----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.047770750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737484850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.772555219999997 Atomic positions (fractional): *1 B 0.25704241217407 0.57935683220253 0.41962732811299 10.811 2 B 0.75704241217407 0.57935683220253 0.08037267188701 10.811 3 B 0.24295758782593 0.07935683220253 0.91962732811299 10.811 4 B 0.25704241217407 0.92064316779747 0.41962732811299 10.811 5 B 0.74295758782593 0.42064316779747 0.58037267188701 10.811 6 B 0.74295758782593 0.07935683220253 0.58037267188701 10.811 7 B 0.75704241217407 0.92064316779747 0.08037267188701 10.811 8 B 0.24295758782593 0.42064316779747 0.91962732811299 10.811 *9 O 0.31869728093380 0.25000000000000 0.93033345712481 15.999 10 O 0.18130271906620 0.75000000000000 0.43033345712481 15.999 11 O 0.81869728093380 0.25000000000000 0.56966654287519 15.999 12 O 0.68130271906620 0.75000000000000 0.06966654287519 15.999 *13 O 0.98427432268491 0.25000000000000 0.16226508812506 15.999 14 O 0.01572567731509 0.75000000000000 0.83773491187494 15.999 15 O 0.48427432268491 0.25000000000000 0.33773491187494 15.999 16 O 0.51572567731509 0.75000000000000 0.66226508812506 15.999 *17 O 0.89706400963865 0.92000781028795 0.18735344899677 15.999 18 O 0.10293599036135 0.42000781028795 0.81264655100323 15.999 19 O 0.39706400963865 0.57999218971205 0.31264655100323 15.999 20 O 0.60293599036135 0.07999218971205 0.68735344899677 15.999 *21 O 0.19283607913879 0.00149328666941 0.06734204301220 15.999 22 O 0.80716392086122 0.50149328666941 0.93265795698780 15.999 23 O 0.69283607913878 0.49850671333059 0.43265795698780 15.999 24 O 0.30716392086122 0.99850671333059 0.56734204301220 15.999 25 O 0.80716392086122 0.99850671333059 0.93265795698780 15.999 26 O 0.19283607913879 0.49850671333059 0.06734204301220 15.999 27 O 0.30716392086122 0.50149328666941 0.56734204301220 15.999 28 O 0.69283607913878 0.00149328666941 0.43265795698780 15.999 *29 O 0.12489737367196 0.04281513216000 0.36611367082534 15.999 30 O 0.87510262632804 0.54281513215999 0.63388632917466 15.999 31 O 0.62489737367196 0.45718486784001 0.13388632917466 15.999 32 O 0.37510262632804 0.95718486784001 0.86611367082534 15.999 33 O 0.87510262632804 0.95718486784001 0.63388632917466 15.999 34 O 0.12489737367196 0.45718486784001 0.36611367082534 15.999 35 O 0.37510262632804 0.54281513215999 0.86611367082534 15.999 36 O 0.62489737367196 0.04281513216000 0.13388632917466 15.999 37 O 0.39706400963865 0.92000781028795 0.31264655100323 15.999 38 O 0.60293599036135 0.42000781028795 0.68735344899677 15.999 39 O 0.89706400963865 0.57999218971205 0.18735344899677 15.999 40 O 0.10293599036135 0.07999218971205 0.81264655100323 15.999 *41 Si 0.55195209464830 0.05492274389143 0.30773754476180 28.085 42 Si 0.44804790535170 0.55492274389143 0.69226245523820 28.085 43 Si 0.05195209464830 0.44507725610857 0.19226245523820 28.085 44 Si 0.94804790535170 0.94507725610857 0.80773754476180 28.085 45 Si 0.44804790535170 0.94507725610857 0.69226245523820 28.085 46 Si 0.55195209464830 0.44507725610857 0.30773754476180 28.085 47 Si 0.94804790535170 0.55492274389143 0.80773754476180 28.085 48 Si 0.05195209464830 0.05492274389143 0.19226245523820 28.085 *49 Ca 0.11487878185543 0.25000000000000 0.57643994157345 40.078 50 Ca 0.88512121814457 0.75000000000000 0.42356005842655 40.078 51 Ca 0.61487878185543 0.25000000000000 0.92356005842655 40.078 52 Ca 0.38512121814457 0.75000000000000 0.07643994157345 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.047770750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737484850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.772555219999997 Atomic positions (fractional): *1 B 0.25704241217407 0.57935683220253 0.41962732811299 10.811 > 1 2 B 0.75704241217407 0.57935683220253 0.08037267188701 10.811 > 2 3 B 0.24295758782593 0.07935683220253 0.91962732811299 10.811 > 3 4 B 0.25704241217407 0.92064316779747 0.41962732811299 10.811 > 4 5 B 0.74295758782593 0.42064316779747 0.58037267188701 10.811 > 5 6 B 0.74295758782593 0.07935683220253 0.58037267188701 10.811 > 6 7 B 0.75704241217407 0.92064316779747 0.08037267188701 10.811 > 7 8 B 0.24295758782593 0.42064316779747 0.91962732811299 10.811 > 8 *9 O 0.31869728093380 