10.037 ( 0.000 -1.712 -4.646) 4.951 10.037 ( 0.000 1.712 -4.646) 4.951 10.096 ( 0.000 -0.961 -11.186) 11.227 10.096 ( 0.000 0.961 -11.186) 11.227 10.392 ( 0.000 -1.872 0.980) 2.113 10.392 ( 0.000 1.872 0.980) 2.113 10.980 ( 0.000 -0.804 -9.709) 9.742 10.980 ( 0.000 0.804 -9.709) 9.742 11.217 ( 0.000 -1.644 -12.307) 12.417 11.217 ( 0.000 1.644 -12.307) 12.417 11.358 ( 0.000 -2.473 -14.855) 15.059 11.358 ( 0.000 2.473 -14.855) 15.059 11.912 ( 0.000 -1.485 16.237) 16.304 11.912 ( 0.000 1.485 16.237) 16.304 12.575 ( 0.000 -1.310 0.812) 1.541 12.575 ( 0.000 1.310 0.812) 1.541 12.900 ( 0.000 -0.816 15.386) 15.408 12.900 ( 0.000 0.816 15.386) 15.408 13.116 ( 0.000 -4.310 -6.770) 8.026 13.116 ( 0.000 4.310 -6.770) 8.026 13.248 ( 0.000 -0.955 9.300) 9.349 13.248 ( 0.000 0.955 9.300) 9.349 13.359 ( 0.000 -1.215 -10.313) 10.384 13.359 ( 0.000 1.215 -10.313) 10.384 13.435 ( 0.000 -0.650 -0.139) 0.665 13.435 ( 0.000 0.650 -0.139) 0.665 14.004 ( 0.000 -5.183 -3.909) 6.492 14.004 ( 0.000 5.183 -3.909) 6.492 14.173 ( 0.000 -10.738 13.367) 17.146 14.173 ( 0.000 10.738 13.367) 17.146 14.332 ( 0.000 -2.846 5.723) 6.391 14.332 ( 0.000 2.846 5.723) 6.391 14.454 ( 0.000 -2.035 2.227) 3.016 14.454 ( 0.000 2.035 2.227) 3.016 14.557 ( 0.000 -0.764 2.571) 2.682 14.557 ( 0.000 0.764 2.571) 2.682 14.634 ( 0.000 -0.456 -2.494) 2.535 14.634 ( 0.000 0.456 -2.494) 2.535 15.064 ( 0.000 -6.365 -3.094) 7.077 15.064 ( 0.000 6.365 -3.094) 7.077 15.333 ( 0.000 -20.345 15.461) 25.553 15.333 ( 0.000 20.345 15.461) 25.553 15.788 ( 0.000 -6.139 -0.994) 6.219 15.788 ( 0.000 6.139 -0.994) 6.219 15.857 ( 0.000 -0.000 -0.895) 0.895 15.857 ( 0.000 0.000 -0.895) 0.895 16.157 ( 0.000 -2.300 -1.161) 2.577 16.157 ( 0.000 2.300 -1.161) 2.577 16.412 ( 0.000 -8.636 -7.743) 11.599 16.412 ( 0.000 8.636 -7.743) 11.599 17.293 ( 0.000 -3.659 5.568) 6.662 17.293 ( 0.000 3.659 5.568) 6.662 17.507 ( 0.000 -0.053 -6.338) 6.339 17.507 ( 0.000 0.053 -6.338) 6.339 18.127 ( 0.000 -8.361 -2.064) 8.612 18.127 ( 0.000 8.361 -2.064) 8.612 18.660 ( 0.000 -5.230 2.852) 5.957 18.660 ( 0.000 5.230 2.852) 5.957 19.650 ( 0.000 -6.014 -0.973) 6.092 19.650 ( 0.000 6.014 -0.973) 6.092 20.124 ( 0.000 -2.489 0.645) 2.571 20.124 ( 0.000 2.489 0.645) 2.571 20.879 ( 0.000 -5.175 -12.651) 13.669 20.879 ( 0.000 5.175 -12.651) 13.669 21.543 ( 0.000 -9.346 -14.939) 17.621 21.543 ( 0.000 9.346 -14.939) 17.621 21.867 ( 0.000 -0.800 -7.031) 7.077 21.867 ( 0.000 0.800 -7.031) 7.077 22.109 ( 0.000 -6.208 1.511) 6.389 22.109 ( 0.000 6.208 1.511) 6.389 22.679 ( 0.000 -0.427 -6.550) 6.564 22.679 ( 0.000 0.427 -6.550) 6.564 22.806 ( 0.000 -1.718 4.157) 4.498 22.806 ( 0.000 1.718 4.157) 4.498 23.394 ( 0.000 -4.805 -10.331) 11.394 23.394 ( 0.000 4.805 -10.331) 11.394 ======================= Grid point 53 (24/36) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -2.441 0.000 18.346) 18.508 1.884 ( -6.528 0.000 19.286) 20.360 2.074 ( 1.540 0.000 12.917) 13.008 2.126 ( -2.083 0.000 11.255) 11.446 2.295 ( 5.566 0.000 10.142) 11.569 2.342 ( 5.649 -0.000 11.839) 13.117 2.437 ( -6.105 0.000 13.699) 14.998 2.491 ( -6.516 -0.000 10.488) 12.348 2.727 ( 2.651 0.000 4.740) 5.431 2.763 ( -0.982 0.000 -0.549) 1.125 2.800 ( 4.350 0.000 1.410) 4.573 2.837 ( 0.997 -0.000 -1.564) 1.855 2.935 ( -1.484 -0.000 1.031) 1.807 2.937 ( -1.431 0.000 2.454) 2.841 3.018 ( 0.104 -0.000 -1.376) 1.380 3.022 ( -0.254 0.000 2.019) 2.035 3.182 ( 1.358 0.000 6.139) 6.287 3.213 ( -0.207 -0.000 5.436) 5.440 3.285 ( 1.105 0.000 13.901) 13.945 3.380 ( -4.708 0.000 8.444) 9.668 3.519 ( 2.317 -0.000 8.357) 8.672 3.531 ( 0.673 0.000 6.659) 6.693 3.756 ( 2.303 0.000 3.444) 4.143 3.758 ( 2.255 -0.000 3.150) 3.874 3.979 ( 1.971 -0.000 -2.902) 3.508 3.990 ( 3.093 0.000 -0.424) 3.122 4.017 ( -1.350 0.000 -1.118) 1.753 4.044 ( 0.448 0.000 1.472) 1.539 4.077 ( 1.801 0.000 0.389) 1.842 4.089 ( 0.600 0.000 1.287) 1.420 4.257 ( 3.071 0.000 -2.095) 3.717 4.258 ( -0.678 -0.000 -0.166) 0.698 4.431 ( 4.159 0.000 -2.711) 4.964 4.471 ( 0.813 0.000 -4.062) 4.142 4.617 ( -2.411 -0.000 -2.766) 3.669 4.665 ( -2.881 0.000 2.250) 3.655 4.692 ( -3.881 0.000 -1.567) 4.185 4.758 ( -3.368 0.000 0.616) 3.424 4.848 ( -2.776 0.000 -3.192) 4.230 4.881 ( -2.043 0.000 -5.323) 5.701 4.936 ( -2.842 0.000 -3.106) 4.209 4.958 ( -2.469 0.000 -4.810) 5.407 5.059 ( 1.253 0.000 24.773) 24.805 5.070 ( 0.678 0.000 16.089) 16.103 5.280 ( 4.847 0.000 -5.334) 7.208 5.330 ( 3.241 0.000 -11.900) 12.334 5.353 ( 0.712 -0.000 -3.796) 3.862 5.424 ( -1.502 0.000 3.329) 3.652 5.547 ( 2.418 0.000 1.288) 2.739 5.565 ( 1.849 0.000 6.489) 6.748 5.587 ( 2.649 0.000 2.894) 3.923 5.649 ( -1.426 0.000 0.693) 1.586 5.743 ( 0.574 0.000 1.864) 1.950 5.754 ( 2.559 -0.000 3.640) 4.449 5.836 ( 2.660 0.000 11.719) 12.017 5.896 ( -0.035 0.000 -0.033) 0.048 5.952 ( -3.251 0.000 4.287) 5.380 6.043 ( -5.795 0.000 9.207) 10.879 6.182 ( -1.593 0.000 1.287) 2.047 6.191 ( -2.301 0.000 -1.307) 2.647 6.211 ( -2.098 0.000 15.223) 15.367 6.268 ( -4.664 0.000 9.247) 10.357 6.489 ( 5.200 0.000 1.617) 5.446 6.586 ( -1.822 0.000 0.512) 1.892 6.697 ( 6.027 0.000 3.429) 6.934 6.749 ( 0.357 0.000 0.308) 0.472 6.795 ( 2.925 -0.000 0.501) 2.967 6.873 ( 0.301 0.000 -2.988) 3.003 6.880 ( 3.860 0.000 0.557) 3.900 6.963 ( 1.856 0.000 -7.628) 7.850 7.027 ( -0.408 0.000 3.724) 3.746 7.033 ( -3.056 -0.000 -9.247) 9.739 7.103 ( -6.579 0.000 1.449) 6.737 7.125 ( -2.494 -0.000 4.522) 5.164 7.231 ( 1.239 0.000 3.687) 3.889 7.309 ( -3.863 0.000 -6.655) 7.694 7.499 ( 1.051 0.000 5.387) 5.488 7.520 ( 3.510 0.000 -2.549) 4.338 7.598 ( -3.391 0.000 5.448) 6.417 7.615 ( 1.416 -0.000 -7.224) 7.361 7.649 ( 3.376 0.000 1.915) 3.881 7.703 ( -1.957 0.000 -0.834) 2.127 7.803 ( 3.050 0.000 3.536) 4.670 7.894 ( -0.317 0.000 -1.716) 1.745 7.919 ( 1.547 0.000 -4.770) 5.014 7.990 ( -0.126 0.000 -1.783) 1.788 8.100 ( -2.762 0.000 3.087) 4.142 8.116 ( -2.948 0.000 9.446) 9.896 8.290 ( 0.805 0.000 -1.092) 1.357 8.327 ( -2.131 0.000 -2.170) 3.041 8.379 ( 2.291 -0.000 1.982) 3.029 8.422 ( -0.837 0.000 -1.707) 1.901 8.662 ( 0.747 0.000 1.131) 1.355 8.673 ( 0.207 -0.000 2.488) 2.496 8.903 ( 0.399 0.000 0.175) 0.436 8.938 ( -2.245 0.000 -0.753) 2.368 8.991 ( 2.484 0.000 -2.765) 3.717 9.018 ( 0.199 0.000 -4.604) 4.608 9.405 ( -1.421 -0.000 -3.124) 3.432 9.420 ( -2.461 0.000 -7.399) 7.798 9.619 ( 2.364 0.000 7.071) 7.456 9.628 ( 1.634 0.000 2.787) 3.231 9.923 ( 0.338 -0.000 0.064) 0.344 9.939 ( -0.533 0.000 3.050) 3.096 10.033 ( 0.739 0.000 -6.949) 6.989 10.050 ( -0.102 0.000 -4.010) 4.011 10.089 ( -0.182 0.000 -10.943) 10.944 10.094 ( -0.391 0.000 -10.439) 10.446 10.390 ( 0.135 0.000 0.581) 0.597 10.394 ( -0.104 0.000 0.276) 0.295 10.986 ( 0.589 0.000 -8.999) 9.018 10.991 ( 0.333 0.000 -9.867) 9.872 11.212 ( -0.160 0.000 -12.554) 12.555 11.214 ( -0.277 -0.000 -13.074) 13.077 11.359 ( 0.329 -0.000 -14.325) 14.328 11.364 ( 0.040 0.000 -14.481) 14.481 11.908 ( -0.088 0.000 15.758) 15.758 11.910 ( -0.217 -0.000 16.026) 16.028 12.580 ( 0.614 -0.000 1.833) 1.933 12.587 ( 0.312 0.000 0.636) 0.709 12.893 ( -0.337 0.000 14.519) 14.523 12.895 ( -0.446 -0.000 16.432) 16.438 13.088 ( -0.841 0.000 0.152) 0.854 13.101 ( -2.000 0.000 -2.175) 2.955 13.187 ( 0.253 0.000 -1.208) 1.234 13.228 ( -2.879 0.000 -5.627) 6.321 13.376 ( 2.018 0.000 0.062) 2.019 13.407 ( -0.938 0.000 1.576) 1.834 13.448 ( 3.368 0.000 -6.674) 7.476 13.478 ( 0.992 0.000 -2.188) 2.402 13.976 ( -0.617 0.000 -2.231) 2.315 13.991 ( -1.414 -0.000 -3.733) 3.992 14.190 ( 1.454 0.000 15.667) 15.734 14.200 ( 0.912 -0.000 12.503) 12.536 14.341 ( 1.522 0.000 5.659) 5.860 14.361 ( 1.610 0.000 5.937) 6.151 14.399 ( -2.456 0.000 2.359) 3.405 14.432 ( -3.977 -0.000 3.751) 5.467 14.500 ( 1.333 0.000 1.027) 1.683 14.548 ( -2.859 0.000 -1.570) 3.262 14.687 ( 4.134 0.000 1.070) 4.270 14.710 ( 2.104 0.000 -2.534) 3.293 15.020 ( -1.214 0.000 -2.077) 2.406 15.044 ( -2.862 0.000 0.730) 2.954 15.347 ( 6.752 0.000 4.427) 8.074 15.475 ( 5.939 0.000 7.356) 9.454 15.613 ( -10.769 0.000 9.630) 14.446 15.673 ( -7.460 0.000 26.866) 27.883 15.876 ( 1.151 0.000 -10.746) 10.807 15.901 ( -0.070 0.000 3.303) 3.304 16.072 ( -2.115 0.000 -3.365) 3.974 16.099 ( -2.779 0.000 -3.577) 4.530 16.441 ( 3.509 -0.000 -10.549) 11.117 16.479 ( 0.609 0.000 -17.027) 17.038 17.170 ( 1.210 0.000 -3.026) 3.258 17.277 ( -7.640 0.000 -5.554) 9.446 17.749 ( 20.994 0.000 4.092) 21.389 17.784 ( 10.816 -0.000 -3.583) 11.394 18.042 ( -3.204 0.000 0.196) 3.210 18.245 ( 0.583 0.000 -7.660) 7.682 18.358 ( -8.571 -0.000 11.772) 14.562 18.603 ( -12.990 0.000 2.616) 13.251 19.505 ( 5.924 0.000 -0.810) 5.979 19.766 ( -14.165 0.000 -3.268) 14.537 20.136 ( 19.487 0.000 0.502) 19.493 20.360 ( 3.489 0.000 1.194) 3.687 20.785 ( -3.487 0.000 -10.905) 11.449 20.831 ( -7.674 -0.000 -15.542) 17.333 21.414 ( 1.384 0.000 -10.674) 10.764 21.537 ( -5.828 0.000 -12.792) 14.057 21.854 ( 1.638 0.000 -8.334) 8.494 21.909 ( -2.491 0.000 -8.970) 9.309 22.143 ( 6.797 0.000 -0.164) 6.799 22.209 ( 1.757 0.000 -0.611) 1.860 22.668 ( 0.543 0.000 -6.631) 6.653 22.694 ( -0.201 0.000 -10.487) 10.489 22.767 ( -1.275 0.000 8.877) 8.968 22.789 ( -1.841 0.000 5.071) 5.395 23.402 ( 0.567 0.000 -10.711) 10.726 23.405 ( 0.411 -0.000 -10.638) 10.646 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 0.000 17.176) 17.176 2.339 ( 0.000 0.000 24.878) 24.878 2.384 ( 0.000 0.000 15.819) 15.819 2.478 ( 0.000 0.000 7.686) 7.686 2.527 ( 0.000 0.000 2.629) 2.629 2.549 ( 0.000 0.000 15.059) 15.059 2.682 ( 0.000 0.000 -1.818) 1.818 2.767 ( 0.000 0.000 4.128) 4.128 2.776 ( 0.000 0.000 -4.330) 4.330 2.780 ( 0.000 0.000 4.252) 4.252 2.862 ( 0.000 0.000 -1.058) 1.058 2.960 ( 0.000 0.000 1.491) 1.491 3.057 ( 0.000 0.000 9.845) 9.845 3.063 ( 0.000 0.000 2.755) 2.755 3.174 ( 0.000 0.000 -12.514) 12.514 3.272 ( 0.000 0.000 -12.436) 12.436 3.286 ( 0.000 0.000 -1.760) 1.760 3.368 ( 0.000 0.000 -0.033) 0.033 3.388 ( 0.000 0.000 7.247) 7.247 3.531 ( 0.000 0.000 -0.834) 0.834 3.555 ( 0.000 0.000 10.521) 10.521 3.590 ( 0.000 0.000 6.803) 6.803 3.666 ( 0.000 0.000 1.040) 1.040 3.707 ( 0.000 0.000 -0.305) 0.305 3.896 ( 0.000 0.000 1.118) 1.118 3.918 ( 0.000 0.000 -0.862) 0.862 3.920 ( 0.000 0.000 -0.402) 0.402 3.929 ( 0.000 0.000 -1.808) 1.808 4.018 ( 0.000 0.000 6.891) 6.891 4.069 ( 0.000 0.000 6.306) 6.306 4.122 ( 0.000 0.000 -0.672) 0.672 4.164 ( 0.000 0.000 3.621) 3.621 4.329 ( 0.000 0.000 -2.386) 2.386 4.383 ( 0.000 0.000 -1.958) 1.958 4.406 ( 0.000 0.000 -8.554) 8.554 4.514 ( 0.000 0.000 -4.556) 4.556 4.546 ( 0.000 0.000 -0.716) 0.716 4.666 ( 0.000 0.000 -10.525) 10.525 4.742 ( 0.000 0.000 -9.474) 9.474 4.807 ( 0.000 0.000 -23.101) 23.101 4.817 ( 0.000 0.000 -8.824) 8.824 4.871 ( 0.000 0.000 -3.657) 3.657 5.046 ( 0.000 0.000 3.489) 3.489 5.165 ( 0.000 0.000 5.729) 5.729 5.188 ( 0.000 0.000 -1.378) 1.378 5.388 ( 0.000 0.000 1.113) 1.113 5.538 ( 0.000 0.000 3.961) 3.961 5.586 ( 0.000 0.000 1.770) 1.770 5.617 ( 0.000 0.000 4.619) 4.619 5.626 ( 0.000 0.000 4.909) 4.909 5.657 ( 0.000 0.000 8.374) 8.374 5.814 ( 0.000 0.000 4.969) 4.969 5.828 ( 0.000 0.000 6.724) 6.724 5.950 ( 0.000 0.000 2.985) 2.985 6.016 ( 0.000 0.000 15.085) 15.085 6.144 ( 0.000 0.000 9.883) 9.883 6.192 ( 0.000 0.000 11.704) 11.704 6.193 ( 0.000 0.000 11.295) 11.295 6.197 ( 0.000 0.000 6.263) 6.263 6.239 ( 0.000 0.000 -3.078) 3.078 6.294 ( 0.000 0.000 -1.479) 1.479 6.504 ( 0.000 0.000 -2.600) 2.600 6.583 ( 0.000 0.000 -2.854) 2.854 6.699 ( 0.000 0.000 -2.811) 2.811 6.708 ( 0.000 0.000 4.978) 4.978 6.745 ( 0.000 0.000 0.390) 0.390 6.760 ( 0.000 0.000 -1.756) 1.756 6.787 ( 0.000 0.000 -1.620) 1.620 6.806 ( 0.000 0.000 5.623) 5.623 6.829 ( 0.000 0.000 -3.910) 3.910 6.950 ( 0.000 0.000 -5.785) 5.785 7.010 ( 0.000 0.000 7.363) 7.363 7.115 ( 0.000 0.000 -10.058) 10.058 7.220 ( 0.000 0.000 2.844) 2.844 7.263 ( 0.000 0.000 5.250) 5.250 7.367 ( 0.000 0.000 12.105) 12.105 7.382 ( 0.000 0.000 1.557) 1.557 7.535 ( 0.000 0.000 3.632) 3.632 7.596 ( 0.000 0.000 2.470) 2.470 7.603 ( 0.000 0.000 1.480) 1.480 7.635 ( 0.000 0.000 -7.211) 7.211 7.645 ( 0.000 0.000 -9.838) 9.838 7.768 ( 0.000 0.000 2.724) 2.724 7.877 ( 0.000 0.000 4.558) 4.558 7.879 ( 0.000 0.000 -8.252) 8.252 8.059 ( 0.000 0.000 10.540) 10.540 8.202 ( 0.000 0.000 0.151) 0.151 8.253 ( 0.000 0.000 -2.763) 2.763 8.286 ( 0.000 0.000 -2.144) 2.144 8.301 ( 0.000 0.000 -3.086) 3.086 8.334 ( 0.000 0.000 6.597) 6.597 8.337 ( 0.000 0.000 -10.137) 10.137 8.637 ( 0.000 0.000 3.942) 3.942 8.672 ( 0.000 0.000 3.278) 3.278 8.802 ( 0.000 0.000 2.781) 2.781 8.998 ( 0.000 0.000 1.748) 1.748 9.033 ( 0.000 0.000 -6.231) 6.231 9.098 ( 0.000 0.000 -0.607) 0.607 9.145 ( 0.000 0.000 -13.789) 13.789 9.222 ( 0.000 0.000 -13.608) 13.608 9.766 ( 0.000 0.000 11.444) 11.444 9.778 ( 0.000 0.000 2.785) 2.785 9.882 ( 0.000 0.000 6.852) 6.852 9.911 ( 0.000 0.000 -0.499) 0.499 9.929 ( 0.000 0.000 -2.228) 2.228 9.984 ( 0.000 0.000 1.670) 1.670 10.003 ( 0.000 0.000 -2.290) 2.290 10.148 ( 0.000 0.000 0.375) 0.375 10.304 ( 0.000 0.000 2.347) 2.347 10.555 ( 0.000 0.000 6.023) 6.023 10.843 ( 0.000 0.000 -3.395) 3.395 10.858 ( 0.000 0.000 -4.613) 4.613 10.888 ( 0.000 0.000 -19.210) 19.210 10.921 ( 0.000 0.000 -11.838) 11.838 11.042 ( 0.000 0.000 -11.969) 11.969 11.119 ( 0.000 0.000 -15.347) 15.347 12.200 ( 0.000 0.000 16.785) 16.785 12.276 ( 0.000 0.000 12.507) 12.507 12.531 ( 0.000 0.000 -0.239) 0.239 12.634 ( 0.000 0.000 1.525) 1.525 12.912 ( 0.000 0.000 -1.499) 1.499 13.025 ( 0.000 0.000 -5.235) 5.235 13.048 ( 0.000 0.000 -15.489) 15.489 13.094 ( 0.000 0.000 -3.660) 3.660 13.154 ( 0.000 0.000 7.420) 7.420 13.253 ( 0.000 0.000 6.626) 6.626 13.320 ( 0.000 0.000 -0.037) 0.037 13.374 ( 0.000 0.000 -0.058) 0.058 13.405 ( 0.000 0.000 10.291) 10.291 13.693 ( 0.000 0.000 5.729) 5.729 13.790 ( 0.000 0.000 -1.126) 1.126 13.873 ( 0.000 0.000 -13.260) 13.260 14.245 ( 0.000 0.000 12.871) 12.871 14.358 ( 0.000 0.000 3.719) 3.719 14.399 ( 0.000 0.000 -0.654) 0.654 14.403 ( 0.000 0.000 -0.430) 0.430 14.496 ( 0.000 0.000 1.886) 1.886 14.530 ( 0.000 0.000 -0.100) 0.100 14.582 ( 0.000 0.000 10.217) 10.217 14.658 ( 0.000 0.000 -2.217) 2.217 14.659 ( 0.000 0.000 2.574) 2.574 14.662 ( 0.000 0.000 3.899) 3.899 14.800 ( 0.000 0.000 -1.047) 1.047 15.056 ( 0.000 0.000 -10.221) 10.221 15.191 ( 0.000 0.000 -12.718) 12.718 15.258 ( 0.000 0.000 -2.507) 2.507 15.511 ( 0.000 0.000 -3.001) 3.001 15.721 ( 0.000 0.000 -14.702) 14.702 16.013 ( 0.000 0.000 2.556) 2.556 16.102 ( 0.000 0.000 -0.014) 0.014 16.153 ( 0.000 0.000 -5.564) 5.564 16.211 ( 0.000 0.000 11.404) 11.404 16.298 ( 0.000 0.000 11.731) 11.731 17.121 ( 0.000 0.000 0.936) 0.936 17.136 ( 0.000 0.000 -13.168) 13.168 17.150 ( 0.000 0.000 0.005) 0.005 17.464 ( 0.000 0.000 12.882) 12.882 17.970 ( 0.000 0.000 5.260) 5.260 18.047 ( 0.000 0.000 -12.359) 12.359 18.183 ( 0.000 0.000 -4.784) 4.784 18.607 ( 0.000 0.000 10.202) 10.202 19.049 ( 0.000 0.000 12.469) 12.469 19.068 ( 0.000 0.000 -9.114) 9.114 19.770 ( 0.000 0.000 -15.364) 15.364 20.069 ( 0.000 0.000 11.608) 11.608 20.214 ( 0.000 0.000 3.976) 3.976 20.500 ( 0.000 0.000 -9.790) 9.790 20.685 ( 0.000 0.000 -20.562) 20.562 21.133 ( 0.000 0.000 11.287) 11.287 21.582 ( 0.000 0.000 -1.214) 1.214 21.601 ( 0.000 0.000 -11.558) 11.558 21.767 ( 0.000 0.000 -7.213) 7.213 22.069 ( 0.000 0.000 7.777) 7.777 22.326 ( 0.000 0.000 2.650) 2.650 22.477 ( 0.000 0.000 -11.836) 11.836 22.539 ( 0.000 0.000 -8.708) 8.708 22.818 ( 0.000 0.000 5.218) 5.218 23.014 ( 0.000 0.000 7.535) 7.535 23.056 ( 0.000 0.000 -9.117) 9.117 23.346 ( 0.000 0.000 -9.936) 9.936 ======================= Grid point 61 (26/36) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 4.216 0.000 18.838) 19.304 2.273 ( -7.224 0.000 18.226) 19.606 2.384 ( 3.775 0.000 23.466) 23.768 2.489 ( -4.575 0.000 18.868) 19.414 2.534 ( 4.156 0.000 7.349) 8.443 2.617 ( 6.157 0.000 1.933) 6.453 2.632 ( -3.905 0.000 4.919) 6.280 2.747 ( -4.008 0.000 1.799) 4.394 2.754 ( 1.086 0.000 -6.943) 7.028 2.783 ( -1.056 0.000 -4.329) 4.455 2.929 ( 4.525 0.000 1.365) 4.726 2.978 ( 2.462 0.000 2.731) 3.677 3.025 ( -3.325 0.000 2.028) 3.895 3.051 ( -2.439 0.000 5.503) 6.019 3.195 ( 2.901 0.000 -8.144) 8.646 3.251 ( -0.588 0.000 -12.067) 12.082 3.298 ( 0.283 0.000 0.464) 0.544 3.353 ( 1.189 0.000 3.420) 3.621 3.370 ( -6.175 0.000 4.909) 7.888 3.402 ( -1.718 0.000 3.832) 4.199 3.623 ( 3.382 0.000 5.226) 6.225 3.678 ( -0.318 0.000 2.762) 2.780 3.700 ( 4.584 0.000 3.083) 5.524 3.732 ( 1.225 0.000 0.631) 1.378 3.891 ( -0.353 0.000 -1.002) 1.062 3.907 ( -0.789 0.000 -1.092) 1.347 3.909 ( -1.153 0.000 -0.518) 1.265 3.911 ( -1.052 0.000 -2.621) 2.824 4.047 ( -0.882 0.000 5.496) 5.566 4.067 ( -2.704 0.000 2.168) 3.466 4.071 ( 5.125 0.000 5.075) 7.212 4.171 ( -1.418 0.000 0.571) 1.529 4.387 ( 3.199 0.000 -1.644) 3.597 4.415 ( 1.163 0.000 0.477) 1.257 4.422 ( 2.932 0.000 -7.693) 8.233 4.560 ( -6.452 0.000 -5.350) 8.381 4.570 ( 2.113 0.000 -4.692) 5.146 4.592 ( 3.473 0.000 -8.424) 9.112 4.628 ( -2.654 0.000 -10.491) 10.822 4.738 ( -6.225 0.000 -13.559) 14.920 4.828 ( 2.034 0.000 -4.251) 4.713 4.940 ( -6.987 0.000 1.570) 7.161 5.017 ( 7.366 0.000 -7.926) 10.820 5.149 ( -3.967 0.000 -5.787) 7.016 5.267 ( 7.734 0.000 5.182) 9.310 5.417 ( 2.985 0.000 1.780) 3.476 5.447 ( -7.015 0.000 4.962) 8.592 5.514 ( -4.757 0.000 2.033) 5.173 5.635 ( 0.712 0.000 5.739) 5.783 5.655 ( -0.460 0.000 5.261) 5.281 5.664 ( 3.454 0.000 5.510) 6.503 5.750 ( -3.624 0.000 5.040) 6.208 5.915 ( 6.011 0.000 5.287) 8.005 6.016 ( -1.526 0.000 8.822) 8.953 6.076 ( 4.903 0.000 -1.577) 5.151 6.077 ( -0.244 0.000 11.413) 11.416 6.142 ( -2.591 0.000 2.826) 3.834 6.152 ( -4.010 0.000 8.390) 9.299 6.241 ( 1.576 0.000 1.345) 2.072 6.296 ( 6.617 0.000 11.139) 12.956 6.300 ( -1.294 0.000 -0.678) 1.461 6.470 ( -7.742 0.000 6.579) 10.160 6.538 ( 2.873 0.000 0.482) 2.913 6.606 ( -3.420 0.000 -0.624) 3.476 6.717 ( -1.890 0.000 6.859) 7.114 6.745 ( 1.924 0.000 -3.274) 3.797 6.761 ( -4.602 0.000 7.835) 9.087 6.769 ( 0.302 0.000 -3.565) 3.578 6.874 ( 7.425 0.000 0.738) 7.462 6.900 ( 4.590 0.000 -4.026) 6.106 6.985 ( -1.111 0.000 -2.376) 2.622 7.048 ( -6.473 0.000 -3.912) 7.564 7.072 ( 6.130 0.000 2.327) 6.557 7.186 ( -3.610 0.000 8.478) 9.215 7.258 ( 3.298 0.000 5.591) 6.491 7.377 ( 3.481 0.000 1.163) 3.670 7.392 ( -6.176 0.000 3.313) 7.008 7.493 ( 2.682 0.000 -3.507) 4.415 7.521 ( -6.917 0.000 -1.571) 7.094 7.565 ( -2.891 0.000 -1.159) 3.115 7.693 ( 5.274 0.000 -7.410) 9.095 7.709 ( 4.649 0.000 -4.396) 6.398 7.782 ( -0.755 0.000 -0.392) 0.851 7.821 ( -4.884 0.000 -8.534) 9.833 7.939 ( 4.681 0.000 8.030) 9.295 8.031 ( -2.663 0.000 9.303) 9.677 8.180 ( -0.463 0.000 0.548) 0.717 8.206 ( -2.512 0.000 -0.885) 2.664 8.299 ( 0.414 0.000 -1.022) 1.103 8.303 ( 0.322 0.000 -1.197) 1.240 8.365 ( 1.621 0.000 1.233) 2.037 8.378 ( 1.150 0.000 -2.954) 3.170 8.669 ( 2.751 0.000 3.588) 4.522 8.729 ( 5.565 0.000 0.606) 5.598 8.749 ( -3.738 0.000 3.176) 4.905 8.901 ( -8.339 0.000 -4.032) 9.262 9.034 ( 2.382 0.000 0.849) 2.529 9.081 ( -1.486 0.000 -0.214) 1.501 9.195 ( 1.980 0.000 -14.327) 14.463 9.220 ( -0.369 0.000 -14.098) 14.102 9.779 ( 1.347 0.000 10.496) 10.582 9.828 ( -2.757 0.000 8.034) 8.494 9.869 ( 7.137 0.000 1.508) 7.295 9.951 ( 1.672 0.000 -0.323) 1.703 9.952 ( 1.632 0.000 -2.532) 3.012 9.976 ( -0.654 0.000 0.048) 0.656 9.988 ( -1.315 0.000 -1.952) 2.354 10.058 ( -6.991 0.000 1.312) 7.113 10.372 ( 5.224 0.000 3.728) 6.417 10.496 ( -4.790 0.000 5.373) 7.198 10.848 ( 0.395 0.000 -3.805) 3.826 10.856 ( -0.219 0.000 -4.313) 4.318 10.909 ( 1.238 0.000 -17.412) 17.455 10.923 ( 0.002 0.000 -13.436) 13.436 11.051 ( 1.052 0.000 -12.717) 12.760 11.091 ( -2.043 0.000 -14.753) 14.894 12.217 ( 1.416 0.000 15.983) 16.046 12.255 ( -1.652 0.000 13.903) 14.001 12.556 ( 2.011 0.000 0.341) 2.040 12.607 ( -2.098 0.000 1.300) 2.469 12.950 ( 2.875 0.000 -4.585) 5.412 13.017 ( -2.536 0.000 -11.395) 11.674 13.035 ( 1.088 0.000 -4.273) 4.410 13.075 ( -2.075 0.000 -5.029) 5.440 13.167 ( 2.422 0.000 8.944) 9.266 13.231 ( -2.429 0.000 6.077) 6.544 13.332 ( 1.015 0.000 -0.622) 1.191 13.359 ( -1.165 0.000 -0.447) 1.248 13.491 ( 6.474 0.000 8.704) 10.847 13.634 ( -5.062 0.000 6.347) 8.119 13.812 ( 1.750 0.000 -4.197) 4.547 13.854 ( -1.591 0.000 -10.230) 10.353 14.279 ( 2.815 0.000 9.907) 10.299 14.356 ( -3.447 0.000 3.655) 5.024 14.363 ( 0.467 0.000 2.724) 2.764 14.381 ( -1.118 0.000 0.624) 1.280 14.515 ( 1.514 0.000 2.384) 2.824 14.543 ( 1.248 0.000 0.340) 1.294 14.560 ( -2.119 0.000 6.735) 7.061 14.592 ( -3.205 0.000 1.538) 3.555 14.637 ( -0.079 0.000 1.744) 1.746 14.652 ( -0.810 0.000 0.657) 1.043 14.891 ( 4.880 0.000 -4.778) 6.830 14.988 ( -3.905 0.000 -9.298) 10.085 15.343 ( 10.649 0.000 -9.805) 14.475 15.376 ( 7.350 0.000 -2.228) 7.680 15.491 ( -2.401 0.000 -2.733) 3.638 15.595 ( -9.965 0.000 -10.553) 14.514 16.059 ( 4.139 0.000 1.074) 4.276 16.118 ( 1.192 0.000 -3.828) 4.009 16.144 ( -0.860 0.000 -5.878) 5.940 16.164 ( -3.972 0.000 5.177) 6.525 16.404 ( 10.164 0.000 17.601) 20.325 16.774 ( -20.821 0.000 13.231) 24.669 17.156 ( 1.398 0.000 -10.423) 10.516 17.169 ( 0.663 0.000 -3.913) 3.969 17.650 ( 11.508 0.000 7.146) 13.546 17.901 ( -8.401 0.000 4.309) 9.441 18.045 ( 1.244 0.000 -10.307) 10.382 18.122 ( -4.458 0.000 -6.039) 7.506 18.719 ( 9.962 0.000 11.029) 14.862 18.952 ( -8.335 0.000 11.426) 14.143 19.214 ( 11.581 0.000 -8.436) 14.328 19.527 ( -14.731 0.000 -8.314) 16.915 20.264 ( 10.555 0.000 1.592) 10.674 20.365 ( 10.961 0.000 -3.185) 11.414 20.449 ( -5.127 0.000 -5.681) 7.653 20.596 ( -7.761 0.000 -15.121) 16.997 21.212 ( 7.188 0.000 8.134) 10.855 21.431 ( -10.518 0.000 2.962) 10.927 21.630 ( 3.320 0.000 -10.880) 11.375 21.730 ( -3.892 0.000 -9.286) 10.069 22.161 ( 6.032 0.000 4.400) 7.466 22.281 ( -3.939 0.000 2.733) 4.795 22.456 ( 0.176 0.000 -9.976) 9.977 22.502 ( -2.781 0.000 -8.814) 9.242 22.875 ( 4.288 0.000 6.169) 7.513 22.972 ( -3.528 0.000 7.244) 8.057 23.158 ( 6.896 0.000 -9.845) 12.020 23.295 ( -4.432 0.000 -10.044) 10.978 ======================= Grid point 63 (27/36) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.000 2.801 16.651) 16.885 2.312 ( 0.000 -2.510 21.372) 21.519 2.387 ( 0.000 0.336 14.535) 14.539 2.391 ( 0.000 -3.528 9.012) 9.678 2.470 ( 0.000 -3.789 15.136) 15.603 2.624 ( 0.000 4.980 -0.000) 4.980 2.634 ( 0.000 -5.556 -1.682) 5.805 2.744 ( 0.000 -0.392 3.710) 3.731 2.745 ( 0.000 -2.703 4.902) 5.598 2.799 ( 0.000 -4.507 -1.968) 4.918 2.840 ( 0.000 2.214 2.127) 3.070 2.861 ( 0.000 -5.025 -4.930) 7.039 2.952 ( 0.000 -10.504 -4.391) 11.385 3.002 ( 0.000 -6.115 3.924) 7.266 3.090 ( 0.000 -7.695 -10.997) 13.422 3.102 ( 0.000 -6.867 -0.376) 6.877 3.204 ( 0.000 7.382 11.899) 14.003 3.454 ( 0.000 -2.551 5.910) 6.437 3.533 ( 0.000 3.422 0.060) 3.422 3.553 ( 0.000 3.885 2.895) 4.845 3.574 ( 0.000 -1.664 5.934) 6.163 3.586 ( 0.000 2.480 8.945) 9.282 3.678 ( 0.000 1.751 0.075) 1.753 3.740 ( 0.000 1.267 -0.765) 1.480 3.910 ( 0.000 2.539 -0.184) 2.546 