0.25000000000000 0.93033345712481 15.999 > 9 10 O 0.18130271906620 0.75000000000000 0.43033345712481 15.999 > 10 11 O 0.81869728093380 0.25000000000000 0.56966654287519 15.999 > 11 12 O 0.68130271906620 0.75000000000000 0.06966654287519 15.999 > 12 *13 O 0.98427432268491 0.25000000000000 0.16226508812506 15.999 > 13 14 O 0.01572567731509 0.75000000000000 0.83773491187494 15.999 > 14 15 O 0.48427432268491 0.25000000000000 0.33773491187494 15.999 > 15 16 O 0.51572567731509 0.75000000000000 0.66226508812506 15.999 > 16 *17 O 0.89706400963865 0.92000781028795 0.18735344899677 15.999 > 17 18 O 0.10293599036135 0.42000781028795 0.81264655100323 15.999 > 18 19 O 0.39706400963865 0.57999218971205 0.31264655100323 15.999 > 19 20 O 0.60293599036135 0.07999218971205 0.68735344899677 15.999 > 20 *21 O 0.19283607913879 0.00149328666941 0.06734204301220 15.999 > 21 22 O 0.80716392086122 0.50149328666941 0.93265795698780 15.999 > 22 23 O 0.69283607913878 0.49850671333059 0.43265795698780 15.999 > 23 24 O 0.30716392086122 0.99850671333059 0.56734204301220 15.999 > 24 25 O 0.80716392086122 0.99850671333059 0.93265795698780 15.999 > 25 26 O 0.19283607913879 0.49850671333059 0.06734204301220 15.999 > 26 27 O 0.30716392086122 0.50149328666941 0.56734204301220 15.999 > 27 28 O 0.69283607913878 0.00149328666941 0.43265795698780 15.999 > 28 *29 O 0.12489737367196 0.04281513216000 0.36611367082534 15.999 > 29 30 O 0.87510262632804 0.54281513215999 0.63388632917466 15.999 > 30 31 O 0.62489737367196 0.45718486784001 0.13388632917466 15.999 > 31 32 O 0.37510262632804 0.95718486784001 0.86611367082534 15.999 > 32 33 O 0.87510262632804 0.95718486784001 0.63388632917466 15.999 > 33 34 O 0.12489737367196 0.45718486784001 0.36611367082534 15.999 > 34 35 O 0.37510262632804 0.54281513215999 0.86611367082534 15.999 > 35 36 O 0.62489737367196 0.04281513216000 0.13388632917466 15.999 > 36 37 O 0.39706400963865 0.92000781028795 0.31264655100323 15.999 > 37 38 O 0.60293599036135 0.42000781028795 0.68735344899677 15.999 > 38 39 O 0.89706400963865 0.57999218971205 0.18735344899677 15.999 > 39 40 O 0.10293599036135 0.07999218971205 0.81264655100323 15.999 > 40 *41 Si 0.55195209464830 0.05492274389143 0.30773754476180 28.085 > 41 42 Si 0.44804790535170 0.55492274389143 0.69226245523820 28.085 > 42 43 Si 0.05195209464830 0.44507725610857 0.19226245523820 28.085 > 43 44 Si 0.94804790535170 0.94507725610857 0.80773754476180 28.085 > 44 45 Si 0.44804790535170 0.94507725610857 0.69226245523820 28.085 > 45 46 Si 0.55195209464830 0.44507725610857 0.30773754476180 28.085 > 46 47 Si 0.94804790535170 0.55492274389143 0.80773754476180 28.085 > 47 48 Si 0.05195209464830 0.05492274389143 0.19226245523820 28.085 > 48 *49 Ca 0.11487878185543 0.25000000000000 0.57643994157345 40.078 > 49 50 Ca 0.88512121814457 0.75000000000000 0.42356005842655 40.078 > 50 51 Ca 0.61487878185543 0.25000000000000 0.92356005842655 40.078 > 51 52 Ca 0.38512121814457 0.75000000000000 0.07643994157345 40.078 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.047770750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.474969700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.772555219999997 Atomic positions (fractional): *1 B 0.25704241217407 0.28967841610126 0.41962732811299 10.811 > 1 2 B 0.25704241217407 0.78967841610126 0.41962732811299 10.811 > 1 3 B 0.75704241217407 0.28967841610126 0.08037267188701 10.811 > 2 4 B 0.75704241217407 0.78967841610126 0.08037267188701 10.811 > 2 5 B 0.24295758782593 0.03967841610126 0.91962732811299 10.811 > 3 6 B 0.24295758782593 0.53967841610126 0.91962732811299 10.811 > 3 7 B 0.25704241217407 0.46032158389874 0.41962732811299 10.811 > 4 8 B 0.25704241217407 0.96032158389874 0.41962732811299 10.811 > 4 9 B 0.74295758782593 0.21032158389874 0.58037267188701 10.811 > 5 10 B 0.74295758782593 0.71032158389874 0.58037267188701 10.811 > 5 11 B 0.74295758782593 0.03967841610126 0.58037267188701 10.811 > 6 12 B 0.74295758782593 0.53967841610126 0.58037267188701 10.811 > 6 13 B 0.75704241217407 0.46032158389874 0.08037267188701 10.811 > 7 14 B 0.75704241217407 0.96032158389874 0.08037267188701 10.811 > 7 15 B 0.24295758782593 0.21032158389874 0.91962732811299 10.811 > 8 16 B 0.24295758782593 0.71032158389874 0.91962732811299 10.811 > 8 *17 O 0.31869728093380 