3.920 ( 0.000 1.992 0.332) 2.019 3.946 ( 0.000 2.323 -2.408) 3.346 3.995 ( 0.000 1.266 -2.228) 2.563 4.060 ( 0.000 2.804 4.401) 5.219 4.148 ( 0.000 4.405 1.673) 4.712 4.159 ( 0.000 0.326 4.941) 4.952 4.211 ( 0.000 5.346 -2.693) 5.986 4.339 ( 0.000 -0.566 0.712) 0.910 4.351 ( 0.000 1.967 -1.060) 2.235 4.494 ( 0.000 5.109 -7.737) 9.271 4.541 ( 0.000 2.234 -5.310) 5.760 4.606 ( 0.000 4.303 -2.085) 4.782 4.672 ( 0.000 0.271 -10.488) 10.492 4.752 ( 0.000 1.027 -10.110) 10.162 4.792 ( 0.000 -0.809 -16.152) 16.172 4.822 ( 0.000 1.846 -10.191) 10.357 4.943 ( 0.000 4.773 -4.117) 6.303 5.070 ( 0.000 -3.153 3.257) 4.533 5.082 ( 0.000 -1.126 4.841) 4.971 5.238 ( 0.000 2.802 0.149) 2.806 5.380 ( 0.000 0.244 1.328) 1.350 5.516 ( 0.000 -3.412 4.410) 5.576 5.555 ( 0.000 -3.564 4.363) 5.634 5.602 ( 0.000 -0.478 4.522) 4.547 5.619 ( 0.000 -1.735 5.891) 6.141 5.685 ( 0.000 4.111 4.177) 5.861 5.742 ( 0.000 -5.552 4.824) 7.355 5.787 ( 0.000 -1.761 5.974) 6.228 5.964 ( 0.000 -4.463 12.663) 13.427 5.979 ( 0.000 2.732 2.782) 3.899 6.127 ( 0.000 -0.804 12.195) 12.222 6.147 ( 0.000 -2.927 12.239) 12.584 6.184 ( 0.000 -2.760 1.429) 3.107 6.223 ( 0.000 1.603 5.923) 6.136 6.226 ( 0.000 0.278 -0.738) 0.788 6.354 ( 0.000 3.967 0.770) 4.041 6.484 ( 0.000 -1.499 -0.316) 1.532 6.542 ( 0.000 -2.733 -0.776) 2.841 6.614 ( 0.000 -5.478 5.432) 7.715 6.716 ( 0.000 0.244 -7.392) 7.396 6.728 ( 0.000 -0.656 0.277) 0.712 6.752 ( 0.000 1.119 4.011) 4.164 6.799 ( 0.000 1.608 -0.060) 1.609 6.862 ( 0.000 1.362 -6.077) 6.227 6.896 ( 0.000 3.718 -0.280) 3.729 6.974 ( 0.000 2.156 -4.658) 5.133 6.994 ( 0.000 -0.745 11.211) 11.235 7.092 ( 0.000 -1.874 -10.182) 10.353 7.164 ( 0.000 -4.329 4.165) 6.008 7.290 ( 0.000 2.321 6.858) 7.240 7.377 ( 0.000 -0.702 3.690) 3.756 7.434 ( 0.000 5.508 5.057) 7.478 7.525 ( 0.000 -0.407 -0.452) 0.608 7.577 ( 0.000 -1.547 -2.935) 3.318 7.620 ( 0.000 0.964 1.461) 1.751 7.662 ( 0.000 2.760 -3.583) 4.523 7.704 ( 0.000 3.390 -4.664) 5.766 7.746 ( 0.000 -1.734 2.083) 2.711 7.861 ( 0.000 -2.031 -6.563) 6.870 7.877 ( 0.000 0.272 4.655) 4.663 7.995 ( 0.000 -4.704 9.299) 10.421 8.218 ( 0.000 1.135 1.325) 1.745 8.253 ( 0.000 -0.082 -1.787) 1.789 8.298 ( 0.000 0.904 -2.077) 2.265 8.307 ( 0.000 0.428 -2.776) 2.809 8.361 ( 0.000 1.860 4.583) 4.946 8.365 ( 0.000 1.863 -7.121) 7.361 8.656 ( 0.000 1.630 3.925) 4.250 8.696 ( 0.000 2.895 0.698) 2.978 8.770 ( 0.000 -2.648 2.814) 3.864 8.966 ( 0.000 -5.764 -6.027) 8.339 9.008 ( 0.000 0.935 1.793) 2.022 9.076 ( 0.000 -1.716 0.219) 1.730 9.161 ( 0.000 1.344 -14.120) 14.184 9.217 ( 0.000 -0.570 -14.114) 14.126 9.763 ( 0.000 0.299 9.229) 9.234 9.815 ( 0.000 2.914 1.744) 3.396 9.839 ( 0.000 -2.679 6.102) 6.664 9.941 ( 0.000 2.363 1.212) 2.656 9.953 ( 0.000 -0.603 -3.907) 3.953 9.967 ( 0.000 0.032 3.921) 3.922 10.014 ( 0.000 0.850 -1.213) 1.481 10.116 ( 0.000 -2.714 1.571) 3.136 10.345 ( 0.000 3.501 2.930) 4.565 10.521 ( 0.000 -2.983 5.415) 6.182 10.836 ( 0.000 -0.442 -3.711) 3.738 10.844 ( 0.000 -0.796 -5.411) 5.469 10.912 ( 0.000 1.609 -17.533) 17.606 10.933 ( 0.000 0.816 -12.625) 12.652 11.044 ( 0.000 0.272 -12.089) 12.092 11.098 ( 0.000 -1.664 -15.011) 15.103 12.207 ( 0.000 0.649 16.395) 16.408 12.260 ( 0.000 -1.332 13.379) 13.445 12.556 ( 0.000 1.988 0.013) 1.988 12.628 ( 0.000 -0.704 1.273) 1.455 12.913 ( 0.000 0.380 -2.760) 2.786 12.982 ( 0.000 -2.401 -8.752) 9.076 13.088 ( 0.000 2.210 -10.026) 10.267 13.118 ( 0.000 1.918 -5.314) 5.650 13.162 ( 0.000 0.388 6.710) 6.721 13.235 ( 0.000 -1.639 6.383) 6.590 13.322 ( 0.000 0.321 0.074) 0.330 13.361 ( 0.000 -0.946 0.911) 1.313 13.440 ( 0.000 2.844 8.385) 8.855 13.622 ( 0.000 -4.710 6.395) 7.942 13.829 ( 0.000 2.014 -4.011) 4.488 13.870 ( 0.000 -0.268 -12.221) 12.224 14.289 ( 0.000 4.059 11.903) 12.576 14.375 ( 0.000 1.802 3.578) 4.006 14.429 ( 0.000 3.784 1.627) 4.119 14.471 ( 0.000 -1.934 2.827) 3.426 14.474 ( 0.000 3.969 -0.896) 4.069 14.523 ( 0.000 -2.004 5.321) 5.686 14.551 ( 0.000 -1.959 5.099) 5.462 14.628 ( 0.000 -2.590 2.411) 3.539 14.643 ( 0.000 -0.938 -0.683) 1.160 14.648 ( 0.000 -1.013 2.860) 3.034 14.859 ( 0.000 4.536 -3.900) 5.982 15.026 ( 0.000 -2.556 -10.053) 10.373 15.186 ( 0.000 2.683 -5.352) 5.987 15.383 ( 0.000 8.156 -10.473) 13.274 15.502 ( 0.000 -2.285 -4.963) 5.463 15.634 ( 0.000 -6.217 -11.449) 13.028 16.025 ( 0.000 0.690 1.749) 1.880 16.048 ( 0.000 -2.515 4.890) 5.499 16.134 ( 0.000 -1.276 -4.343) 4.527 16.209 ( 0.000 -3.325 -3.721) 4.990 16.353 ( 0.000 7.092 23.385) 24.437 16.900 ( 0.000 -13.400 9.507) 16.430 17.169 ( 0.000 2.718 -11.804) 12.112 17.257 ( 0.000 2.288 -7.645) 7.980 17.493 ( 0.000 2.574 12.061) 12.333 17.857 ( 0.000 -18.054 7.843) 19.684 18.002 ( 0.000 1.449 1.473) 2.066 18.048 ( 0.000 0.028 -11.540) 11.540 18.689 ( 0.000 4.749 10.213) 11.263 18.978 ( 0.000 -6.082 13.273) 14.600 19.255 ( 0.000 12.557 -12.918) 18.015 19.695 ( 0.000 -6.475 -14.286) 15.685 20.107 ( 0.000 2.877 9.069) 9.514 20.205 ( 0.000 -0.973 3.814) 3.936 20.534 ( 0.000 2.848 -10.954) 11.318 20.666 ( 0.000 -1.794 -18.451) 18.539 21.230 ( 0.000 7.860 7.078) 10.577 21.540 ( 0.000 -3.835 -1.065) 3.980 21.632 ( 0.000 2.663 -10.891) 11.212 21.749 ( 0.000 -1.591 -7.788) 7.949 22.095 ( 0.000 2.496 7.078) 7.506 22.279 ( 0.000 -3.982 3.120) 5.059 22.475 ( 0.000 -0.027 -11.274) 11.274 22.514 ( 0.000 -1.739 -8.910) 9.078 22.857 ( 0.000 3.086 5.273) 6.109 22.991 ( 0.000 -2.040 7.058) 7.347 23.099 ( 0.000 3.690 -8.788) 9.532 23.302 ( 0.000 -3.779 -9.454) 10.182 ======================= Grid point 64 (28/36) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 3.802 2.392 18.477) 19.015 2.279 ( -5.618 0.161 18.682) 19.509 2.354 ( 2.050 -1.483 18.684) 18.854 2.424 ( -2.696 -3.966 15.236) 15.973 2.481 ( 5.468 -2.734 9.337) 11.160 2.619 ( -4.734 -0.761 6.484) 8.064 2.661 ( 2.074 -0.855 -0.284) 2.261 2.681 ( 0.616 -2.817 -2.529) 3.836 2.753 ( -0.449 -1.747 -1.840) 2.576 2.798 ( -2.915 1.694 -0.248) 3.380 2.857 ( 2.827 -5.784 3.287) 7.229 2.887 ( 1.406 -6.071 0.577) 6.258 2.962 ( 0.815 -7.207 -2.966) 7.836 3.001 ( -0.570 -2.780 -1.384) 3.157 3.057 ( -1.372 -8.874 -4.560) 10.071 3.078 ( -2.066 -7.100 -5.848) 9.428 3.240 ( 3.515 4.954 10.813) 12.402 3.350 ( -5.792 0.770 8.169) 10.044 3.526 ( -0.160 3.243 0.370) 3.268 3.534 ( -0.906 1.580 2.951) 3.468 3.625 ( 3.439 -0.637 5.999) 6.944 3.660 ( 1.782 -0.439 6.395) 6.653 3.715 ( 2.311 3.105 -0.794) 3.951 3.745 ( 0.102 2.017 -0.944) 2.230 3.912 ( -0.120 1.873 -0.923) 2.092 3.918 ( -0.533 2.885 -1.214) 3.175 3.962 ( 1.017 2.472 -3.467) 4.378 3.984 ( -0.871 1.581 -1.979) 2.679 4.095 ( 1.040 2.532 4.020) 4.863 4.120 ( -0.544 3.095 3.490) 4.696 4.133 ( -0.598 4.969 0.665) 5.049 4.192 ( 0.087 2.445 0.415) 2.481 4.405 ( 4.724 1.484 -1.946) 5.321 4.436 ( 3.036 2.205 2.337) 4.420 4.460 ( -0.302 2.516 -6.642) 7.109 4.565 ( -8.346 -0.367 -8.902) 12.208 4.594 ( 0.744 2.767 -5.880) 6.541 4.614 ( 1.304 1.297 -8.581) 8.776 4.641 ( -0.296 1.554 -8.446) 8.593 4.742 ( -5.466 0.338 -10.561) 11.896 4.854 ( 2.735 2.610 -1.746) 4.165 4.965 ( -5.702 1.691 2.821) 6.583 5.067 ( 5.353 3.680 -6.371) 9.098 5.144 ( 0.939 -1.285 -2.602) 3.050 5.258 ( 4.217 0.480 0.656) 4.295 5.387 ( -0.005 -2.382 3.027) 3.852 5.425 ( -4.647 -1.714 2.407) 5.507 5.490 ( -4.552 -2.164 3.359) 6.057 5.635 ( 2.490 -1.886 5.380) 6.221 5.657 ( 1.941 0.573 4.569) 4.998 5.693 ( -0.261 3.310 4.056) 5.242 5.703 ( -2.285 -2.638 3.772) 5.138 5.865 ( 5.145 -4.048 5.915) 8.823 5.958 ( -1.865 -4.828 7.640) 9.227 6.025 ( 1.454 -1.260 5.660) 5.978 6.082 ( -1.838 -1.966 7.717) 8.172 6.152 ( 0.309 1.560 4.417) 4.695 6.189 ( -2.003 1.314 6.238) 6.682 6.211 ( 1.255 -2.143 3.593) 4.367 6.226 ( 2.491 -2.033 5.592) 6.450 6.344 ( -0.980 0.782 -0.040) 1.254 6.397 ( -5.719 -4.203 4.491) 8.398 6.570 ( 5.304 2.006 3.873) 6.867 6.648 ( -2.594 2.424 -2.278) 4.218 6.713 ( -1.452 -0.697 4.582) 4.857 6.747 ( 0.078 0.805 1.363) 1.585 6.756 ( -2.082 -0.543 0.586) 2.230 6.770 ( 0.243 -0.089 -2.662) 2.675 6.878 ( 5.759 -0.195 -1.734) 6.018 6.931 ( 3.667 2.634 0.808) 4.587 6.982 ( -0.358 -0.301 -0.488) 0.676 7.054 ( 0.005 0.063 -5.319) 5.319 7.069 ( -0.655 0.355 2.913) 3.007 7.151 ( -1.837 -1.891 6.522) 7.035 7.274 ( 2.427 -1.059 5.673) 6.260 7.329 ( -3.620 0.090 3.173) 4.814 7.444 ( -0.540 1.647 0.354) 1.769 7.490 ( -3.451 -0.049 -3.931) 5.231 7.557 ( -0.695 1.909 -3.615) 4.147 7.576 ( -1.167 1.283 -1.321) 2.180 7.705 ( 2.644 -0.410 -1.704) 3.172 7.731 ( 1.242 2.330 -2.636) 3.731 7.768 ( 2.470 0.760 -1.871) 3.191 7.850 ( -2.719 0.892 -6.198) 6.827 7.926 ( 3.811 -0.906 7.123) 8.129 7.984 ( -0.982 -3.353 8.191) 8.905 8.196 ( -0.888 0.980 1.651) 2.115 8.214 ( -2.405 0.613 -1.227) 2.769 8.299 ( 0.072 -0.143 0.023) 0.162 8.300 ( -0.234 0.042 -1.151) 1.176 8.383 ( 1.023 0.432 -0.604) 1.265 8.387 ( 0.827 1.351 -1.080) 1.917 8.677 ( 1.924 0.575 3.251) 3.821 8.716 ( 0.022 -0.412 1.106) 1.180 8.771 ( 2.072 1.597 0.797) 2.735 8.884 ( -5.894 -1.759 -4.241) 7.472 9.033 ( 1.717 0.017 0.833) 1.908 9.066 ( -0.950 -1.150 0.226) 1.509 9.180 ( 1.159 -0.982 -14.112) 14.193 9.205 ( -0.964 -1.258 -14.143) 14.231 9.788 ( 1.865 0.804 9.656) 9.867 9.825 ( -0.786 -0.034 8.232) 8.269 9.878 ( 3.989 -0.074 0.492) 4.020 9.938 ( -0.101 -0.136 -0.206) 0.266 9.960 ( -0.169 0.252 -2.813) 2.829 9.972 ( 0.415 -0.349 0.159) 0.565 9.998 ( -0.512 0.668 -0.530) 0.995 10.055 ( -4.325 -0.195 1.803) 4.690 10.391 ( 3.550 1.607 3.832) 5.466 10.478 ( -3.457 -1.578 4.971) 6.257 10.834 ( 0.454 -0.912 -6.296) 6.378 10.849 ( -0.461 -0.393 -4.886) 4.923 10.922 ( 0.978 0.561 -15.176) 15.217 10.937 ( -0.102 1.169 -12.688) 12.742 11.057 ( 1.077 0.465 -12.828) 12.882 11.085 ( -1.118 -0.561 -14.355) 14.410 12.216 ( 0.895 0.010 15.802) 15.827 12.244 ( -1.266 -0.862 14.508) 14.588 12.575 ( 1.525 1.410 0.111) 2.080 12.611 ( -1.367 0.218 0.683) 1.543 12.948 ( 2.534 -0.043 -4.741) 5.376 12.984 ( -0.147 -1.705 -8.169) 8.346 13.059 ( -1.255 1.017 -6.649) 6.842 13.086 ( -2.946 0.785 -5.130) 5.967 13.171 ( 1.900 0.453 8.506) 8.727 13.218 ( -1.789 -1.086 6.191) 6.535 13.335 ( 1.174 0.286 -1.085) 1.623 13.359 ( -0.643 -0.094 -0.971) 1.168 13.498 ( 4.430 0.736 7.751) 8.958 13.592 ( -2.978 -2.911 6.168) 7.442 13.833 ( 0.639 1.259 -5.884) 6.051 13.856 ( -1.082 0.149 -9.789) 9.849 14.323 ( 2.552 3.770 9.109) 10.183 14.371 ( -0.948 2.249 3.618) 4.365 14.414 ( -0.195 3.512 4.099) 5.402 14.439 ( -1.779 3.523 2.582) 4.716 14.499 ( 1.233 -0.911 2.335) 2.794 14.527 ( -0.287 -2.138 6.331) 6.688 14.548 ( -0.345 -0.990 2.367) 2.589 14.571 ( -2.043 -1.561 2.224) 3.400 14.641 ( 0.879 0.383 1.035) 1.411 14.669 ( -0.716 1.221 -1.217) 1.866 14.909 ( 3.631 1.715 -5.405) 6.733 14.987 ( -2.927 -0.190 -8.929) 9.398 15.271 ( 6.263 -2.741 -4.761) 8.331 15.394 ( -2.241 -3.295 -4.973) 6.373 15.506 ( 1.974 2.852 -9.261) 9.890 15.582 ( -3.595 -0.825 -11.577) 12.150 16.023 ( 1.725 -2.139 2.745) 3.884 16.066 ( -0.878 -2.712 1.245) 3.111 16.158 ( 2.120 0.856 -3.522) 4.200 16.216 ( -1.780 2.119 -4.814) 5.553 16.400 ( 7.812 0.491 24.218) 25.451 16.702 ( -15.851 -6.294 17.163) 24.196 17.135 ( -0.788 -1.746 -4.424) 4.821 17.153 ( -1.749 -0.373 -8.347) 8.536 17.712 ( 10.686 3.957 3.918) 12.050 17.876 ( -2.405 -2.686 3.414) 4.965 18.026 ( 2.404 -1.750 -5.625) 6.362 18.077 ( 1.040 -1.344 -7.216) 7.414 18.695 ( 2.607 -1.307 14.513) 14.803 18.848 ( -8.907 -6.319 14.149) 17.874 19.325 ( 6.916 6.443 -10.526) 14.147 19.546 ( -10.877 0.964 -12.688) 16.739 20.219 ( 10.200 -2.714 3.748) 11.201 20.353 ( 5.081 -0.969 -1.945) 5.526 