0.12500000000000 0.93033345712481 15.999 > 9 18 O 0.31869728093380 0.62500000000000 0.93033345712481 15.999 > 9 19 O 0.18130271906620 0.37500000000000 0.43033345712481 15.999 > 10 20 O 0.18130271906620 0.87500000000000 0.43033345712481 15.999 > 10 21 O 0.81869728093380 0.12500000000000 0.56966654287519 15.999 > 11 22 O 0.81869728093380 0.62500000000000 0.56966654287519 15.999 > 11 23 O 0.68130271906620 0.37500000000000 0.06966654287519 15.999 > 12 24 O 0.68130271906620 0.87500000000000 0.06966654287519 15.999 > 12 *25 O 0.98427432268491 0.12500000000000 0.16226508812506 15.999 > 13 26 O 0.98427432268491 0.62500000000000 0.16226508812506 15.999 > 13 27 O 0.01572567731509 0.37500000000000 0.83773491187494 15.999 > 14 28 O 0.01572567731509 0.87500000000000 0.83773491187494 15.999 > 14 29 O 0.48427432268491 0.12500000000000 0.33773491187494 15.999 > 15 30 O 0.48427432268491 0.62500000000000 0.33773491187494 15.999 > 15 31 O 0.51572567731509 0.37500000000000 0.66226508812506 15.999 > 16 32 O 0.51572567731509 0.87500000000000 0.66226508812506 15.999 > 16 *33 O 0.89706400963865 0.46000390514397 0.18735344899677 15.999 > 17 34 O 0.89706400963865 0.96000390514397 0.18735344899677 15.999 > 17 35 O 0.10293599036135 0.21000390514397 0.81264655100323 15.999 > 18 36 O 0.10293599036135 0.71000390514397 0.81264655100323 15.999 > 18 37 O 0.39706400963865 0.28999609485603 0.31264655100323 15.999 > 19 38 O 0.39706400963865 0.78999609485603 0.31264655100323 15.999 > 19 39 O 0.60293599036135 0.03999609485603 0.68735344899677 15.999 > 20 40 O 0.60293599036135 0.53999609485603 0.68735344899677 15.999 > 20 *41 O 0.19283607913879 0.00074664333471 0.06734204301220 15.999 > 21 42 O 0.19283607913879 0.50074664333471 0.06734204301220 15.999 > 21 43 O 0.80716392086122 0.25074664333471 0.93265795698780 15.999 > 22 44 O 0.80716392086122 0.75074664333471 0.93265795698780 15.999 > 22 45 O 0.69283607913878 0.24925335666529 0.43265795698780 15.999 > 23 46 O 0.69283607913878 0.74925335666529 0.43265795698780 15.999 > 23 47 O 0.30716392086122 0.49925335666529 0.56734204301220 15.999 > 24 48 O 0.30716392086122 0.99925335666529 0.56734204301220 15.999 > 24 49 O 0.80716392086122 0.49925335666529 0.93265795698780 15.999 > 25 50 O 0.80716392086122 0.99925335666529 0.93265795698780 15.999 > 25 51 O 0.19283607913879 0.24925335666529 0.06734204301220 15.999 > 26 52 O 0.19283607913879 0.74925335666529 0.06734204301220 15.999 > 26 53 O 0.30716392086122 0.25074664333471 0.56734204301220 15.999 > 27 54 O 0.30716392086122 0.75074664333471 0.56734204301220 15.999 > 27 55 O 0.69283607913878 0.00074664333471 0.43265795698780 15.999 > 28 56 O 0.69283607913878 0.50074664333471 0.43265795698780 15.999 > 28 *57 O 0.12489737367196 0.02140756608000 0.36611367082534 15.999 > 29 58 O 0.12489737367196 0.52140756608000 0.36611367082534 15.999 > 29 59 O 0.87510262632804 0.27140756608000 0.63388632917466 15.999 > 30 60 O 0.87510262632804 0.77140756608000 0.63388632917466 15.999 > 30 61 O 0.62489737367196 0.22859243392000 0.13388632917466 15.999 > 31 62 O 0.62489737367196 0.72859243392000 0.13388632917466 15.999 > 31 63 O 0.37510262632804 0.47859243392000 0.86611367082534 15.999 > 32 64 O 0.37510262632804 0.97859243392000 0.86611367082534 15.999 > 32 65 O 0.87510262632804 0.47859243392000 0.63388632917466 15.999 > 33 66 O 0.87510262632804 0.97859243392000 0.63388632917466 15.999 > 33 67 O 0.12489737367196 0.22859243392000 0.36611367082534 15.999 > 34 68 O 0.12489737367196 0.72859243392000 0.36611367082534 15.999 > 34 69 O 0.37510262632804 0.27140756608000 0.86611367082534 15.999 > 35 70 O 0.37510262632804 0.77140756608000 0.86611367082534 15.999 > 35 71 O 0.62489737367196 0.02140756608000 0.13388632917466 15.999 > 36 72 O 0.62489737367196 0.52140756608000 0.13388632917466 15.999 > 36 73 O 0.39706400963865 0.46000390514397 0.31264655100323 15.999 > 37 74 O 0.39706400963865 0.96000390514397 0.31264655100323 15.999 > 37 75 O 0.60293599036135 0.21000390514397 0.68735344899677 15.999 > 38 76 O 0.60293599036135 0.71000390514397 0.68735344899677 15.999 > 38 77 O 0.89706400963865 0.28999609485603 0.18735344899677 15.999 > 39 78 O 0.89706400963865 0.78999609485603 0.18735344899677 15.999 > 39 79 O 0.10293599036135 0.03999609485603 0.81264655100323 15.999 > 40 80 O 0.10293599036135 