20.494 ( -2.089 3.081 -8.519) 9.297 20.590 ( -6.123 -0.703 -13.964) 15.263 21.275 ( 4.807 4.730 5.629) 8.784 21.433 ( -7.645 -0.145 1.828) 7.862 21.648 ( 2.221 1.487 -10.457) 10.793 21.724 ( -3.020 -0.579 -9.478) 9.964 22.172 ( 5.216 0.991 4.386) 6.887 22.261 ( -2.003 -1.529 2.781) 3.753 22.468 ( 0.176 0.775 -9.792) 9.824 22.496 ( -1.589 -0.396 -8.999) 9.147 22.888 ( 2.627 1.165 6.170) 6.806 22.957 ( -2.763 -1.318 6.942) 7.587 23.165 ( 4.722 0.852 -9.381) 10.537 23.264 ( -3.295 -2.575 -9.592) 10.464 ======================= Grid point 66 (29/36) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.000 -5.367 15.962) 16.840 2.211 ( 0.000 5.367 15.962) 16.840 2.389 ( 0.000 -0.774 12.050) 12.075 2.389 ( 0.000 0.774 12.050) 12.075 2.471 ( 0.000 -5.254 10.262) 11.529 2.471 ( 0.000 5.254 10.262) 11.529 2.714 ( 0.000 -2.753 -4.980) 5.690 2.714 ( 0.000 2.753 -4.980) 5.690 2.749 ( 0.000 -3.570 1.572) 3.901 2.749 ( 0.000 3.570 1.572) 3.901 2.773 ( 0.000 -3.654 5.079) 6.256 2.773 ( 0.000 3.654 5.079) 6.256 2.911 ( 0.000 -0.448 -3.946) 3.972 2.911 ( 0.000 0.448 -3.946) 3.972 3.007 ( 0.000 -1.952 -3.030) 3.604 3.007 ( 0.000 1.952 -3.030) 3.604 3.369 ( 0.000 -6.371 9.616) 11.536 3.369 ( 0.000 6.371 9.616) 11.535 3.529 ( 0.000 -0.802 7.092) 7.137 3.529 ( 0.000 0.802 7.092) 7.137 3.619 ( 0.000 -0.030 3.008) 3.008 3.619 ( 0.000 0.030 3.008) 3.008 3.731 ( 0.000 -1.821 -0.513) 1.892 3.731 ( 0.000 1.821 -0.513) 1.892 3.948 ( 0.000 -0.003 -0.618) 0.618 3.948 ( 0.000 0.003 -0.618) 0.618 3.994 ( 0.000 -1.391 -2.534) 2.891 3.994 ( 0.000 1.391 -2.534) 2.891 4.123 ( 0.000 -2.518 5.476) 6.028 4.123 ( 0.000 2.518 5.476) 6.028 4.228 ( 0.000 -1.574 -4.628) 4.888 4.228 ( 0.000 1.574 -4.628) 4.888 4.379 ( 0.000 -0.464 3.329) 3.361 4.379 ( 0.000 0.464 3.329) 3.361 4.571 ( 0.000 -0.428 -7.758) 7.770 4.571 ( 0.000 0.428 -7.758) 7.770 4.667 ( 0.000 -0.936 -7.592) 7.649 4.667 ( 0.000 0.936 -7.591) 7.649 4.778 ( 0.000 -0.232 -13.515) 13.517 4.778 ( 0.000 0.232 -13.515) 13.517 4.921 ( 0.000 -6.840 -0.391) 6.851 4.921 ( 0.000 6.840 -0.391) 6.851 5.050 ( 0.000 -4.445 -0.165) 4.448 5.050 ( 0.000 4.445 -0.165) 4.448 5.364 ( 0.000 -8.708 3.502) 9.386 5.364 ( 0.000 8.708 3.502) 9.386 5.438 ( 0.000 -4.825 4.070) 6.312 5.438 ( 0.000 4.825 4.070) 6.312 5.605 ( 0.000 -0.269 4.140) 4.148 5.605 ( 0.000 0.269 4.140) 4.148 5.699 ( 0.000 -1.249 3.504) 3.720 5.699 ( 0.000 1.249 3.504) 3.720 5.843 ( 0.000 -5.968 8.622) 10.486 5.843 ( 0.000 5.968 8.622) 10.486 6.065 ( 0.000 -4.612 4.769) 6.634 6.065 ( 0.000 4.612 4.769) 6.634 6.126 ( 0.000 -0.562 9.174) 9.192 6.126 ( 0.000 0.562 9.174) 9.192 6.238 ( 0.000 -0.115 1.282) 1.287 6.238 ( 0.000 0.115 1.282) 1.287 6.434 ( 0.000 -2.596 -0.090) 2.597 6.434 ( 0.000 2.596 -0.090) 2.597 6.526 ( 0.000 -0.781 5.779) 5.831 6.526 ( 0.000 0.781 5.779) 5.831 6.716 ( 0.000 -0.202 -2.367) 2.375 6.716 ( 0.000 0.202 -2.367) 2.375 6.800 ( 0.000 -1.351 -4.264) 4.473 6.800 ( 0.000 1.351 -4.264) 4.473 6.901 ( 0.000 -1.410 -0.553) 1.515 6.901 ( 0.000 1.410 -0.553) 1.515 7.012 ( 0.000 -0.003 5.351) 5.351 7.012 ( 0.000 0.003 5.351) 5.351 7.074 ( 0.000 -1.957 -3.179) 3.733 7.074 ( 0.000 1.957 -3.179) 3.733 7.345 ( 0.000 -1.286 6.715) 6.837 7.345 ( 0.000 1.286 6.715) 6.837 7.523 ( 0.000 -0.069 -5.154) 5.154 7.523 ( 0.000 0.069 -5.154) 5.154 7.588 ( 0.000 -3.559 0.538) 3.599 7.588 ( 0.000 3.559 0.538) 3.599 7.716 ( 0.000 -1.065 1.183) 1.592 7.716 ( 0.000 1.065 1.183) 1.592 7.782 ( 0.000 -4.391 -2.378) 4.993 7.782 ( 0.000 4.391 -2.378) 4.993 7.907 ( 0.000 -2.710 5.078) 5.756 7.907 ( 0.000 2.710 5.078) 5.756 8.243 ( 0.000 -0.857 0.691) 1.101 8.243 ( 0.000 0.857 0.691) 1.101 8.312 ( 0.000 -0.114 -2.341) 2.344 8.312 ( 0.000 0.114 -2.341) 2.344 8.388 ( 0.000 -0.043 -0.453) 0.455 8.388 ( 0.000 0.043 -0.453) 0.455 8.705 ( 0.000 -2.761 3.562) 4.506 8.705 ( 0.000 2.761 3.562) 4.506 8.813 ( 0.000 -7.211 -4.278) 8.384 8.813 ( 0.000 7.211 -4.278) 8.384 9.037 ( 0.000 -1.644 1.372) 2.141 9.037 ( 0.000 1.644 1.372) 2.141 9.194 ( 0.000 -1.453 -14.495) 14.568 9.194 ( 0.000 1.453 -14.495) 14.568 9.786 ( 0.000 -1.859 7.511) 7.738 9.786 ( 0.000 1.859 7.511) 7.738 9.891 ( 0.000 -3.470 -0.908) 3.587 9.891 ( 0.000 3.470 -0.908) 3.587 9.980 ( 0.000 -0.366 0.839) 0.915 9.980 ( 0.000 0.366 0.839) 0.915 10.049 ( 0.000 -2.636 2.164) 3.410 10.049 ( 0.000 2.636 2.164) 3.410 10.437 ( 0.000 -4.437 4.169) 6.088 10.437 ( 0.000 4.437 4.169) 6.088 10.832 ( 0.000 -0.061 -4.358) 4.358 10.832 ( 0.000 0.061 -4.358) 4.358 10.940 ( 0.000 -0.322 -15.421) 15.425 10.940 ( 0.000 0.322 -15.421) 15.425 11.061 ( 0.000 -1.398 -13.429) 13.501 11.061 ( 0.000 1.398 -13.429) 13.501 12.229 ( 0.000 -1.289 15.143) 15.197 12.229 ( 0.000 1.289 15.143) 15.197 12.600 ( 0.000 -1.763 0.634) 1.873 12.600 ( 0.000 1.763 0.634) 1.873 12.936 ( 0.000 -1.695 -6.114) 6.344 12.936 ( 0.000 1.695 -6.114) 6.344 13.131 ( 0.000 -1.235 -9.450) 9.530 13.131 ( 0.000 1.235 -9.450) 9.530 13.187 ( 0.000 -2.357 7.679) 8.033 13.187 ( 0.000 2.357 7.679) 8.033 13.338 ( 0.000 -0.930 0.525) 1.068 13.338 ( 0.000 0.930 0.525) 1.068 13.520 ( 0.000 -4.321 7.324) 8.504 13.520 ( 0.000 4.321 7.324) 8.504 13.859 ( 0.000 -0.807 -8.966) 9.003 13.859 ( 0.000 0.807 -8.966) 9.003 14.405 ( 0.000 -5.212 9.338) 10.694 14.405 ( 0.000 5.212 9.338) 10.694 14.432 ( 0.000 -3.677 5.375) 6.512 14.432 ( 0.000 3.677 5.375) 6.512 14.512 ( 0.000 -2.750 2.484) 3.706 14.512 ( 0.000 2.750 2.484) 3.706 14.558 ( 0.000 -3.640 -1.306) 3.867 14.558 ( 0.000 3.640 -1.306) 3.867 14.632 ( 0.000 -0.009 1.939) 1.939 14.632 ( 0.000 0.009 1.939) 1.939 14.955 ( 0.000 -3.809 -8.447) 9.266 14.955 ( 0.000 3.809 -8.447) 9.266 15.339 ( 0.000 -10.139 -4.399) 11.052 15.339 ( 0.000 10.139 -4.399) 11.052 15.536 ( 0.000 -4.730 -12.071) 12.965 15.536 ( 0.000 4.730 -12.071) 12.965 16.028 ( 0.000 -0.072 2.931) 2.932 16.028 ( 0.000 0.072 2.931) 2.932 16.134 ( 0.000 -2.036 -2.012) 2.862 16.134 ( 0.000 2.036 -2.012) 2.862 16.581 ( 0.000 -13.425 20.067) 24.143 16.581 ( 0.000 13.425 20.067) 24.143 17.238 ( 0.000 -2.931 -10.630) 11.027 17.238 ( 0.000 2.931 -10.630) 11.027 17.585 ( 0.000 -6.769 12.409) 14.135 17.585 ( 0.000 6.769 12.409) 14.135 18.039 ( 0.000 -1.069 -7.286) 7.364 18.039 ( 0.000 1.069 -7.286) 7.364 18.820 ( 0.000 -7.026 13.485) 15.206 18.820 ( 0.000 7.026 13.485) 15.206 19.509 ( 0.000 -9.452 -13.544) 16.516 19.509 ( 0.000 9.452 -13.544) 16.516 20.168 ( 0.000 -1.265 5.379) 5.526 20.168 ( 0.000 1.265 5.379) 5.526 20.607 ( 0.000 -3.409 -14.346) 14.745 20.607 ( 0.000 3.409 -14.346) 14.745 21.413 ( 0.000 -7.495 1.035) 7.566 21.413 ( 0.000 7.495 1.035) 7.566 21.698 ( 0.000 -2.768 -9.312) 9.715 21.698 ( 0.000 2.768 -9.312) 9.715 22.177 ( 0.000 -4.603 5.034) 6.821 22.177 ( 0.000 4.603 5.034) 6.821 22.483 ( 0.000 -0.802 -9.972) 10.004 22.483 ( 0.000 0.802 -9.972) 10.004 22.931 ( 0.000 -3.317 6.025) 6.878 22.931 ( 0.000 3.317 6.025) 6.878 23.200 ( 0.000 -5.117 -8.752) 10.138 23.200 ( 0.000 5.117 -8.752) 10.138 ======================= Grid point 68 (30/36) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 1.982 0.000 19.583) 19.683 2.254 ( 0.704 -0.000 16.679) 16.694 2.352 ( -1.724 -0.000 14.443) 14.546 2.371 ( -1.918 0.000 12.295) 12.444 2.472 ( 3.835 0.000 7.180) 8.140 2.553 ( 4.611 0.000 8.582) 9.742 2.606 ( -6.649 0.000 2.592) 7.136 2.667 ( -4.896 0.000 6.455) 8.101 2.759 ( 2.695 0.000 -2.878) 3.942 2.766 ( 2.244 -0.000 -1.244) 2.565 2.804 ( -0.276 0.000 -1.280) 1.309 2.808 ( -0.576 0.000 1.793) 1.884 2.901 ( 1.470 -0.000 -5.099) 5.306 2.946 ( 1.743 -0.000 -2.350) 2.926 2.961 ( -2.461 0.000 -3.020) 3.896 2.996 ( -1.696 0.000 -3.431) 3.827 3.348 ( -0.753 0.000 9.347) 9.377 3.352 ( -1.113 -0.000 8.424) 8.498 3.511 ( -0.789 -0.000 5.284) 5.343 3.512 ( -0.671 0.000 7.135) 7.167 3.640 ( 2.394 0.000 3.948) 4.617 3.669 ( 1.200 0.000 4.571) 4.726 3.765 ( 1.757 -0.000 -2.171) 2.793 3.766 ( 2.048 0.000 -1.631) 2.619 3.933 ( -0.278 0.000 -1.195) 1.227 3.962 ( -1.503 0.000 -1.475) 2.106 3.991 ( 0.353 -0.000 -1.010) 1.070 3.998 ( 0.445 0.000 -3.546) 3.574 4.129 ( -0.190 0.000 2.155) 2.164 4.149 ( 0.153 -0.000 5.106) 5.108 4.203 ( 2.979 0.000 -2.000) 3.589 4.221 ( -0.401 0.000 -2.057) 2.096 4.435 ( 5.846 -0.000 1.829) 6.125 4.476 ( 2.655 0.000 3.285) 4.224 4.497 ( -3.165 0.000 -8.527) 9.096 4.549 ( -7.201 0.000 -10.066) 12.376 4.625 ( -0.290 0.000 -11.368) 11.371 4.642 ( -2.087 -0.000 -8.702) 8.949 4.672 ( 0.706 0.000 -4.529) 4.584 4.750 ( -4.564 0.000 -6.274) 7.759 4.921 ( 0.901 0.000 2.541) 2.696 4.955 ( -0.160 -0.000 4.243) 4.246 5.126 ( 3.441 0.000 -4.251) 5.469 5.128 ( 3.313 -0.000 -4.297) 5.426 5.281 ( 0.346 0.000 -1.058) 1.113 5.343 ( -2.938 -0.000 0.871) 3.064 5.402 ( -0.784 -0.000 3.859) 3.937 5.441 ( -3.220 0.000 1.720) 3.651 5.610 ( 1.270 0.000 5.434) 5.580 5.638 ( -0.052 0.000 3.499) 3.499 5.710 ( 3.331 -0.000 3.848) 5.090 5.735 ( 1.247 0.000 2.879) 3.137 5.832 ( -0.350 0.000 7.214) 7.222 5.853 ( -1.131 -0.000 5.892) 6.000 6.029 ( -2.106 0.000 6.767) 7.087 6.038 ( -1.529 0.000 6.756) 6.927 6.159 ( 5.413 0.000 8.046) 9.698 6.184 ( 1.106 0.000 8.500) 8.571 6.198 ( -1.805 0.000 2.915) 3.428 6.224 ( -1.267 -0.000 3.187) 3.430 6.342 ( -3.846 0.000 2.879) 4.804 6.350 ( -2.915 0.000 -1.577) 3.315 6.595 ( 6.582 0.000 4.520) 7.984 6.690 ( -0.769 -0.000 -5.661) 5.713 6.693 ( -1.434 0.000 4.912) 5.117 6.745 ( -0.519 0.000 -0.383) 0.645 6.763 ( -1.639 -0.000 -1.123) 1.987 6.768 ( 0.178 0.000 0.108) 0.208 6.872 ( 5.022 0.000 -1.716) 5.307 6.972 ( -0.653 0.000 1.180) 1.349 6.974 ( 3.468 -0.000 -0.262) 3.478 7.051 ( 2.599 0.000 2.025) 3.295 7.081 ( -2.255 0.000 0.015) 2.255 7.126 ( -1.880 0.000 2.012) 2.753 7.251 ( 1.832 0.000 5.679) 5.967 7.338 ( -5.354 0.000 4.780) 7.177 7.473 ( -1.300 0.000 -5.019) 5.185 7.482 ( -4.353 0.000 -3.149) 5.373 7.583 ( 0.875 0.000 -4.717) 4.798 7.586 ( 0.143 -0.000 -0.673) 0.688 7.703 ( 2.308 0.000 1.561) 2.786 7.762 ( 0.077 0.000 5.345) 5.345 7.799 ( 2.013 0.000 -4.615) 5.035 7.848 ( -0.098 0.000 -7.443) 7.444 7.913 ( 2.664 0.000 8.404) 8.816 7.937 ( 1.159 -0.000 6.193) 6.300 8.209 ( -1.308 0.000 2.431) 2.761 8.222 ( -2.159 0.000 -1.633) 2.708 8.298 ( -0.382 0.000 0.693) 0.791 8.301 ( -0.729 0.000 -1.182) 1.389 8.388 ( 0.945 0.000 -1.130) 1.474 8.406 ( -0.028 0.000 -0.008) 0.029 8.684 ( 0.494 0.000 2.484) 2.533 8.714 ( -1.265 0.000 1.967) 2.338 8.817 ( 1.168 -0.000 -2.662) 2.907 8.831 ( 0.229 0.000 -3.627) 3.634 9.041 ( 0.276 -0.000 0.824) 0.870 9.042 ( 0.271 0.000 0.680) 0.732 9.175 ( -0.869 0.000 -13.699) 13.727 9.179 ( -1.021 -0.000 -14.283) 14.319 9.810 ( 1.545 -0.000 10.292) 10.408 9.816 ( 1.451 0.000 7.910) 8.042 9.872 ( 1.330 0.000 -0.935) 1.626 9.939 ( -2.972 0.000 -0.438) 3.004 9.963 ( 1.341 0.000 -2.909) 3.203 9.969 ( -0.691 0.000 -0.977) 1.197 10.005 ( 0.299 -0.000 2.098) 2.120 10.054 ( -1.608 0.000 1.959) 2.535 10.434 ( -0.093 -0.000 4.092) 4.093 10.435 ( -0.152 0.000 4.444) 4.446 10.822 ( 0.481 0.000 -7.038) 7.055 10.844 ( -0.771 0.000 -5.525) 5.579 10.928 ( 0.989 0.000 -14.212) 14.246 10.953 ( -0.458 0.000 -12.349) 12.357 11.069 ( 0.560 -0.000 -13.696) 13.707 11.071 ( 0.432 0.000 -13.231) 13.238 12.219 ( 0.057 0.000 15.165) 15.165 12.230 ( -0.565 -0.000 15.560) 15.571 12.599 ( 0.516 -0.000 -0.085) 0.523 12.610 ( -0.091 0.000 0.054) 0.106 12.955 ( 1.244 0.000 -6.661) 6.776 12.955 ( 1.430 -0.000 -5.550) 5.731 13.071 ( -2.081 0.000 -6.737) 7.051 13.096 ( -3.460 -0.000 -4.827) 5.939 13.189 ( 0.094 -0.000 6.011) 6.011 13.191 ( -0.004 0.000 7.942) 7.942 13.341 ( 1.167 -0.000 -1.340) 1.777 13.356 ( 0.092 0.000 -1.620) 1.622 13.519 ( 1.161 0.000 6.933) 7.030 13.544 ( -0.136 0.000 6.165) 6.167 13.849 ( -0.081 0.000 -8.386) 8.386 13.857 ( -0.495 -0.000 -8.651) 8.666 14.401 ( 0.758 0.000 6.993) 7.034 14.418 ( -0.313 0.000 5.118) 5.127 14.448 ( 1.388 0.000 6.223) 6.376 14.460 ( 1.517 -0.000 9.216) 9.340 14.500 ( -0.425 -0.000 1.305) 1.373 14.502 ( -1.375 0.000 4.535) 4.739 14.522 ( -0.287 0.000 -0.042) 0.290 14.543 ( -1.914 0.000 4.081) 4.508 14.655 ( 2.490 0.000 -2.002) 3.195 14.681 ( 0.900 0.000 -1.168) 1.474 14.949 ( 0.883 0.000 -6.658) 6.716 14.971 ( -0.047 0.000 -8.613) 8.614 15.281 ( -2.602 0.000 -1.522) 3.014 15.288 ( -2.972 -0.000 -6.244) 6.916 15.557 ( 1.543 0.000 -14.079) 14.164 15.567 ( 0.907 0.000 -14.150) 14.179 15.998 ( 0.589 0.000 4.558) 4.596 16.031 ( -1.413 0.000 2.650) 3.003 16.168 ( 3.368 0.000 -2.120) 3.980 16.232 ( 2.251 0.000 -8.426) 8.722 16.435 ( -0.716 0.000 28.946) 28.954 16.585 ( -6.978 -0.000 22.684) 23.733 17.116 ( -2.525 0.000 -3.725) 4.500 17.148 ( -4.522 0.000 -8.268) 9.423 17.760 ( 10.458 0.000 2.068) 10.661 17.827 ( 10.014 0.000 4.133) 10.833 18.016 ( -0.628 0.000 -3.341) 3.399 18.068 ( 0.364 0.000 -9.767) 9.774 18.678 ( -3.886 0.000 19.900) 20.276 18.769 ( -8.447 0.000 14.039) 16.385 19.407 ( 2.897 0.000 -10.035) 10.445 19.552 ( -6.198 0.000 -17.860) 18.905 20.186 ( 9.441 0.000 5.646) 11.000 20.339 ( 2.577 0.000 -1.302) 2.887 20.546 ( -3.859 0.000 -12.050) 12.653 20.567 ( -2.742 -0.000 -11.250) 11.579 21.350 ( 0.669 0.000 3.135) 3.206 21.420 ( -3.210 -0.000 0.885) 3.330 21.673 ( 0.681 0.000 -9.722) 9.746 21.713 ( -1.651 0.000 -10.091) 10.225 22.192 ( 3.323 0.000 4.272) 5.412 22.235 ( 0.772 0.000 3.147) 3.241 22.476 ( 0.468 0.000 -9.669) 9.681 22.492 ( -0.349 0.000 -9.316) 9.323 22.918 ( -0.365 -0.000 6.461) 6.472 22.925 ( -0.676 0.000 6.392) 6.428 23.200 ( 0.295 0.000 -9.086) 9.091 23.205 ( 0.029 -0.000 -8.989) 8.989 ======================= Grid point 75 (31/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 0.000 -16.527) 16.527 2.438 ( 0.000 0.000 16.527) 16.527 2.558 ( 0.000 0.000 -0.292) 0.292 2.558 ( 0.000 0.000 0.292) 0.292 2.647 ( 0.000 0.000 -10.544) 10.544 2.647 ( 0.000 0.000 10.544) 10.544 2.755 ( 0.000 0.000 -5.513) 5.513 2.755 ( 0.000 0.000 5.513) 5.513 2.807 ( 0.000 0.000 -21.672) 21.672 2.807 ( 0.000 0.000 21.672) 21.672 2.927 ( 0.000 0.000 -4.253) 4.253 2.927 ( 0.000 0.000 4.253) 4.253 2.962 ( 0.000 0.000 -13.977) 13.977 2.962 ( 0.000 0.000 13.977) 13.977 3.183 ( 0.000 0.000 -7.271) 7.271 3.183 ( 0.000 0.000 7.271) 7.271 3.297 ( 0.000 0.000 -7.517) 7.517 3.297 ( 0.000 0.000 7.517) 7.517 3.506 ( 0.000 0.000 -3.579) 3.579 3.506 ( 0.000 0.000 3.579) 3.579 3.667 ( 0.000 0.000 -1.677) 1.677 3.667 ( 0.000 0.000 1.677) 1.677 3.686 ( 0.000 0.000 -1.956) 1.956 3.686 ( 0.000 0.000 1.956) 1.956 3.891 ( 0.000 0.000 -0.964) 0.964 3.891 ( 0.000 0.000 0.964) 0.964 3.894 ( 0.000 0.000 -0.168) 0.168 3.894 ( 0.000 0.000 0.168) 0.168 4.156 ( 0.000 0.000 -2.037) 2.037 4.156 ( 0.000 0.000 2.037) 2.037 4.185 ( 0.000 0.000 -3.475) 3.475 4.185 ( 0.000 0.000 3.475) 3.475 4.309 ( 0.000 0.000 -5.614) 5.614 4.309 ( 0.000 0.000 5.614) 5.614 4.379 ( 0.000 0.000 -7.847) 7.847 4.379 ( 0.000 0.000 7.847) 7.847 4.547 ( 0.000 0.000 -1.614) 1.614 4.547 ( 0.000 0.000 1.614) 1.614 4.582 ( 0.000 0.000 -4.683) 4.683 4.582 ( 0.000 0.000 4.683) 4.683 4.774 ( 0.000 0.000 -4.147) 4.147 4.774 ( 0.000 0.000 4.147) 4.147 5.134 ( 0.000 0.000 -3.991) 3.991 5.134 ( 0.000 0.000 3.991) 3.991 5.311 ( 0.000 0.000 -7.266) 7.266 5.311 ( 0.000 0.000 7.266) 7.266 5.581 ( 0.000 0.000 -1.062) 1.062 5.581 ( 0.000 0.000 1.062) 1.062 5.674 ( 0.000 0.000 -0.565) 0.565 5.674 ( 0.000 0.000 0.565) 0.565 5.812 ( 0.000 0.000 -6.125) 6.125 5.812 ( 0.000 0.000 6.125) 6.125 5.905 ( 0.000 0.000 -4.512) 4.512 5.905 ( 0.000 0.000 4.512) 4.512 6.192 ( 0.000 0.000 -3.881) 3.881 6.192 ( 0.000 0.000 3.881) 3.881 6.261 ( 0.000 0.000 -2.271) 2.271 6.261 ( 0.000 0.000 2.271) 2.271 6.296 ( 0.000 0.000 -3.828) 3.828 6.296 ( 0.000 0.000 3.828) 3.828 6.515 ( 0.000 0.000 -15.742) 15.742 6.515 ( 0.000 0.000 15.742) 15.742 6.554 ( 0.000 0.000 -0.730) 0.730 6.554 ( 0.000 0.000 0.730) 0.730 6.678 ( 0.000 0.000 -8.844) 8.844 6.678 ( 0.000 0.000 8.844) 8.844 6.788 ( 0.000 0.000 -3.555) 3.555 6.788 ( 0.000 0.000 3.555) 3.555 6.822 ( 0.000 0.000 -6.650) 6.650 6.822 ( 0.000 0.000 6.650) 6.650 6.922 ( 0.000 0.000 -5.762) 5.762 6.922 ( 0.000 0.000 5.762) 5.762 7.261 ( 0.000 0.000 -11.411) 11.411 7.261 ( 0.000 0.000 11.411) 11.411 7.348 ( 0.000 0.000 -5.704) 5.704 7.348 ( 0.000 0.000 5.704) 5.704 7.454 ( 0.000 0.000 -1.180) 1.180 7.454 ( 0.000 0.000 1.180) 1.180 7.618 ( 0.000 0.000 -2.228) 2.228 7.618 ( 0.000 0.000 2.228) 2.228 7.627 ( 0.000 0.000 -2.319) 2.319 7.627 ( 0.000 0.000 2.319) 2.319 7.769 ( 0.000 0.000 -0.926) 0.926 7.769 ( 0.000 0.000 0.926) 0.926 8.062 ( 0.000 0.000 -13.486) 13.486 8.062 ( 0.000 0.000 13.486) 13.486 8.211 ( 0.000 0.000 -0.022) 0.022 8.211 ( 0.000 0.000 0.022) 0.022 8.240 ( 0.000 0.000 -0.851) 0.851 8.240 ( 0.000 0.000 0.851) 0.851 8.324 ( 0.000 0.000 -7.069) 7.069 8.324 ( 0.000 0.000 7.069) 7.069 8.712 ( 0.000 0.000 -2.185) 2.185 8.712 ( 0.000 0.000 2.185) 2.185 8.912 ( 0.000 0.000 -7.130) 7.130 8.912 ( 0.000 0.000 7.130) 7.130 8.995 ( 0.000 0.000 -0.448) 0.448 8.995 ( 0.000 0.000 0.448) 0.448 9.051 ( 0.000 0.000 -0.049) 0.049 9.051 ( 0.000 0.000 0.049) 0.049 9.845 ( 0.000 0.000 -1.486) 1.486 9.845 ( 0.000 0.000 1.486) 1.486 9.911 ( 0.000 0.000 -0.004) 0.004 9.911 ( 0.000 0.000 0.004) 0.004 9.957 ( 0.000 0.000 -2.209) 2.209 9.957 ( 0.000 0.000 2.209) 2.209 10.111 ( 0.000 0.000 -5.318) 5.318 10.111 ( 0.000 0.000 5.318) 5.318 10.506 ( 0.000 0.000 -17.214) 17.214 10.506 ( 0.000 0.000 17.214) 17.214 10.706 ( 0.000 0.000 -9.302) 9.302 10.706 ( 0.000 0.000 9.302) 9.302 10.863 ( 0.000 0.000 -5.147) 5.147 10.863 ( 0.000 0.000 5.147) 5.147 10.875 ( 0.000 0.000 -7.394) 7.394 10.875 ( 0.000 0.000 7.394) 7.394 12.468 ( 0.000 0.000 -6.529) 6.529 12.468 ( 0.000 0.000 6.529) 6.529 12.527 ( 0.000 0.000 -14.108) 14.108 12.527 ( 0.000 0.000 14.108) 14.108 12.908 ( 0.000 0.000 -3.149) 3.149 12.908 ( 0.000 0.000 3.149) 3.149 12.963 ( 0.000 0.000 -5.972) 5.972 12.963 ( 0.000 0.000 5.972) 5.972 13.285 ( 0.000 0.000 -3.855) 3.855 13.285 ( 0.000 0.000 3.855) 3.855 13.355 ( 0.000 0.000 -2.670) 2.670 13.355 ( 0.000 0.000 2.670) 2.670 13.621 ( 0.000 0.000 -11.661) 11.661 13.621 ( 0.000 0.000 11.661) 11.661 13.765 ( 0.000 0.000 -1.862) 1.862 13.765 ( 0.000 0.000 1.862) 1.862 14.362 ( 0.000 0.000 -1.227) 1.227 14.362 ( 0.000 0.000 1.227) 1.227 14.428 ( 0.000 0.000 -0.144) 0.144 14.428 ( 0.000 0.000 0.144) 0.144 14.519 ( 0.000 0.000 -0.793) 0.793 14.519 ( 0.000 0.000 0.793) 0.793 14.693 ( 0.000 0.000 -6.931) 6.931 14.693 ( 0.000 0.000 6.931) 6.931 14.694 ( 0.000 0.000 -0.216) 0.216 14.694 ( 0.000 0.000 0.216) 0.216 14.819 ( 0.000 0.000 -12.503) 12.503 14.819 ( 0.000 0.000 12.503) 12.503 15.134 ( 0.000 0.000 -5.469) 5.469 15.134 ( 0.000 0.000 5.469) 5.469 15.525 ( 0.000 0.000 -4.905) 4.905 15.525 ( 0.000 0.000 4.905) 4.905 16.069 ( 0.000 0.000 -3.250) 3.250 16.069 ( 0.000 0.000 3.250) 3.250 16.153 ( 0.000 0.000 -4.463) 4.463 16.153 ( 0.000 0.000 4.463) 4.463 16.784 ( 0.000 0.000 -22.465) 22.465 16.784 ( 0.000 0.000 22.465) 22.465 17.142 ( 0.000 0.000 -0.877) 0.877 17.142 ( 0.000 0.000 0.877) 0.877 17.766 ( 0.000 0.000 -15.482) 15.482 17.766 ( 0.000 0.000 15.482) 15.482 18.078 ( 0.000 0.000 -5.469) 5.469 18.078 ( 0.000 0.000 5.469) 5.469 18.843 ( 0.000 0.000 -12.555) 12.555 18.843 ( 0.000 0.000 12.555) 12.555 19.391 ( 0.000 0.000 -20.185) 20.185 19.391 ( 0.000 0.000 20.185) 20.185 20.330 ( 0.000 0.000 -7.366) 7.366 20.330 ( 0.000 0.000 7.366) 7.366 20.332 ( 0.000 0.000 -15.061) 15.061 20.332 ( 0.000 0.000 15.061) 15.061 21.365 ( 0.000 0.000 -11.839) 11.839 21.365 ( 0.000 0.000 11.839) 11.839 21.632 ( 0.000 0.000 -5.512) 5.512 21.632 ( 0.000 0.000 5.512) 5.512 22.252 ( 0.000 0.000 -10.437) 10.437 22.252 ( 0.000 0.000 10.437) 10.437 22.401 ( 0.000 0.000 -5.108) 5.108 22.401 ( 0.000 0.000 5.108) 5.108 22.916 ( 0.000 0.000 -5.298) 5.298 22.916 ( 0.000 0.000 5.298) 5.298 23.166 ( 0.000 0.000 -8.065) 8.065 23.166 ( 0.000 0.000 8.065) 8.065 ======================= Grid point 77 (32/36) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 3.922 0.000 -15.773) 16.254 2.487 ( 3.922 0.000 15.773) 16.254 2.582 ( -2.954 0.000 -11.788) 12.152 2.582 ( -2.954 0.000 11.788) 12.152 2.624 ( 3.167 0.000 -0.726) 3.249 2.624 ( 3.167 0.000 0.726) 3.249 2.721 ( -3.489 0.000 -3.753) 5.124 2.721 ( -3.489 0.000 3.753) 5.124 2.828 ( 1.779 0.000 -19.619) 19.700 2.828 ( 1.779 0.000 19.619) 19.700 2.875 ( -2.264 0.000 -14.382) 14.559 2.875 ( -2.264 0.000 14.382) 14.559 3.027 ( 3.643 0.000 -7.037) 7.924 3.027 ( 3.643 0.000 7.037) 7.924 3.119 ( -4.232 0.000 -4.982) 6.536 3.119 ( -4.232 0.000 4.982) 6.536 3.351 ( 3.655 0.000 -3.683) 5.189 3.351 ( 3.655 0.000 3.683) 5.189 3.444 ( -4.292 0.000 -0.935) 4.393 3.444 ( -4.292 0.000 0.935) 4.393 3.700 ( 2.364 0.000 -2.333) 3.321 3.700 ( 2.364 0.000 2.333) 3.322 3.717 ( 1.203 0.000 -1.315) 1.782 3.717 ( 1.203 0.000 1.315) 1.782 3.874 ( -0.189 0.000 -0.177) 0.259 3.874 ( -0.189 0.000 0.177) 0.259 3.894 ( -1.038 0.000 -0.503) 1.153 3.894 ( -1.038 0.000 0.503) 1.153 4.142 ( -0.181 0.000 -3.523) 3.528 4.142 ( -0.181 0.000 3.523) 3.528 4.165 ( -1.728 0.000 -4.438) 4.763 4.165 ( -1.728 0.000 4.438) 4.763 4.356 ( 4.018 0.000 -4.684) 6.171 4.356 ( 4.018 0.000 4.685) 6.171 4.427 ( 1.668 0.000 -0.772) 1.838 4.427 ( 1.668 0.000 0.772) 1.838 4.498 ( -2.887 0.000 -2.209) 3.635 4.498 ( -2.887 0.000 2.209) 3.635 4.534 ( -2.160 0.000 -4.848) 5.308 4.534 ( -2.160 0.000 4.848) 5.308 4.867 ( 6.300 0.000 -6.487) 9.043 4.867 ( 6.300 0.000 6.487) 9.043 5.031 ( -7.490 0.000 -6.103) 9.662 5.031 ( -7.490 0.000 6.103) 9.662 5.379 ( 5.514 0.000 -4.616) 7.191 5.379 ( 5.514 0.000 4.616) 7.191 5.512 ( -5.171 0.000 -1.468) 5.375 5.512 ( -5.171 0.000 1.468) 5.375 5.708 ( 1.975 0.000 -1.206) 2.314 5.708 ( 1.975 0.000 1.206) 2.314 5.758 ( -2.417 0.000 -3.982) 4.658 5.758 ( -2.417 0.000 3.982) 4.658 6.001 ( 5.597 0.000 -4.015) 6.888 6.001 ( 5.597 0.000 4.015) 6.888 6.132 ( -5.551 0.000 -3.281) 6.448 6.132 ( -5.551 0.000 3.281) 6.448 6.222 ( -0.404 0.000 -3.014) 3.041 6.222 ( -0.404 0.000 3.014) 3.041 6.249 ( -2.468 0.000 -3.664) 4.417 6.249 ( -2.468 0.000 3.664) 4.417 6.570 ( 3.688 0.000 -8.513) 9.278 6.570 ( 3.688 0.000 8.513) 9.278 6.604 ( 3.278 0.000 -5.772) 6.638 6.604 ( 3.278 0.000 5.772) 6.638 6.678 ( -2.229 0.000 -6.035) 6.433 6.678 ( -2.229 0.000 6.035) 6.433 6.718 ( -5.080 0.000 -4.256) 6.627 6.718 ( -5.080 0.000 4.256) 6.627 6.880 ( 7.034 0.000 -1.827) 7.268 6.880 ( 7.034 0.000 1.827) 7.268 6.976 ( 0.469 0.000 -2.575) 2.617 6.976 ( 0.469 0.000 2.575) 2.617 7.295 ( 3.379 0.000 -8.554) 9.197 7.295 ( 3.379 0.000 8.554) 9.197 7.397 ( 2.962 0.000 -2.749) 4.041 7.397 ( 2.962 0.000 2.749) 4.041 7.420 ( -3.699 0.000 -5.758) 6.844 7.420 ( -3.699 0.000 5.758) 6.844 7.531 ( -6.440 0.000 -2.628) 6.956 7.531 ( -6.440 0.000 2.628) 6.956 7.606 ( 2.310 0.000 -0.668) 2.404 7.606 ( 2.310 0.000 0.668) 2.404 7.707 ( -4.751 0.000 -1.447) 4.967 7.707 ( -4.751 0.000 1.447) 4.967 8.114 ( 3.331 0.000 -7.453) 8.164 8.114 ( 3.331 0.000 7.454) 8.164 8.178 ( -2.092 0.000 -1.621) 2.647 8.178 ( -2.092 0.000 1.621) 2.647 8.301 ( 2.933 0.000 -1.925) 3.508 8.301 ( 2.933 0.000 1.925) 3.508 8.331 ( 0.094 0.000 -5.583) 5.584 8.331 ( 0.094 0.000 5.583) 5.584 8.744 ( 3.014 0.000 -2.536) 3.939 8.744 ( 3.014 0.000 2.536) 3.939 8.840 ( -4.776 0.000 -4.563) 6.605 8.840 ( -4.776 0.000 4.563) 6.605 9.023 ( 1.376 0.000 -1.184) 1.815 9.023 ( 1.376 0.000 1.184) 1.815 9.045 ( -0.592 0.000 -0.448) 0.742 9.045 ( -0.592 0.000 0.448) 0.742 9.881 ( 2.292 0.000 -1.452) 2.713 9.881 ( 2.292 0.000 1.452) 2.713 9.912 ( -0.319 0.000 -2.053) 2.078 9.912 ( -0.319 0.000 2.053) 2.078 9.971 ( 1.935 0.000 -0.360) 1.968 9.971 ( 1.935 0.000 0.360) 1.968 10.053 ( -4.241 0.000 -3.142) 5.278 10.053 ( -4.241 0.000 3.142) 5.278 10.563 ( 4.309 0.000 -15.324) 15.918 10.563 ( 4.309 0.000 15.324) 15.918 10.662 ( -3.681 0.000 -11.586) 12.157 10.662 ( -3.681 0.000 11.586) 12.157 10.863 ( 0.151 0.000 -5.468) 5.470 10.863 ( 0.151 0.000 5.468) 5.470 10.870 ( -0.344 0.000 -6.166) 6.176 10.870 ( -0.344 0.000 6.166) 6.176 12.483 ( 1.258 0.000 -8.360) 8.454 12.483 ( 1.258 0.000 8.360) 8.454 12.514 ( -1.133 0.000 -11.994) 12.048 12.514 ( -1.133 0.000 11.994) 12.048 12.922 ( 1.261 0.000 -3.354) 3.583 12.922 ( 1.261 0.000 3.354) 3.583 12.953 ( -1.042 0.000 -4.748) 4.861 12.953 ( -1.042 0.000 4.748) 4.862 13.295 ( 1.166 0.000 -3.693) 3.873 13.295 ( 1.166 0.000 3.693) 3.873 13.333 ( -1.726 0.000 -2.890) 3.366 13.333 ( -1.726 0.000 2.890) 3.366 13.663 ( 3.182 0.000 -8.810) 9.367 13.663 ( 3.182 0.000 8.810) 9.367 13.734 ( -2.593 0.000 -4.004) 4.770 13.734 ( -2.593 0.000 4.004) 4.770 14.371 ( 0.889 0.000 -0.918) 1.278 14.371 ( 0.889 0.000 0.918) 1.278 14.403 ( -1.691 0.000 -0.347) 1.726 14.403 ( -1.691 0.000 0.347) 1.726 14.543 ( 1.950 0.000 -0.366) 1.984 14.543 ( 1.950 0.000 0.366) 1.984 14.609 ( -3.800 0.000 -0.214) 3.806 14.609 ( -3.800 0.000 0.214) 3.806 14.744 ( 1.711 0.000 -7.736) 7.923 14.744 ( 1.711 0.000 7.736) 7.923 14.782 ( -1.883 0.000 -10.720) 10.885 14.782 ( -1.883 0.000 10.720) 10.885 15.288 ( 9.963 0.000 -3.277) 10.488 15.288 ( 9.963 0.000 3.277) 10.488 15.471 ( -5.197 0.000 -1.877) 5.526 15.471 ( -5.197 0.000 1.877) 5.526 16.072 ( 0.790 0.000 -1.674) 1.851 16.072 ( 0.790 0.000 1.674) 1.851 16.117 ( -2.650 0.000 -2.904) 3.932 16.117 ( -2.650 0.000 2.904) 3.932 16.856 ( 6.232 0.000 -20.000) 20.948 16.856 ( 6.232 0.000 20.000) 20.948 17.036 ( -8.178 0.000 -10.219) 13.088 17.036 ( -8.178 0.000 10.219) 13.088 17.831 ( 6.255 0.000 -10.549) 12.264 17.831 ( 6.255 0.000 10.549) 12.264 18.002 ( -6.803 0.000 -5.716) 8.886 18.002 ( -6.803 0.000 5.716) 8.886 18.982 ( 11.063 0.000 -13.767) 17.661 18.982 ( 11.063 0.000 13.767) 17.661 19.253 ( -10.840 0.000 -16.812) 20.004 19.253 ( -10.840 0.000 16.812) 20.004 20.352 ( 1.990 0.000 -2.639) 3.305 20.352 ( 1.990 0.000 2.639) 3.305 20.369 ( 1.106 0.000 -3.248) 3.431 20.369 ( 1.106 0.000 3.248) 3.431 21.408 ( 4.386 0.000 -10.893) 11.743 21.408 ( 4.386 0.000 10.893) 11.743 21.550 ( -6.552 0.000 -8.224) 10.515 21.550 ( -6.552 0.000 8.224) 10.515 22.281 ( 2.839 0.000 -7.478) 7.999 22.281 ( 2.839 0.000 7.478) 7.999 22.360 ( -3.317 0.000 -5.398) 6.336 22.360 ( -3.317 0.000 5.398) 6.336 22.996 ( 5.730 0.000 -6.596) 8.737 22.996 ( 5.730 0.000 6.596) 8.737 23.117 ( -4.146 0.000 -7.782) 8.817 23.117 ( -4.146 0.000 7.782) 8.817 ======================= Grid point 81 (33/36) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.000 1.081 -14.780) 14.820 2.449 ( 0.000 1.081 14.780) 14.820 2.537 ( 0.000 -1.624 -5.159) 5.409 2.537 ( 0.000 -1.624 5.159) 5.409 2.632 ( 0.000 -0.987 -10.138) 10.186 2.632 ( 0.000 -0.987 10.138) 10.186 2.696 ( 0.000 -5.773 -6.009) 8.333 2.696 ( 0.000 -5.773 6.009) 8.333 2.781 ( 0.000 -2.097 -5.769) 6.138 2.781 ( 0.000 -2.097 5.769) 6.138 2.837 ( 0.000 -6.717 -1.411) 6.864 2.837 ( 0.000 -6.717 1.411) 6.864 2.875 ( 0.000 -1.429 -6.095) 6.260 2.875 ( 0.000 -1.429 6.095) 6.260 3.067 ( 0.000 -7.045 -2.872) 7.608 3.067 ( 0.000 -7.045 2.872) 7.608 3.431 ( 0.000 7.307 -9.506) 11.990 3.431 ( 0.000 7.307 9.506) 11.990 3.566 ( 0.000 1.917 -3.019) 3.576 3.566 ( 0.000 1.917 3.019) 3.576 3.672 ( 0.000 -0.347 -4.502) 4.515 3.672 ( 0.000 -0.347 4.502) 4.515 3.681 ( 0.000 0.788 -1.301) 1.521 3.681 ( 0.000 0.788 1.301) 1.521 3.914 ( 0.000 1.936 -0.832) 2.107 3.914 ( 0.000 1.936 0.832) 2.107 3.933 ( 0.000 2.310 -2.768) 3.606 3.933 ( 0.000 2.310 2.768) 3.606 4.168 ( 0.000 1.022 -4.270) 4.390 4.168 ( 0.000 1.022 4.270) 4.391 4.206 ( 0.000 0.823 -1.784) 1.965 4.206 ( 0.000 0.823 1.784) 1.965 4.361 ( 0.000 3.856 -4.711) 6.088 4.361 ( 0.000 3.856 4.711) 6.088 4.394 ( 0.000 1.559 -6.239) 6.431 4.394 ( 0.000 1.559 6.239) 6.431 4.577 ( 0.000 2.322 -1.935) 3.023 4.577 ( 0.000 2.322 1.935) 3.023 4.597 ( 0.000 1.303 -4.450) 4.637 4.597 ( 0.000 1.302 4.450) 4.637 4.836 ( 0.000 5.514 -5.512) 7.797 4.836 ( 0.000 5.514 5.512) 7.797 5.132 ( 0.000 -2.609 -1.792) 3.165 5.132 ( 0.000 -2.609 1.792) 3.165 5.300 ( 0.000 1.596 -6.802) 6.987 5.300 ( 0.000 1.596 6.802) 6.987 5.563 ( 0.000 -2.736 -1.141) 2.964 5.563 ( 0.000 -2.736 1.141) 2.964 5.689 ( 0.000 0.887 -3.296) 3.413 5.689 ( 0.000 0.887 3.296) 3.413 5.740 ( 0.000 -4.759 -4.689) 6.681 5.740 ( 0.000 -4.759 4.689) 6.681 5.915 ( 0.000 1.488 -6.448) 6.617 5.915 ( 0.000 1.488 6.448) 6.617 6.127 ( 0.000 -5.386 -4.847) 7.246 6.127 ( 0.000 -5.386 4.847) 7.246 6.253 ( 0.000 -0.219 -1.184) 1.204 6.253 ( 0.000 -0.219 1.184) 1.204 6.282 ( 0.000 -1.114 -2.120) 2.395 6.282 ( 0.000 -1.114 2.120) 2.395 6.538 ( 0.000 1.179 -13.534) 13.585 6.538 ( 0.000 1.179 13.534) 13.585 6.550 ( 0.000 -0.228 -5.566) 5.570 6.550 ( 0.000 -0.228 5.566) 5.570 6.690 ( 0.000 1.060 -10.744) 10.796 6.690 ( 0.000 1.060 10.744) 10.796 6.765 ( 0.000 -1.832 -4.292) 4.667 6.765 ( 0.000 -1.832 4.292) 4.667 6.837 ( 0.000 1.356 -2.454) 2.804 6.837 ( 0.000 1.356 2.454) 2.804 6.909 ( 0.000 -1.180 -4.148) 4.313 6.909 ( 0.000 -1.180 4.148) 4.313 7.290 ( 0.000 2.192 -13.810) 13.983 7.290 ( 0.000 2.192 13.810) 13.983 7.341 ( 0.000 -0.441 -7.890) 7.902 7.341 ( 0.000 -0.441 7.890) 7.902 7.462 ( 0.000 1.170 -4.257) 4.415 7.462 ( 0.000 1.170 4.258) 4.415 7.585 ( 0.000 -2.754 -5.133) 5.825 7.585 ( 0.000 -2.753 5.134) 5.825 7.671 ( 0.000 3.183 -1.085) 3.363 7.671 ( 0.000 3.183 1.085) 3.363 7.768 ( 0.000 -0.474 -2.404) 2.450 7.768 ( 0.000 -0.474 2.404) 2.450 8.074 ( 0.000 1.265 -13.428) 13.487 8.074 ( 0.000 1.265 13.428) 13.487 8.183 ( 0.000 -2.375 -6.112) 6.557 8.183 ( 0.000 -2.375 6.112) 6.557 8.275 ( 0.000 2.688 -1.121) 2.913 8.275 ( 0.000 2.688 1.121) 2.913 8.331 ( 0.000 0.389 -5.966) 5.978 8.331 ( 0.000 0.389 5.966) 5.978 8.721 ( 0.000 1.156 -2.276) 2.553 8.721 ( 0.000 1.156 2.276) 2.553 8.866 ( 0.000 -3.811 -5.527) 6.714 8.866 ( 0.000 -3.811 5.527) 6.714 9.005 ( 0.000 0.837 -0.568) 1.011 9.005 ( 0.000 0.837 0.568) 1.011 9.044 ( 0.000 -0.658 -0.700) 0.961 9.044 ( 0.000 -0.658 0.700) 0.961 9.839 ( 0.000 0.110 -2.184) 2.187 9.839 ( 0.000 0.110 2.184) 2.187 9.895 ( 0.000 -1.342 -2.248) 2.618 9.895 ( 0.000 -1.342 2.248) 2.618 10.001 ( 0.000 3.012 -1.300) 3.280 10.001 ( 0.000 3.012 1.300) 3.280 10.098 ( 0.000 -1.137 -4.589) 4.728 10.098 ( 0.000 -1.137 4.589) 4.728 10.537 ( 0.000 2.726 -16.219) 16.446 10.537 ( 0.000 2.726 16.219) 16.446 10.680 ( 0.000 -2.356 -10.968) 11.219 10.680 ( 0.000 -2.356 10.968) 11.219 10.862 ( 0.000 -0.070 -5.391) 5.391 10.862 ( 0.000 -0.070 5.391) 5.391 10.869 ( 0.000 -0.408 -6.770) 6.782 10.869 ( 0.000 -0.408 6.770) 6.782 12.477 ( 0.000 0.807 -8.075) 8.115 12.477 ( 0.000 0.807 8.075) 8.115 12.519 ( 0.000 -0.716 -13.274) 13.293 12.519 ( 0.000 -0.716 13.274) 13.293 12.919 ( 0.000 0.957 -4.931) 5.023 12.919 ( 0.000 0.957 4.931) 5.023 12.960 ( 0.000 -0.369 -6.785) 6.795 12.960 ( 0.000 -0.369 6.785) 6.795 13.289 ( 0.000 0.462 -3.714) 3.743 13.289 ( 0.000 0.462 3.714) 3.743 13.340 ( 0.000 -1.223 -2.934) 3.179 13.340 ( 0.000 -1.223 2.934) 3.179 13.636 ( 0.000 1.423 -10.837) 10.930 13.636 ( 0.000 1.423 10.837) 10.930 13.736 ( 0.000 -2.341 -5.157) 5.664 13.736 ( 0.000 -2.341 5.157) 5.664 14.412 ( 0.000 4.345 -0.553) 4.380 14.412 ( 0.000 4.345 0.553) 4.380 14.464 ( 0.000 2.653 -1.888) 3.257 14.464 ( 0.000 2.653 1.889) 3.257 14.513 ( 0.000 -0.579 -1.662) 1.760 14.513 ( 0.000 -0.579 1.662) 1.760 14.665 ( 0.000 -3.000 -0.350) 3.020 14.665 ( 0.000 -3.000 0.350) 3.020 14.709 ( 0.000 1.330 -8.341) 8.447 14.709 ( 0.000 1.330 8.341) 8.447 14.787 ( 0.000 -2.371 -12.694) 12.914 14.787 ( 0.000 -2.371 12.694) 12.914 15.195 ( 0.000 5.508 -6.791) 8.744 15.195 ( 0.000 5.508 6.791) 8.744 15.482 ( 0.000 -4.096 -3.284) 5.250 15.482 ( 0.000 -4.096 3.284) 5.250 16.067 ( 0.000 -0.029 -2.620) 2.620 16.067 ( 0.000 -0.029 2.620) 2.620 16.123 ( 0.000 -2.273 -4.265) 4.833 16.123 ( 0.000 -2.273 4.265) 4.833 16.839 ( 0.000 4.599 -21.196) 21.689 16.839 ( 0.000 4.599 21.196) 21.689 17.091 ( 0.000 -4.536 -9.127) 10.192 17.091 ( 0.000 -4.536 9.127) 10.192 17.782 ( 0.000 1.540 -14.826) 14.905 17.782 ( 0.000 1.540 14.826) 14.905 17.973 ( 0.000 -7.224 -3.991) 8.253 17.973 ( 0.000 -7.224 3.991) 8.253 18.960 ( 0.000 8.836 -15.553) 17.888 18.960 ( 0.000 8.836 15.553) 17.888 19.327 ( 0.000 -5.623 -20.088) 20.861 19.327 ( 0.000 -5.623 20.088) 20.861 20.335 ( 0.000 0.404 -8.684) 8.693 20.335 ( 0.000 0.404 8.684) 8.693 20.338 ( 0.000 0.374 -14.035) 14.040 20.338 ( 0.000 0.374 14.035) 14.040 21.415 ( 0.000 4.136 -10.542) 11.324 21.415 ( 0.000 4.136 10.542) 11.324 21.602 ( 0.000 -2.745 -6.203) 6.783 21.602 ( 0.000 -2.745 6.203) 6.783 22.264 ( 0.000 1.158 -9.695) 9.764 22.264 ( 0.000 1.158 9.695) 9.764 22.367 ( 0.000 -2.722 -5.784) 6.393 22.367 ( 0.000 -2.722 5.784) 6.393 22.959 ( 0.000 3.555 -5.520) 6.566 22.959 ( 0.000 3.555 5.520) 6.566 23.132 ( 0.000 -2.912 -7.511) 8.056 23.132 ( 0.000 -2.912 7.511) 8.056 ======================= Grid point 83 (34/36) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.303 0.278 -13.088) 13.501 2.489 ( 3.303 0.278 13.088) 13.501 2.573 ( -2.488 -0.675 -7.981) 8.387 2.573 ( -2.488 -0.675 7.981) 8.387 2.600 ( 2.881 -2.025 -2.703) 4.439 2.600 ( 2.881 -2.025 2.703) 4.439 2.681 ( -2.310 -4.115 -5.300) 7.096 2.681 ( -2.310 -4.115 5.300) 7.096 2.783 ( 0.668 -2.315 -12.273) 12.508 2.783 ( 0.668 -2.315 12.273) 12.508 2.811 ( -1.540 -3.490 -8.674) 9.476 2.811 ( -1.540 -3.490 8.674) 9.476 2.928 ( 3.734 -5.146 -1.799) 6.608 2.928 ( 3.734 -5.146 1.799) 6.608 3.020 ( -3.759 -6.477 -1.924) 7.732 3.020 ( -3.759 -6.477 1.925) 7.732 3.445 ( 1.555 5.268 -8.321) 9.971 3.445 ( 1.555 5.268 8.321) 9.971 3.508 ( -3.698 2.648 -6.115) 7.621 3.508 ( -3.698 2.648 6.115) 7.621 3.696 ( 2.386 0.410 -1.721) 2.971 3.696 ( 2.386 0.410 1.721) 2.971 3.720 ( 0.772 -0.035 -0.795) 1.109 3.720 ( 0.772 -0.035 0.795) 1.109 3.910 ( 0.476 2.375 -1.203) 2.704 3.910 ( 0.476 2.375 1.203) 2.704 3.934 ( -0.785 2.635 -2.408) 3.655 3.934 ( -0.785 2.635 2.408) 3.655 4.160 ( 0.671 1.194 -1.997) 2.422 4.160 ( 0.671 1.194 1.997) 2.422 4.201 ( -1.834 2.125 -2.455) 3.729 4.201 ( -1.834 2.125 2.455) 3.729 4.365 ( 2.741 1.182 -4.543) 5.436 4.365 ( 2.741 1.182 4.543) 5.436 4.434 ( -0.709 0.177 -0.984) 1.226 4.434 ( -0.709 0.177 0.984) 1.226 4.529 ( -0.183 3.279 -4.041) 5.207 4.529 ( -0.183 3.279 4.041) 5.207 4.577 ( -2.119 3.050 -5.375) 6.533 4.577 ( -2.119 3.050 5.375) 6.533 4.921 ( 5.996 4.606 -6.505) 9.974 4.921 ( 5.996 4.606 6.505) 9.974 5.068 ( -5.962 2.262 -5.077) 8.151 5.068 ( -5.962 2.262 5.077) 8.151 5.340 ( 4.805 -2.605 -5.637) 7.852 5.340 ( 4.805 -2.605 5.637) 7.852 5.478 ( -6.055 -3.491 -2.722) 7.500 5.478 ( -6.055 -3.491 2.722) 7.500 5.714 ( 1.016 0.373 -1.959) 2.238 