0.53999609485603 0.81264655100323 15.999 > 40 *81 Si 0.55195209464830 0.02746137194571 0.30773754476180 28.085 > 41 82 Si 0.55195209464830 0.52746137194571 0.30773754476180 28.085 > 41 83 Si 0.44804790535170 0.27746137194571 0.69226245523820 28.085 > 42 84 Si 0.44804790535170 0.77746137194571 0.69226245523820 28.085 > 42 85 Si 0.05195209464830 0.22253862805429 0.19226245523820 28.085 > 43 86 Si 0.05195209464830 0.72253862805429 0.19226245523820 28.085 > 43 87 Si 0.94804790535170 0.47253862805429 0.80773754476180 28.085 > 44 88 Si 0.94804790535170 0.97253862805429 0.80773754476180 28.085 > 44 89 Si 0.44804790535170 0.47253862805429 0.69226245523820 28.085 > 45 90 Si 0.44804790535170 0.97253862805429 0.69226245523820 28.085 > 45 91 Si 0.55195209464830 0.22253862805429 0.30773754476180 28.085 > 46 92 Si 0.55195209464830 0.72253862805429 0.30773754476180 28.085 > 46 93 Si 0.94804790535170 0.27746137194571 0.80773754476180 28.085 > 47 94 Si 0.94804790535170 0.77746137194571 0.80773754476180 28.085 > 47 95 Si 0.05195209464830 0.02746137194571 0.19226245523820 28.085 > 48 96 Si 0.05195209464830 0.52746137194571 0.19226245523820 28.085 > 48 *97 Ca 0.11487878185543 0.12500000000000 0.57643994157345 40.078 > 49 98 Ca 0.11487878185543 0.62500000000000 0.57643994157345 40.078 > 49 99 Ca 0.88512121814457 0.37500000000000 0.42356005842655 40.078 > 50 100 Ca 0.88512121814457 0.87500000000000 0.42356005842655 40.078 > 50 101 Ca 0.61487878185543 0.12500000000000 0.92356005842655 40.078 > 51 102 Ca 0.61487878185543 0.62500000000000 0.92356005842655 40.078 > 51 103 Ca 0.38512121814457 0.37500000000000 0.07643994157345 40.078 > 52 104 Ca 0.38512121814457 0.87500000000000 0.07643994157345 40.078 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8546972 0.0000000 0.0000000 0.0000000 2.8639079 0.0000000 0.0000000 0.0000000 2.8705261 -------------------------- Born effective charges -------------------------- 1 B 2.5572433 -0.0301030 -0.0095829 -0.1900111 2.4996880 0.0911974 0.1932803 -0.0754848 2.4573063 2 B 2.5572433 -0.0301030 0.0095829 -0.1900111 2.4996880 -0.0911974 -0.1932803 0.0754848 2.4573063 3 B 2.5572433 0.0301030 0.0095829 0.1900111 2.4996880 0.0911974 -0.1932803 -0.0754848 2.4573063 4 B 2.5572433 0.0301030 -0.0095829 0.1900111 2.4996880 -0.0911974 0.1932803 0.0754848 2.4573063 5 B 2.5572433 -0.0301030 -0.0095829 -0.1900111 2.4996880 0.0911974 0.1932803 -0.0754848 2.4573063 6 B 2.5572433 0.0301030 -0.0095829 0.1900111 2.4996880 -0.0911974 0.1932803 0.0754848 2.4573063 7 B 2.5572433 0.0301030 0.0095829 0.1900111 2.4996880 0.0911974 -0.1932803 -0.0754848 2.4573063 8 B 2.5572433 -0.0301030 0.0095829 -0.1900111 2.4996880 -0.0911974 -0.1932803 0.0754848 2.4573063 9 O -1.6359064 0.0000000 -0.0181675 0.0000000 -2.5756659 0.0000000 0.0402601 0.0000000 -1.0535917 10 O -1.6359064 0.0000000 0.0181675 0.0000000 -2.5756659 0.0000000 -0.0402601 0.0000000 -1.0535917 11 O -1.6359064 0.0000000 0.0181675 0.0000000 -2.5756659 0.0000000 -0.0402601 0.0000000 -1.0535917 12 O -1.6359064 0.0000000 -0.0181675 0.0000000 -2.5756659 0.0000000 0.0402601 0.0000000 -1.0535917 13 O -1.1831057 0.0000000 -0.0421615 0.0000000 -2.7837821 0.0000000 -0.0121042 0.0000000 -1.1246606 14 O -1.1831057 0.0000000 -0.0421615 0.0000000 -2.7837821 0.0000000 -0.0121042 0.0000000 -1.1246606 15 O -1.1831057 0.0000000 0.0421615 0.0000000 -2.7837821 0.0000000 0.0121042 0.0000000 -1.1246606 16 O -1.1831057 0.0000000 0.0421615 0.0000000 -2.7837821 0.0000000 0.0121042 0.0000000 -1.1246606 17 O -2.1523163 -0.4600081 -0.5130018 -0.4404015 -1.3967341 0.0583333 -0.3972316 0.0855762 -1.6588625 18 O -2.1523163 0.4600081 -0.5130018 0.4404015 -1.3967341 -0.0583333 -0.3972316 -0.0855762 -1.6588625 19 O -2.1523163 0.4600081 0.5130018 0.4404015 -1.3967341 0.0583333 0.3972316 0.0855762 -1.6588625 20 O -2.1523163 -0.4600081 0.5130018 -0.4404015 -1.3967341 -0.0583333 0.3972316 -0.0855762 -1.6588625 21 O -1.6390263 0.1394629 0.4997451 0.1337216 -1.3582703 0.1795375 0.5997100 0.1880659 -2.2904537 22 O -1.6390263 -0.1394629 0.4997451 -0.1337216 -1.3582703 -0.1795375 0.5997100 -0.1880659 -2.2904537 23 O -1.6390263 -0.1394629 -0.4997451 -0.1337216 -1.3582703 0.1795375 -0.5997100 0.1880659 -2.2904537 24 O -1.6390263 0.1394629 -0.4997451 0.1337216 -1.3582703 -0.1795375 -0.5997100 -0.1880659 -2.2904537 25 O -1.6390263 0.1394629 0.4997451 0.1337216 -1.3582703 0.1795375 0.5997100 0.1880659 -2.2904537 26 O -1.6390263 -0.1394629 0.4997451 -0.1337216 -1.3582703 -0.1795375 0.5997100 -0.1880659 -2.2904537 27 O -1.6390263 -0.1394629 -0.4997451 -0.1337216 -1.3582703 0.1795375 -0.5997100 0.1880659 -2.2904537 28 O -1.6390263 0.1394629 -0.4997451 0.1337216 -1.3582703 -0.1795375 -0.5997100 -0.1880659 -2.2904537 29 O -1.6962749 0.3895998 -0.4719621 0.3646453 -1.5691741 0.1938191 -0.4648877 0.1284472 -2.0057728 30 O -1.6962749 -0.3895998 -0.4719621 -0.3646453 -1.5691741 -0.1938191 -0.4648877 -0.1284472 -2.0057728 31 O -1.6962749 -0.3895998 0.4719621 -0.3646453 -1.5691741 0.1938191 0.4648877 0.1284472 -2.0057728 32 O -1.6962749 0.3895998 0.4719621 0.3646453 -1.5691741 -0.1938191 0.4648877 -0.1284472 -2.0057728 33 O -1.6962749 0.3895998 -0.4719621 0.3646453 -1.5691741 0.1938191 -0.4648877 0.1284472 -2.0057728 34 O -1.6962749 -0.3895998 -0.4719621 -0.3646453 -1.5691741 -0.1938191 -0.4648877 -0.1284472 -2.0057728 35 O -1.6962749 -0.3895998 0.4719621 -0.3646453 -1.5691741 0.1938191 0.4648877 0.1284472 -2.0057728 36 O -1.6962749 0.3895998 0.4719621 0.3646453 -1.5691741 -0.1938191 0.4648877 -0.1284472 -2.0057728 37 O -2.1523163 -0.4600081 0.5130018 -0.4404015 -1.3967341 -0.0583333 0.3972316 -0.0855762 -1.6588625 38 O -2.1523163 0.4600081 0.5130018 0.4404015 -1.3967341 0.0583333 0.3972316 0.0855762 -1.6588625 39 O -2.1523163 0.4600081 -0.5130018 0.4404015 -1.3967341 -0.0583333 -0.3972316 -0.0855762 -1.6588625 40 O -2.1523163 -0.4600081 -0.5130018 -0.4404015 -1.3967341 0.0583333 -0.3972316 0.0855762 -1.6588625 41 Si 3.1437598 0.2631191 -0.1245490 -0.0396106 3.1879004 0.1925596 0.0602927 -0.0657159 3.3075493 42 Si 3.1437598 -0.2631191 -0.1245490 0.0396106 3.1879004 -0.1925596 0.0602927 0.0657159 3.3075493 43 Si 3.1437598 -0.2631191 0.1245490 0.0396106 3.1879004 0.1925596 -0.0602927 -0.0657159 3.3075493 44 Si 3.1437598 0.2631191 0.1245490 -0.0396106 3.1879004 -0.1925596 -0.0602927 0.0657159 3.3075493 45 Si 3.1437598 0.2631191 -0.1245490 -0.0396106 3.1879004 0.1925596 0.0602927 -0.0657159 3.3075493 46 Si 3.1437598 -0.2631191 -0.1245490 0.0396106 3.1879004 -0.1925596 0.0602927 0.0657159 3.3075493 47 Si 3.1437598 -0.2631191 0.1245490 0.0396106 3.1879004 0.1925596 -0.0602927 -0.0657159 3.3075493 48 Si 3.1437598 0.2631191 0.1245490 -0.0396106 3.1879004 -0.1925596 -0.0602927 0.0657159 3.3075493 49 Ca 2.3922409 0.0000000 -0.1684903 0.0000000 2.6326280 0.0000000 -0.1089100 0.0000000 2.5587190 50 Ca 2.3922409 0.0000000 -0.1684903 0.0000000 2.6326280 0.0000000 -0.1089100 0.0000000 2.5587190 51 Ca 2.3922409 0.0000000 0.1684903 0.0000000 2.6326280 0.0000000 0.1089100 0.0000000 2.5587190 52 Ca 2.3922409 0.0000000 0.1684903 0.0000000 2.6326280 0.0000000 0.1089100 0.0000000 2.5587190 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (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: 694 / 694 (1) 181 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 149 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 150 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3108), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (658, 648), data: False |-- (658, 8), data: (658, 18) @ (18, 8) |-- (158, 150), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (658, 648), data: False |-- (658, 9), data: (658, 19) @ (19, 9) |-- (158, 149), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (694, 678), data: False |-- (694, 13), data: (694, 29) @ (29, 13) |-- (194, 181), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 0.810 Solver_block: 200 / 800 - Time: 0.714 Solver_block: 300 / 800 - Time: 0.729 Solver_block: 400 / 800 - Time: 0.730 Solver_block: 500 / 800 - Time: 0.729 Solver_block: 600 / 800 - Time: 0.730 Solver_block: 700 / 800 - Time: 0.727 Solver_block: 800 / 800 - Time: 0.726 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.020 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (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: 694 / 694 (1) 181 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 149 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 150 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3108), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (658, 648), data: False |-- (658, 8), data: (658, 18) @ (18, 8) |-- (158, 150), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (658, 648), data: False |-- (658, 9), data: (658, 19) @ (19, 9) |-- (158, 149), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (694, 678), data: False |-- (694, 13), data: (694, 29) @ (29, 13) |-- (194, 181), 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:37:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:37:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.047770750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737484850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.772555219999997 Atomic positions (fractional): 1 B 0.25704241217407 0.57935683220253 0.41962732811299 10.811 2 B 0.75704241217407 0.57935683220253 0.08037267188701 10.811 3 B 0.24295758782593 0.07935683220253 0.91962732811299 10.811 4 B 0.25704241217407 0.92064316779747 0.41962732811299 10.811 5 B 0.74295758782593 0.42064316779747 0.58037267188701 10.811 6 B 0.74295758782593 0.07935683220253 0.58037267188701 10.811 7 B 0.75704241217407 0.92064316779747 0.08037267188701 10.811 8 B 0.24295758782593 0.42064316779747 0.91962732811299 10.811 9 O 0.31869728093380 0.25000000000000 0.93033345712481 15.999 10 O 0.18130271906620 0.75000000000000 0.43033345712481 15.999 11 O 0.81869728093380 0.25000000000000 0.56966654287519 15.999 12 O 0.68130271906620 0.75000000000000 0.06966654287519 15.999 13 O 0.98427432268491 0.25000000000000 0.16226508812506 15.999 14 O 0.01572567731509 0.75000000000000 0.83773491187494 15.999 15 O 0.48427432268491 0.25000000000000 0.33773491187494 15.999 16 O 0.51572567731509 0.75000000000000 0.66226508812506 15.999 17 O 0.89706400963865 0.92000781028795 0.18735344899677 15.999 18 O 0.10293599036135 0.42000781028795 0.81264655100323 15.999 19 O 0.39706400963865 0.57999218971205 0.31264655100323 15.999 20 O 0.60293599036135 0.07999218971205 0.68735344899677 15.999 21 O 0.19283607913879 0.00149328666941 0.06734204301220 15.999 22 O 0.80716392086122 0.50149328666941 0.93265795698780 15.999 23 O 0.69283607913878 0.49850671333059 0.43265795698780 15.999 24 O 0.30716392086122 0.99850671333059 0.56734204301220 15.999 25 O 0.80716392086122 0.99850671333059 0.93265795698780 15.999 26 O 0.19283607913879 0.49850671333059 0.06734204301220 15.999 27 O 0.30716392086122 0.50149328666941 0.56734204301220 15.999 28 O 0.69283607913878 0.00149328666941 0.43265795698780 15.999 29 O 0.12489737367196 0.04281513216000 0.36611367082534 15.999 30 O 0.87510262632804 0.54281513215999 0.63388632917466 15.999 31 O 0.62489737367196 0.45718486784001 0.13388632917466 15.999 32 O 0.37510262632804 0.95718486784001 0.86611367082534 15.999 33 O 0.87510262632804 0.95718486784001 0.63388632917466 15.999 34 O 0.12489737367196 0.45718486784001 0.36611367082534 15.999 35 O 0.37510262632804 0.54281513215999 0.86611367082534 15.999 36 O 0.62489737367196 0.04281513216000 0.13388632917466 15.999 37 O 0.39706400963865 0.92000781028795 0.31264655100323 15.999 38 O 0.60293599036135 0.42000781028795 0.68735344899677 15.999 39 O 0.89706400963865 0.57999218971205 0.18735344899677 15.999 40 O 0.10293599036135 0.07999218971205 0.81264655100323 15.999 41 Si 0.55195209464830 0.05492274389143 0.30773754476180 28.085 42 Si 0.44804790535170 0.55492274389143 0.69226245523820 28.085 43 Si 0.05195209464830 0.44507725610857 0.19226245523820 28.085 44 Si 0.94804790535170 0.94507725610857 0.80773754476180 28.085 45 Si 0.44804790535170 0.94507725610857 0.69226245523820 28.085 46 Si 0.55195209464830 0.44507725610857 0.30773754476180 28.085 47 Si 0.94804790535170 0.55492274389143 0.80773754476180 28.085 48 Si 0.05195209464830 0.05492274389143 0.19226245523820 28.085 49 Ca 0.11487878185543 0.25000000000000 0.57643994157345 40.078 50 Ca 0.88512121814457 0.75000000000000 0.42356005842655 40.078 51 Ca 0.61487878185543 0.25000000000000 0.92356005842655 40.078 52 Ca 0.38512121814457 0.75000000000000 0.07643994157345 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.047770750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.474969700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.772555219999997 Atomic positions (fractional): 1 B 0.25704241217407 0.28967841610126 0.41962732811299 10.811 > 1 2 B 0.25704241217407 0.78967841610126 0.41962732811299 10.811 > 1 3 B 0.75704241217407 0.28967841610126 0.08037267188701 10.811 > 3 4 B 0.75704241217407 0.78967841610126 0.08037267188701 10.811 > 3 5 B 0.24295758782593 0.03967841610126 0.91962732811299 10.811 > 5 6 B 0.24295758782593 0.53967841610126 0.91962732811299 10.811 > 5 7 B 0.25704241217407 0.46032158389874 0.41962732811299 10.811 > 7 8 B 0.25704241217407 0.96032158389874 0.41962732811299 10.811 > 7 9 B 0.74295758782593 0.21032158389874 0.58037267188701 10.811 > 9 10 B 0.74295758782593 0.71032158389874 0.58037267188701 10.811 > 9 11 B 0.74295758782593 0.03967841610126 0.58037267188701 10.811 > 11 12 B 0.74295758782593 0.53967841610126 0.58037267188701 10.811 > 11 13 B 0.75704241217407 0.46032158389874 0.08037267188701 10.811 > 13 14 B 0.75704241217407 0.96032158389874 0.08037267188701 10.811 > 13 15 B 0.24295758782593 0.21032158389874 0.91962732811299 10.811 > 15 16 B 0.24295758782593 0.71032158389874 0.91962732811299 10.811 > 15 17 O 0.31869728093380 0.12500000000000 0.93033345712481 15.999 > 17 18 O 0.31869728093380 0.62500000000000 0.93033345712481 15.999 > 17 19 O 0.18130271906620 0.37500000000000 0.43033345712481 15.999 > 19 20 O 0.18130271906620 0.87500000000000 0.43033345712481 15.999 > 19 21 O 0.81869728093380 0.12500000000000 0.56966654287519 15.999 > 21 22 O 0.81869728093380 0.62500000000000 0.56966654287519 15.999 > 21 23 O 0.68130271906620 0.37500000000000 0.06966654287519 15.999 > 23 24 O 0.68130271906620 0.87500000000000 0.06966654287519 15.999 > 23 25 O 0.98427432268491 0.12500000000000 0.16226508812506 15.999 > 25 26 O 0.98427432268491 0.62500000000000 0.16226508812506 15.999 > 25 27 O 0.01572567731509 0.37500000000000 0.83773491187494 15.999 > 27 28 O 0.01572567731509 0.87500000000000 0.83773491187494 15.999 > 27 29 O 0.48427432268491 0.12500000000000 0.33773491187494 15.999 > 29 30 O 0.48427432268491 0.62500000000000 0.33773491187494 15.999 > 29 31 O 0.51572567731509 0.37500000000000 0.66226508812506 15.999 > 31 32 O 0.51572567731509 0.87500000000000 0.66226508812506 15.999 > 31 33 O 0.89706400963865 0.46000390514397 0.18735344899677 15.999 > 33 34 O 0.89706400963865 0.96000390514397 0.18735344899677 15.999 > 33 35 O 0.10293599036135 0.21000390514397 0.81264655100323 15.999 > 35 36 O 0.10293599036135 0.71000390514397 0.81264655100323 15.999 > 35 37 O 0.39706400963865 0.28999609485603 0.31264655100323 15.999 > 37 38 O 0.39706400963865 0.78999609485603 0.31264655100323 15.999 > 37 39 O 0.60293599036135 0.03999609485603 0.68735344899677 15.999 > 39 40 O 0.60293599036135 0.53999609485603 0.68735344899677 15.999 > 39 41 O 0.19283607913879 0.00074664333471 0.06734204301220 15.999 > 41 42 O 0.19283607913879 0.50074664333471 0.06734204301220 15.999 > 41 43 O 0.80716392086122 0.25074664333471 0.93265795698780 15.999 > 43 44 O 0.80716392086122 0.75074664333471 0.93265795698780 15.999 > 43 45 O 0.69283607913878 0.24925335666529 0.43265795698780 15.999 > 45 46 O 0.69283607913878 0.74925335666529 0.43265795698780 15.999 > 45 47 O 0.30716392086122 0.49925335666529 0.56734204301220 15.999 > 47 48 O 0.30716392086122 0.99925335666529 0.56734204301220 15.999 > 47 49 O 0.80716392086122 0.49925335666529 0.93265795698780 15.999 > 49 50 O 0.80716392086122 0.99925335666529 0.93265795698780 15.999 > 49 51 O 0.19283607913879 0.24925335666529 0.06734204301220 15.999 > 51 52 O 0.19283607913879 0.74925335666529 0.06734204301220 15.999 > 51 53 O 0.30716392086122 0.25074664333471 0.56734204301220 15.999 > 53 54 O 0.30716392086122 0.75074664333471 0.56734204301220 15.999 > 53 55 O 0.69283607913878 0.00074664333471 0.43265795698780 15.999 > 55 56 O 0.69283607913878 0.50074664333471 0.43265795698780 15.999 > 55 57 O 0.12489737367196 0.02140756608000 0.36611367082534 15.999 > 57 58 O 0.12489737367196 0.52140756608000 0.36611367082534 15.999 > 57 59 O 0.87510262632804 0.27140756608000 0.63388632917466 15.999 > 59 60 O 0.87510262632804 0.77140756608000 0.63388632917466 15.999 > 59 61 O 0.62489737367196 0.22859243392000 0.13388632917466 15.999 > 61 62 O 0.62489737367196 0.72859243392000 0.13388632917466 15.999 > 61 63 O 0.37510262632804 0.47859243392000 0.86611367082534 15.999 > 63 64 O 0.37510262632804 0.97859243392000 0.86611367082534 15.999 > 63 65 O 0.87510262632804 0.47859243392000 0.63388632917466 15.999 > 65 66 O 0.87510262632804 0.97859243392000 