5.714 ( 1.016 0.373 1.959) 2.238 5.730 ( -0.374 -1.687 -1.963) 2.615 5.730 ( -0.374 -1.687 1.963) 2.615 5.979 ( 4.277 -1.202 -5.801) 7.306 5.979 ( 4.277 -1.202 5.801) 7.306 6.080 ( -4.065 -4.097 -4.657) 7.416 6.080 ( -4.065 -4.097 4.657) 7.416 6.223 ( -0.132 -0.063 -1.287) 1.296 6.223 ( -0.132 -0.063 1.287) 1.296 6.254 ( -2.210 0.348 -2.252) 3.174 6.254 ( -2.210 0.348 2.252) 3.174 6.541 ( 1.839 -1.728 -7.266) 7.691 6.541 ( 1.839 -1.728 7.266) 7.691 6.578 ( 0.022 -1.691 -11.506) 11.630 6.578 ( 0.022 -1.691 11.506) 11.630 6.705 ( -0.549 1.674 -6.454) 6.690 6.705 ( -0.549 1.674 6.454) 6.690 6.728 ( -2.666 0.563 -2.383) 3.620 6.728 ( -2.666 0.563 2.384) 3.620 6.882 ( 6.745 0.156 -2.684) 7.261 6.882 ( 6.745 0.156 2.684) 7.261 6.972 ( 0.787 -0.286 -1.821) 2.005 6.972 ( 0.787 -0.286 1.821) 2.005 7.306 ( 2.025 0.767 -9.581) 9.823 7.306 ( 2.025 0.767 9.581) 9.823 7.376 ( 0.267 -1.214 -1.429) 1.894 7.376 ( 0.267 -1.214 1.429) 1.894 7.420 ( -1.298 0.207 -4.231) 4.430 7.420 ( -1.298 0.207 4.231) 4.430 7.504 ( -5.384 -1.589 -3.437) 6.583 7.504 ( -5.384 -1.589 3.437) 6.583 7.673 ( 2.237 4.359 -0.401) 4.916 7.673 ( 2.237 4.359 0.401) 4.916 7.748 ( -2.854 2.562 -2.580) 4.622 7.748 ( -2.854 2.562 2.580) 4.622 8.110 ( 2.437 -0.196 -8.554) 8.896 8.110 ( 2.437 -0.196 8.554) 8.896 8.159 ( -1.733 -1.546 -6.115) 6.541 8.159 ( -1.733 -1.546 6.115) 6.541 8.310 ( 2.089 0.767 -2.365) 3.248 8.310 ( 2.089 0.767 2.365) 3.248 8.336 ( -0.067 0.280 -5.208) 5.216 8.336 ( -0.067 0.280 5.208) 5.216 8.748 ( 2.419 0.539 -2.133) 3.270 8.748 ( 2.419 0.539 2.133) 3.270 8.821 ( -3.391 -1.729 -3.729) 5.328 8.821 ( -3.391 -1.729 3.729) 5.328 9.017 ( 0.823 -0.285 -0.598) 1.057 9.017 ( 0.823 -0.285 0.598) 1.057 9.035 ( -0.675 -0.764 -0.322) 1.069 9.035 ( -0.675 -0.764 0.322) 1.069 9.871 ( 2.506 -0.552 -1.894) 3.189 9.871 ( 2.506 -0.552 1.894) 3.189 9.911 ( 0.128 -0.031 -2.226) 2.230 9.911 ( 0.128 -0.031 2.226) 2.230 9.994 ( 0.468 1.471 -1.584) 2.212 9.994 ( 0.468 1.471 1.584) 2.212 10.050 ( -3.439 -0.191 -3.164) 4.677 10.050 ( -3.439 -0.191 3.164) 4.677 10.574 ( 2.821 0.952 -14.329) 14.635 10.574 ( 2.821 0.952 14.329) 14.635 10.643 ( -2.846 -1.566 -11.615) 12.061 10.643 ( -2.846 -1.566 11.615) 12.061 10.869 ( 0.497 0.397 -3.211) 3.274 10.869 ( 0.497 0.397 3.211) 3.274 10.874 ( 0.130 0.269 -3.853) 3.865 10.874 ( 0.130 0.269 3.853) 3.865 12.488 ( 0.879 0.365 -9.295) 9.344 12.488 ( 0.879 0.365 9.295) 9.344 12.510 ( -0.814 -0.355 -11.606) 11.640 12.510 ( -0.814 -0.355 11.606) 11.640 12.927 ( 0.856 0.439 -3.898) 4.015 12.927 ( 0.856 0.439 3.898) 4.015 12.951 ( -0.928 -0.241 -4.744) 4.840 12.951 ( -0.928 -0.241 4.744) 4.840 13.296 ( 0.908 0.193 -3.619) 3.736 13.296 ( 0.908 0.193 3.619) 3.736 13.325 ( -1.263 -0.679 -3.120) 3.433 13.325 ( -1.263 -0.679 3.120) 3.433 13.664 ( 2.135 0.275 -8.863) 9.120 13.664 ( 2.135 0.275 8.863) 9.120 13.714 ( -1.858 -1.585 -5.953) 6.435 13.714 ( -1.858 -1.585 5.953) 6.435 14.421 ( 0.770 3.942 -0.571) 4.057 14.421 ( 0.770 3.942 0.571) 4.057 14.444 ( -1.183 2.876 -1.395) 3.408 14.444 ( -1.183 2.876 1.395) 3.408 14.543 ( 2.287 0.068 -1.548) 2.762 14.543 ( 2.287 0.068 1.548) 2.762 14.610 ( -3.333 -0.198 -1.756) 3.772 14.610 ( -3.333 -0.198 1.756) 3.772 14.741 ( 1.568 -0.091 -8.815) 8.954 14.741 ( 1.568 -0.091 8.815) 8.954 14.771 ( -1.124 -0.903 -11.272) 11.364 14.771 ( -1.124 -0.903 11.272) 11.364 15.286 ( 6.645 0.352 -5.759) 8.800 15.286 ( 6.645 0.352 5.759) 8.800 15.427 ( -4.799 -3.756 -3.058) 6.818 15.427 ( -4.799 -3.756 3.058) 6.818 16.078 ( 1.121 0.480 -2.853) 3.103 16.078 ( 1.121 0.480 2.853) 3.103 16.111 ( -1.269 -0.505 -3.980) 4.208 16.111 ( -1.269 -0.505 3.980) 4.208 16.871 ( 3.735 1.395 -18.990) 19.404 16.871 ( 3.735 1.395 18.990) 19.404 17.004 ( -6.598 -2.592 -10.924) 13.022 17.004 ( -6.598 -2.592 10.924) 13.022 17.847 ( 5.787 1.366 -8.822) 10.639 17.847 ( 5.787 1.366 8.823) 10.639 17.968 ( -2.761 -2.636 -4.654) 6.019 17.968 ( -2.761 -2.636 4.654) 6.019 19.022 ( 6.178 3.445 -15.602) 17.130 19.022 ( 6.178 3.445 15.602) 17.130 19.213 ( -8.729 -3.513 -17.720) 20.063 19.213 ( -8.729 -3.513 17.720) 20.063 20.350 ( 1.816 -0.129 -7.853) 8.061 20.350 ( 1.816 -0.129 7.853) 8.061 20.371 ( 0.690 0.097 -4.451) 4.505 20.371 ( 0.690 0.097 4.451) 4.505 21.439 ( 2.939 2.439 -9.931) 10.640 21.439 ( 2.939 2.439 9.931) 10.640 21.542 ( -4.845 -0.745 -8.052) 9.427 21.542 ( -4.845 -0.745 8.052) 9.427 22.290 ( 2.488 0.807 -6.864) 7.346 22.290 ( 2.488 0.807 6.864) 7.346 22.350 ( -1.952 -0.894 -5.182) 5.609 22.350 ( -1.952 -0.894 5.182) 5.609 23.009 ( 3.790 1.187 -6.447) 7.572 23.009 ( 3.790 1.187 6.447) 7.572 23.095 ( -3.134 -1.870 -7.338) 8.195 23.095 ( -3.134 -1.870 7.338) 8.195 ======================= Grid point 87 (35/36) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 0.000 -2.417 -8.876) 9.199 2.489 ( 0.000 2.417 -8.876) 9.199 2.489 ( 0.000 -2.417 8.876) 9.199 2.489 ( 0.000 2.417 8.876) 9.199 2.623 ( 0.000 -0.315 -9.153) 9.158 2.623 ( 0.000 0.315 -9.152) 9.158 2.623 ( 0.000 -0.315 9.153) 9.158 2.623 ( 0.000 0.315 9.153) 9.158 2.735 ( 0.000 -0.794 -2.860) 2.968 2.735 ( 0.000 0.794 -2.860) 2.968 2.735 ( 0.000 -0.794 2.860) 2.968 2.735 ( 0.000 0.794 2.860) 2.968 2.936 ( 0.000 -4.919 -3.941) 6.303 2.936 ( 0.000 4.919 -3.941) 6.303 2.936 ( 0.000 -4.919 3.941) 6.303 2.936 ( 0.000 4.919 3.941) 6.303 3.544 ( 0.000 -3.233 -6.335) 7.112 3.544 ( 0.000 3.233 -6.335) 7.112 3.544 ( 0.000 -3.233 6.335) 7.112 3.544 ( 0.000 3.233 6.335) 7.112 3.683 ( 0.000 -0.567 -3.745) 3.787 3.683 ( 0.000 0.567 -3.745) 3.787 3.683 ( 0.000 -0.567 3.745) 3.787 3.683 ( 0.000 0.567 3.745) 3.787 3.951 ( 0.000 -0.660 -1.508) 1.646 3.951 ( 0.000 0.660 -1.508) 1.646 3.951 ( 0.000 -0.660 1.508) 1.646 3.951 ( 0.000 0.660 1.508) 1.646 4.197 ( 0.000 -1.001 -1.247) 1.599 4.197 ( 0.000 1.001 -1.247) 1.599 4.197 ( 0.000 -1.001 1.247) 1.599 4.197 ( 0.000 1.001 1.247) 1.599 4.418 ( 0.000 -0.189 -3.332) 3.337 4.418 ( 0.000 0.189 -3.332) 3.337 4.418 ( 0.000 -0.189 3.332) 3.337 4.418 ( 0.000 0.189 3.332) 3.337 4.616 ( 0.000 -0.160 -3.831) 3.835 4.616 ( 0.000 0.160 -3.832) 3.835 4.616 ( 0.000 -0.160 3.832) 3.835 4.616 ( 0.000 0.160 3.832) 3.835 4.994 ( 0.000 -8.186 -4.858) 9.519 4.994 ( 0.000 -8.186 4.858) 9.519 4.994 ( 0.000 8.186 -4.858) 9.519 4.994 ( 0.000 8.186 4.858) 9.519 5.423 ( 0.000 -8.130 -3.295) 8.772 5.423 ( 0.000 -8.130 3.295) 8.772 5.423 ( 0.000 8.130 -3.295) 8.772 5.423 ( 0.000 8.130 3.295) 8.772 5.695 ( 0.000 -0.003 -3.591) 3.591 5.695 ( 0.000 0.003 -3.591) 3.591 5.695 ( 0.000 -0.003 3.591) 3.591 5.695 ( 0.000 0.003 3.591) 3.591 5.995 ( 0.000 -5.710 -6.681) 8.789 5.995 ( 0.000 5.710 -6.681) 8.789 5.995 ( 0.000 -5.710 6.681) 8.789 5.995 ( 0.000 5.710 6.681) 8.789 6.259 ( 0.000 -0.455 -0.308) 0.550 6.259 ( 0.000 -0.455 0.308) 0.550 6.259 ( 0.000 0.455 -0.308) 0.550 6.259 ( 0.000 0.455 0.308) 0.550 6.549 ( 0.000 -0.000 -10.515) 10.515 6.549 ( 0.000 0.000 -10.515) 10.515 6.549 ( 0.000 -0.000 10.515) 10.515 6.549 ( 0.000 0.000 10.515) 10.515 6.722 ( 0.000 -1.857 -10.729) 10.888 6.722 ( 0.000 1.857 -10.729) 10.888 6.722 ( 0.000 -1.857 10.729) 10.888 6.722 ( 0.000 1.857 10.729) 10.888 6.875 ( 0.000 -1.116 -2.229) 2.493 6.875 ( 0.000 1.116 -2.229) 2.493 6.875 ( 0.000 -1.116 2.229) 2.493 6.875 ( 0.000 1.116 2.229) 2.493 7.329 ( 0.000 -0.802 -12.790) 12.815 7.329 ( 0.000 0.802 -12.790) 12.815 7.329 ( 0.000 -0.802 12.790) 12.815 7.329 ( 0.000 0.802 12.790) 12.815 7.514 ( 0.000 -3.060 -7.304) 7.920 7.514 ( 0.000 3.060 -7.304) 7.920 7.514 ( 0.000 -3.060 7.304) 7.920 7.514 ( 0.000 3.060 7.304) 7.920 7.736 ( 0.000 -2.093 -1.899) 2.826 7.736 ( 0.000 2.093 -1.899) 2.826 7.736 ( 0.000 -2.093 1.899) 2.826 7.736 ( 0.000 2.093 1.899) 2.826 8.121 ( 0.000 -2.869 -11.580) 11.930 8.121 ( 0.000 2.869 -11.580) 11.930 8.121 ( 0.000 -2.869 11.580) 11.930 8.121 ( 0.000 2.869 11.580) 11.930 8.325 ( 0.000 -1.257 -3.425) 3.649 8.325 ( 0.000 1.257 -3.425) 3.649 8.325 ( 0.000 -1.257 3.425) 3.649 8.325 ( 0.000 1.257 3.425) 3.649 8.775 ( 0.000 -3.801 -2.615) 4.614 8.775 ( 0.000 3.801 -2.615) 4.614 8.775 ( 0.000 -3.801 2.615) 4.614 8.775 ( 0.000 3.801 2.615) 4.614 9.026 ( 0.000 -0.935 -0.786) 1.222 9.026 ( 0.000 0.935 -0.786) 1.222 9.026 ( 0.000 -0.935 0.786) 1.222 9.026 ( 0.000 0.935 0.786) 1.222 9.860 ( 0.000 -1.398 -2.708) 3.048 9.860 ( 0.000 1.398 -2.708) 3.048 9.860 ( 0.000 -1.398 2.708) 3.048 9.860 ( 0.000 1.398 2.708) 3.048 10.061 ( 0.000 -2.218 -2.394) 3.264 10.061 ( 0.000 2.218 -2.394) 3.264 10.061 ( 0.000 -2.218 2.394) 3.264 10.061 ( 0.000 2.218 2.394) 3.264 10.611 ( 0.000 -3.665 -13.845) 14.322 10.611 ( 0.000 3.665 -13.845) 14.322 10.611 ( 0.000 -3.665 13.845) 14.322 10.611 ( 0.000 3.665 13.845) 14.322 10.862 ( 0.000 -0.147 -5.928) 5.930 10.862 ( 0.000 0.147 -5.928) 5.930 10.862 ( 0.000 -0.147 5.928) 5.930 10.862 ( 0.000 0.147 5.928) 5.930 12.499 ( 0.000 -1.031 -10.973) 11.021 12.499 ( 0.000 1.031 -10.973) 11.021 12.499 ( 0.000 -1.031 10.973) 11.021 12.499 ( 0.000 1.031 10.973) 11.021 12.943 ( 0.000 -1.118 -6.917) 7.006 12.943 ( 0.000 1.118 -6.917) 7.006 12.943 ( 0.000 -1.118 6.917) 7.006 12.943 ( 0.000 1.118 6.917) 7.007 13.309 ( 0.000 -1.370 -3.448) 3.711 13.309 ( 0.000 1.370 -3.448) 3.711 13.309 ( 0.000 -1.370 3.448) 3.711 13.309 ( 0.000 1.370 3.448) 3.711 13.680 ( 0.000 -2.495 -8.568) 8.924 13.680 ( 0.000 2.495 -8.568) 8.924 13.680 ( 0.000 -2.495 8.568) 8.924 13.680 ( 0.000 2.495 8.568) 8.924 14.490 ( 0.000 -1.761 -2.854) 3.353 14.490 ( 0.000 1.761 -2.854) 3.353 14.490 ( 0.000 -1.761 2.854) 3.353 14.490 ( 0.000 1.761 2.854) 3.353 14.558 ( 0.000 -6.003 -1.879) 6.290 14.558 ( 0.000 -6.003 1.879) 6.290 14.558 ( 0.000 6.003 -1.879) 6.290 14.558 ( 0.000 6.003 1.879) 6.290 14.743 ( 0.000 -1.653 -10.528) 10.657 14.743 ( 0.000 1.653 -10.528) 10.657 14.743 ( 0.000 -1.653 10.528) 10.657 14.743 ( 0.000 1.653 10.528) 10.657 15.349 ( 0.000 -7.566 -5.726) 9.488 15.349 ( 0.000 7.566 -5.726) 9.488 15.349 ( 0.000 -7.566 5.726) 9.488 15.349 ( 0.000 7.566 5.726) 9.488 16.079 ( 0.000 -1.322 -2.921) 3.206 16.079 ( 0.000 1.322 -2.921) 3.206 16.079 ( 0.000 -1.322 2.921) 3.206 16.079 ( 0.000 1.322 2.921) 3.206 16.964 ( 0.000 -6.223 -16.674) 17.797 16.964 ( 0.000 6.223 -16.674) 17.797 16.964 ( 0.000 -6.223 16.674) 17.797 16.964 ( 0.000 6.223 16.674) 17.797 17.842 ( 0.000 -4.092 -11.976) 12.656 17.842 ( 0.000 4.092 -11.976) 12.656 17.842 ( 0.000 -4.092 11.976) 12.656 17.842 ( 0.000 4.092 11.976) 12.656 19.163 ( 0.000 -8.992 -19.148) 21.154 19.163 ( 0.000 8.992 -19.148) 21.154 19.163 ( 0.000 -8.992 19.148) 21.154 19.163 ( 0.000 8.992 19.148) 21.154 20.342 ( 0.000 -0.013 -11.514) 11.514 20.342 ( 0.000 0.013 -11.514) 11.514 20.342 ( 0.000 -0.013 11.514) 11.514 20.342 ( 0.000 0.013 11.514) 11.514 21.518 ( 0.000 -4.592 -8.084) 9.297 21.518 ( 0.000 4.592 -8.084) 9.297 21.518 ( 0.000 -4.592 8.084) 9.297 21.518 ( 0.000 4.592 8.084) 9.297 22.305 ( 0.000 -2.492 -7.740) 8.131 22.305 ( 0.000 2.492 -7.740) 8.131 22.305 ( 0.000 -2.492 7.740) 8.131 22.305 ( 0.000 2.492 7.740) 8.131 23.050 ( 0.000 -4.338 -6.367) 7.704 23.050 ( 0.000 4.338 -6.367) 7.704 23.050 ( 0.000 -4.338 6.367) 7.704 23.050 ( 0.000 4.338 6.367) 7.704 ======================= Grid point 91 (36/36) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 2.251 0.000 -6.100) 6.502 2.498 ( 2.251 0.000 6.100) 6.502 2.557 ( 2.663 -0.000 -11.272) 11.582 2.557 ( 2.663 0.000 11.272) 11.582 2.568 ( -2.158 0.000 -6.023) 6.398 2.568 ( -2.158 0.000 6.023) 6.398 2.621 ( -1.608 0.000 -10.847) 10.966 2.621 ( -1.608 -0.000 10.847) 10.966 2.758 ( 1.618 -0.000 -3.474) 3.832 2.758 ( 1.618 -0.000 3.474) 3.832 2.759 ( 1.399 -0.000 -6.264) 6.418 2.759 ( 1.399 0.000 6.264) 6.418 2.905 ( -1.542 0.000 -5.478) 5.691 2.905 ( -1.542 0.000 5.478) 5.691 2.912 ( -1.903 -0.000 -0.429) 1.951 2.912 ( -1.903 0.000 0.429) 1.951 3.514 ( -0.955 0.000 -6.059) 6.134 3.514 ( -0.955 0.000 6.059) 6.134 3.522 ( -1.476 -0.000 -6.036) 6.214 3.522 ( -1.476 -0.000 6.036) 6.214 3.710 ( 1.550 -0.000 -1.382) 2.077 3.710 ( 1.550 0.000 1.383) 2.077 3.714 ( 1.190 -0.000 -3.294) 3.502 3.714 ( 1.190 0.000 3.294) 3.502 3.942 ( 0.647 0.000 -1.750) 1.866 3.942 ( 0.647 0.000 1.750) 1.866 3.966 ( -0.472 0.000 -1.402) 1.479 3.966 ( -0.472 0.000 1.402) 1.479 4.176 ( 1.116 0.000 -2.847) 3.058 4.176 ( 1.116 -0.000 2.848) 3.058 4.223 ( -1.308 0.000 -2.049) 2.431 4.223 ( -1.308 0.000 2.049) 2.431 4.390 ( 0.966 0.000 -3.292) 3.431 4.390 ( 0.966 0.000 3.292) 3.431 4.434 ( -1.515 0.000 -3.255) 3.590 4.434 ( -1.515 -0.000 3.255) 3.590 4.583 ( 0.738 0.000 -4.694) 4.751 4.583 ( 0.738 0.000 4.694) 4.751 4.623 ( -1.557 0.000 -5.351) 5.573 4.623 ( -1.557 0.000 5.351) 5.573 5.026 ( 3.038 0.000 -6.237) 6.938 5.026 ( 3.038 0.000 6.237) 6.938 5.057 ( 2.078 -0.000 -4.663) 5.105 5.057 ( 2.078 -0.000 4.663) 5.105 5.338 ( -2.139 0.000 -5.884) 6.261 5.338 ( -2.139 0.000 5.884) 6.261 5.388 ( -4.188 -0.000 -4.233) 5.955 5.388 ( -4.188 0.000 4.233) 5.955 5.711 ( 1.213 0.000 -3.437) 3.645 5.711 ( 1.213 0.000 3.437) 3.645 5.720 ( 0.764 0.000 -3.515) 3.597 5.720 ( 0.764 0.000 3.515) 3.597 5.990 ( -0.112 0.000 -7.538) 7.539 5.990 ( -0.112 0.000 7.538) 7.539 5.995 ( -0.614 -0.000 -7.062) 7.088 5.995 ( -0.614 0.000 7.062) 7.088 6.221 ( 0.262 0.000 -0.441) 0.513 6.221 ( 0.262 0.000 0.441) 0.513 6.259 ( -1.860 0.000 -1.150) 2.187 6.259 ( -1.860 0.000 1.150) 2.187 6.519 ( 0.716 0.000 -10.469) 10.494 6.519 ( 0.716 0.000 10.469) 10.494 6.556 ( -1.625 0.000 -16.497) 16.577 6.556 ( -1.625 -0.000 16.497) 16.577 6.726 ( -0.124 0.000 -6.003) 6.005 6.726 ( -0.124 0.000 6.003) 6.005 6.734 ( -1.266 -0.000 -1.282) 1.801 6.734 ( -1.265 0.000 1.282) 1.801 6.884 ( 6.495 0.000 -3.786) 7.518 6.884 ( 6.495 0.000 3.786) 7.518 6.968 ( 1.200 0.000 -3.556) 3.753 6.968 ( 1.200 0.000 3.556) 3.753 7.317 ( 0.768 0.000 -10.764) 10.792 7.317 ( 0.768 -0.000 10.764) 10.792 7.362 ( -0.654 0.000 -1.324) 1.477 7.362 ( -0.654 0.000 1.324) 1.477 7.427 ( -1.403 0.000 -8.416) 8.532 7.427 ( -1.403 0.000 8.416) 8.532 7.482 ( -4.102 0.000 -7.522) 8.567 7.482 ( -4.102 -0.000 7.522) 8.567 7.735 ( 2.293 0.000 -3.115) 3.868 7.735 ( 2.293 -0.000 3.115) 3.868 7.776 ( -0.442 0.000 -1.820) 1.873 7.776 ( -0.442 0.000 1.821) 1.873 8.114 ( 0.567 0.000 -8.729) 8.747 8.114 ( 0.567 -0.000 8.729) 8.747 8.130 ( -0.319 -0.000 -10.017) 10.022 8.130 ( -0.319 0.000 10.017) 10.022 8.324 ( 0.659 0.000 -3.243) 3.309 8.324 ( 0.659 0.000 3.243) 3.309 8.337 ( -0.055 0.000 -4.934) 4.934 8.337 ( -0.055 0.000 4.934) 4.934 8.771 ( 0.257 0.000 -4.652) 4.659 8.771 ( 0.257 -0.000 4.652) 4.659 8.780 ( -0.215 0.000 -4.233) 4.238 8.780 ( -0.215 -0.000 4.233) 4.238 9.019 ( -0.338 -0.331 -0.699) 0.844 9.019 ( -0.338 -0.196 -0.184) 0.432 9.019 ( -0.338 0.196 0.184) 0.432 9.019 ( -0.338 0.331 0.699) 0.844 9.865 ( 2.251 0.000 -1.982) 2.999 9.865 ( 2.251 0.000 1.982) 2.999 9.911 ( 0.679 0.000 -2.509) 2.599 9.911 ( 0.678 0.000 2.509) 2.599 10.013 ( -1.122 0.000 -2.968) 3.173 10.013 ( -1.122 0.000 2.968) 3.173 10.048 ( -2.114 0.000 -3.776) 4.328 10.048 ( -2.114 0.000 3.776) 4.328 10.601 ( -0.178 -0.000 -13.068) 13.069 10.601 ( -0.178 -0.000 13.068) 13.069 10.607 ( -0.517 0.000 -12.732) 12.743 10.607 ( -0.517 0.000 12.732) 12.743 10.875 ( 0.758 -0.000 -4.732) 4.793 10.875 ( 0.758 0.000 4.732) 4.793 10.877 ( 0.670 -0.000 -5.404) 5.445 10.877 ( 0.670 0.000 5.404) 5.445 12.495 ( 0.190 0.000 -11.490) 11.492 12.495 ( 0.190 0.000 11.490) 11.492 12.502 ( -0.182 0.000 -10.466) 10.467 12.502 ( -0.182 -0.000 10.466) 10.467 12.940 ( -0.151 0.000 -5.667) 5.669 12.940 ( -0.151 0.001 5.667) 5.669 12.941 ( -0.180 0.000 -4.606) 4.609 12.941 ( -0.180 -0.001 4.606) 4.609 13.304 ( 0.078 -0.000 -3.439) 3.440 13.304 ( 0.078 -0.000 3.439) 3.440 13.311 ( -0.272 0.000 -3.602) 3.613 13.311 ( -0.272 0.000 3.602) 3.613 13.678 ( 0.139 0.000 -8.780) 8.781 13.678 ( 0.139 -0.000 8.780) 8.781 13.683 ( -0.120 0.000 -7.762) 7.762 13.683 ( -0.120 0.000 7.762) 7.762 14.480 ( -0.289 -0.000 -2.311) 2.329 14.480 ( -0.289 0.000 2.311) 2.329 14.483 ( -0.568 0.000 -2.327) 2.395 14.483 ( -0.568 0.000 2.327) 2.395 14.559 ( 1.601 0.000 -3.194) 3.572 14.559 ( 1.601 -0.000 3.194) 3.573 14.588 ( -0.113 -0.000 -2.231) 2.234 14.588 ( -0.113 -0.000 2.231) 2.234 14.747 ( 0.559 0.000 -10.905) 10.920 14.747 ( 0.559 -0.000 10.905) 10.920 14.752 ( 0.243 -0.000 -11.178) 11.181 14.752 ( 0.243 0.000 11.179) 11.181 15.320 ( -0.221 -0.000 -8.049) 8.053 15.320 ( -0.221 -0.000 8.049) 8.053 15.345 ( -1.525 0.000 -7.511) 7.664 15.345 ( -1.525 0.000 7.511) 7.664 16.088 ( 1.078 0.000 -4.578) 4.703 16.088 ( 1.078 -0.000 4.578) 4.703 16.101 ( 0.448 0.000 -4.874) 4.895 16.101 ( 0.448 -0.000 4.874) 4.895 16.901 ( -0.256 0.000 -17.386) 17.387 16.901 ( -0.256 0.000 17.386) 17.387 16.958 ( -3.433 -0.000 -13.092) 13.534 16.958 ( -3.433 0.000 13.092) 13.534 17.875 ( 4.438 0.000 -8.731) 9.794 17.875 ( 4.438 0.000 8.731) 9.794 17.923 ( 1.795 0.000 -5.266) 5.564 17.923 ( 1.795 0.000 5.266) 5.564 19.111 ( -2.220 0.000 -18.085) 18.221 19.111 ( -2.220 -0.000 18.085) 18.221 19.122 ( -2.807 -0.000 -23.399) 23.566 19.122 ( -2.807 0.000 23.399) 23.566 20.349 ( 1.590 0.000 -10.084) 10.209 20.349 ( 1.590 0.000 10.084) 10.209 20.372 ( 0.333 0.000 -5.145) 5.156 20.372 ( 0.333 0.000 5.145) 5.156 21.481 ( 0.326 0.000 -8.869) 8.875 21.481 ( 0.326 0.000 8.869) 8.875 21.524 ( -1.984 -0.000 -8.210) 8.447 21.524 ( -1.984 0.000 8.210) 8.447 22.306 ( 1.493 0.000 -7.190) 7.343 22.306 ( 1.493 -0.000 7.190) 7.343 22.332 ( 0.079 0.000 -6.537) 6.538 22.332 ( 0.079 0.000 6.537) 6.538 23.044 ( 0.013 -0.000 -6.676) 6.676 23.044 ( 0.013 -0.000 6.676) 6.676 23.050 ( -0.301 0.000 -6.667) 6.673 23.050 ( -0.301 0.000 6.667) 6.673 =================== 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 3/21600 10.0 309.605 465.703 500.957 0.000 0.000 0.000 3/21600 20.0 96.246 95.140 171.957 0.000 0.000 0.000 3/21600 30.0 36.015 35.251 77.284 0.000 0.000 0.000 3/21600 40.0 18.467 18.606 43.564 0.000 0.000 0.000 3/21600 50.0 11.485 11.875 28.441 0.000 0.000 0.000 3/21600 60.0 8.052 8.469 20.479 0.000 0.000 0.000 3/21600 70.0 6.106 6.486 15.776 0.000 0.000 0.000 3/21600 80.0 4.884 5.215 12.750 0.000 0.000 0.000 3/21600 90.0 4.059 4.343 10.672 0.000 0.000 0.000 3/21600 100.0 3.469 3.714 9.171 0.000 0.000 0.000 3/21600 110.0 3.027 3.240 8.041 0.000 0.000 0.000 3/21600 120.0 2.686 2.872 7.163 0.000 0.000 0.000 3/21600 130.0 2.415 2.579 6.462 0.000 0.000 0.000 3/21600 140.0 2.195 2.341 5.891 0.000 0.000 0.000 3/21600 150.0 2.013 2.144 5.417 0.000 0.000 0.000 3/21600 160.0 1.859 1.977 5.016 0.000 0.000 0.000 3/21600 170.0 1.729 1.836 4.674 0.000 0.000 0.000 3/21600 180.0 1.616 1.714 4.377 0.000 0.000 0.000 3/21600 190.0 1.518 1.607 4.118 0.000 0.000 0.000 3/21600 200.0 1.431 1.514 3.890 0.000 0.000 0.000 3/21600 210.0 1.355 1.431 3.687 0.000 0.000 0.000 3/21600 220.0 1.286 1.357 3.505 0.000 0.000 0.000 3/21600 230.0 1.225 1.291 3.341 0.000 0.000 0.000 3/21600 240.0 1.170 1.231 3.193 0.000 0.000 0.000 3/21600 250.0 1.119 1.177 3.058 0.000 0.000 0.000 3/21600 260.0 1.073 1.127 2.934 0.000 0.000 0.000 3/21600 270.0 1.031 1.082 2.821 0.000 0.000 0.000 3/21600 280.0 0.992 1.040 2.716 0.000 0.000 0.000 3/21600 290.0 0.956 1.002 2.619 0.000 0.000 0.000 3/21600 300.0 0.923 0.966 2.529 0.000 0.000 0.000 3/21600 310.0 0.892 0.933 2.446 0.000 0.000 0.000 3/21600 320.0 0.864 0.902 2.368 0.000 0.000 0.000 3/21600 330.0 0.837 0.873 2.295 0.000 0.000 0.000 3/21600 340.0 0.811 0.846 2.226 0.000 0.000 0.000 3/21600 350.0 0.788 0.821 2.161 0.000 0.000 0.000 3/21600 360.0 0.765 0.797 2.101 0.000 0.000 0.000 3/21600 370.0 0.744 0.775 2.043 0.000 0.000 0.000 3/21600 380.0 0.724 0.753 1.989 0.000 0.000 0.000 3/21600 390.0 0.706 0.733 1.938 0.000 0.000 0.000 3/21600 400.0 0.688 0.714 1.889 0.000 0.000 0.000 3/21600 410.0 0.671 0.697 1.843 0.000 0.000 0.000 3/21600 420.0 0.655 0.679 1.799 0.000 0.000 0.000 3/21600 430.0 0.639 0.663 1.757 0.000 0.000 0.000 3/21600 440.0 0.625 0.648 1.717 0.000 0.000 0.000 3/21600 450.0 0.611 0.633 1.679 0.000 0.000 0.000 3/21600 460.0 0.597 0.619 1.642 0.000 0.000 0.000 3/21600 470.0 0.585 0.605 1.607 0.000 0.000 0.000 3/21600 480.0 0.572 0.593 1.574 0.000 0.000 0.000 3/21600 490.0 0.561 0.580 1.542 0.000 0.000 0.000 3/21600 500.0 0.549 0.568 1.511 0.000 0.000 0.000 3/21600 510.0 0.539 0.557 1.482 0.000 0.000 0.000 3/21600 520.0 0.528 0.546 1.453 0.000 0.000 0.000 3/21600 530.0 0.518 0.536 1.426 0.000 0.000 0.000 3/21600 540.0 0.509 0.526 1.400 0.000 0.000 0.000 3/21600 550.0 0.499 0.516 1.374 0.000 0.000 0.000 3/21600 560.0 0.490 0.507 1.350 0.000 0.000 0.000 3/21600 570.0 0.482 0.498 1.326 0.000 0.000 0.000 3/21600 580.0 0.474 0.489 1.303 0.000 0.000 0.000 3/21600 590.0 0.466 0.481 1.281 0.000 0.000 0.000 3/21600 600.0 0.458 0.472 1.260 0.000 0.000 0.000 3/21600 610.0 0.450 0.465 1.240 0.000 0.000 0.000 3/21600 620.0 0.443 0.457 1.220 0.000 0.000 0.000 3/21600 630.0 0.436 0.450 1.200 0.000 0.000 0.000 3/21600 640.0 0.429 0.443 1.182 0.000 0.000 0.000 3/21600 650.0 0.423 0.436 1.164 0.000 0.000 0.000 3/21600 660.0 0.416 0.429 1.146 0.000 0.000 0.000 3/21600 670.0 0.410 0.423 1.129 0.000 0.000 0.000 3/21600 680.0 0.404 0.416 1.113 0.000 0.000 0.000 3/21600 690.0 0.398 0.410 1.096 0.000 0.000 0.000 3/21600 700.0 0.393 0.404 1.081 0.000 0.000 0.000 3/21600 710.0 0.387 0.399 1.066 0.000 0.000 0.000 3/21600 720.0 0.382 0.393 1.051 0.000 0.000 0.000 3/21600 730.0 0.376 0.388 1.037 0.000 0.000 0.000 3/21600 740.0 0.371 0.382 1.023 0.000 0.000 0.000 3/21600 750.0 0.366 0.377 1.009 0.000 0.000 0.000 3/21600 760.0 0.362 0.372 0.996 0.000 0.000 0.000 3/21600 770.0 0.357 0.367 0.983 0.000 0.000 0.000 3/21600 780.0 0.352 0.363 0.971 0.000 0.000 0.000 3/21600 790.0 0.348 0.358 0.958 0.000 0.000 0.000 3/21600 800.0 0.344 0.354 0.946 0.000 0.000 0.000 3/21600 810.0 0.339 0.349 0.935 0.000 0.000 0.000 3/21600 820.0 0.335 0.345 0.923 0.000 0.000 0.000 3/21600 830.0 0.331 0.341 0.912 0.000 0.000 0.000 3/21600 840.0 0.327 0.337 0.902 0.000 0.000 0.000 3/21600 850.0 0.323 0.333 0.891 0.000 0.000 0.000 3/21600 860.0 0.320 0.329 0.881 0.000 0.000 0.000 3/21600 870.0 0.316 0.325 0.871 0.000 0.000 0.000 3/21600 880.0 0.312 0.321 0.861 0.000 0.000 0.000 3/21600 890.0 0.309 0.318 0.851 0.000 0.000 0.000 3/21600 900.0 0.306 0.314 0.842 0.000 0.000 0.000 3/21600 910.0 0.302 0.311 0.832 0.000 0.000 0.000 3/21600 920.0 0.299 0.307 0.823 0.000 0.000 0.000 3/21600 930.0 0.296 0.304 0.815 0.000 0.000 0.000 3/21600 940.0 0.293 0.301 0.806 0.000 0.000 0.000 3/21600 950.0 0.289 0.298 0.798 0.000 0.000 0.000 3/21600 960.0 0.286 0.294 0.789 0.000 0.000 0.000 3/21600 970.0 0.284 0.291 0.781 0.000 0.000 0.000 3/21600 980.0 0.281 0.288 0.773 0.000 0.000 0.000 3/21600 990.0 0.278 0.285 0.765 0.000 0.000 0.000 3/21600 1000.0 0.275 0.283 0.758 0.000 0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m3410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:26:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|