0.63388632917466 15.999 > 65 67 O 0.12489737367196 0.22859243392000 0.36611367082534 15.999 > 67 68 O 0.12489737367196 0.72859243392000 0.36611367082534 15.999 > 67 69 O 0.37510262632804 0.27140756608000 0.86611367082534 15.999 > 69 70 O 0.37510262632804 0.77140756608000 0.86611367082534 15.999 > 69 71 O 0.62489737367196 0.02140756608000 0.13388632917466 15.999 > 71 72 O 0.62489737367196 0.52140756608000 0.13388632917466 15.999 > 71 73 O 0.39706400963865 0.46000390514397 0.31264655100323 15.999 > 73 74 O 0.39706400963865 0.96000390514397 0.31264655100323 15.999 > 73 75 O 0.60293599036135 0.21000390514397 0.68735344899677 15.999 > 75 76 O 0.60293599036135 0.71000390514397 0.68735344899677 15.999 > 75 77 O 0.89706400963865 0.28999609485603 0.18735344899677 15.999 > 77 78 O 0.89706400963865 0.78999609485603 0.18735344899677 15.999 > 77 79 O 0.10293599036135 0.03999609485603 0.81264655100323 15.999 > 79 80 O 0.10293599036135 0.53999609485603 0.81264655100323 15.999 > 79 81 Si 0.55195209464830 0.02746137194571 0.30773754476180 28.085 > 81 82 Si 0.55195209464830 0.52746137194571 0.30773754476180 28.085 > 81 83 Si 0.44804790535170 0.27746137194571 0.69226245523820 28.085 > 83 84 Si 0.44804790535170 0.77746137194571 0.69226245523820 28.085 > 83 85 Si 0.05195209464830 0.22253862805429 0.19226245523820 28.085 > 85 86 Si 0.05195209464830 0.72253862805429 0.19226245523820 28.085 > 85 87 Si 0.94804790535170 0.47253862805429 0.80773754476180 28.085 > 87 88 Si 0.94804790535170 0.97253862805429 0.80773754476180 28.085 > 87 89 Si 0.44804790535170 0.47253862805429 0.69226245523820 28.085 > 89 90 Si 0.44804790535170 0.97253862805429 0.69226245523820 28.085 > 89 91 Si 0.55195209464830 0.22253862805429 0.30773754476180 28.085 > 91 92 Si 0.55195209464830 0.72253862805429 0.30773754476180 28.085 > 91 93 Si 0.94804790535170 0.27746137194571 0.80773754476180 28.085 > 93 94 Si 0.94804790535170 0.77746137194571 0.80773754476180 28.085 > 93 95 Si 0.05195209464830 0.02746137194571 0.19226245523820 28.085 > 95 96 Si 0.05195209464830 0.52746137194571 0.19226245523820 28.085 > 95 97 Ca 0.11487878185543 0.12500000000000 0.57643994157345 40.078 > 97 98 Ca 0.11487878185543 0.62500000000000 0.57643994157345 40.078 > 97 99 Ca 0.88512121814457 0.37500000000000 0.42356005842655 40.078 > 99 100 Ca 0.88512121814457 0.87500000000000 0.42356005842655 40.078 > 99 101 Ca 0.61487878185543 0.12500000000000 0.92356005842655 40.078 > 101 102 Ca 0.61487878185543 0.62500000000000 0.92356005842655 40.078 > 101 103 Ca 0.38512121814457 0.37500000000000 0.07643994157345 40.078 > 103 104 Ca 0.38512121814457 0.87500000000000 0.07643994157345 40.078 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8546972 0.0000000 0.0000000 0.0000000 2.8639079 0.0000000 0.0000000 0.0000000 2.8705261 -------------------------- Born effective charges -------------------------- 1 B 2.5572433 -0.0301030 -0.0095829 -0.1900111 2.4996880 0.0911974 0.1932803 -0.0754848 2.4573063 2 B 2.5572433 -0.0301030 0.0095829 -0.1900111 2.4996880 -0.0911974 -0.1932803 0.0754848 2.4573063 3 B 2.5572433 0.0301030 0.0095829 0.1900111 2.4996880 0.0911974 -0.1932803 -0.0754848 2.4573063 4 B 2.5572433 0.0301030 -0.0095829 0.1900111 2.4996880 -0.0911974 0.1932803 0.0754848 2.4573063 5 B 2.5572433 -0.0301030 -0.0095829 -0.1900111 2.4996880 0.0911974 0.1932803 -0.0754848 2.4573063 6 B 2.5572433 0.0301030 -0.0095829 0.1900111 2.4996880 -0.0911974 0.1932803 0.0754848 2.4573063 7 B 2.5572433 0.0301030 0.0095829 0.1900111 2.4996880 0.0911974 -0.1932803 -0.0754848 2.4573063 8 B 2.5572433 -0.0301030 0.0095829 -0.1900111 2.4996880 -0.0911974 -0.1932803 0.0754848 2.4573063 9 O -1.6359064 0.0000000 -0.0181675 0.0000000 -2.5756659 0.0000000 0.0402601 0.0000000 -1.0535917 10 O -1.6359064 0.0000000 0.0181675 0.0000000 -2.5756659 0.0000000 -0.0402601 0.0000000 -1.0535917 11 O -1.6359064 0.0000000 0.0181675 0.0000000 -2.5756659 0.0000000 -0.0402601 0.0000000 -1.0535917 12 O -1.6359064 0.0000000 -0.0181675 0.0000000 -2.5756659 0.0000000 0.0402601 0.0000000 -1.0535917 13 O -1.1831057 0.0000000 -0.0421615 0.0000000 -2.7837821 0.0000000 -0.0121042 0.0000000 -1.1246606 14 O -1.1831057 0.0000000 -0.0421615 0.0000000 -2.7837821 0.0000000 -0.0121042 0.0000000 -1.1246606 15 O -1.1831057 0.0000000 0.0421615 0.0000000 -2.7837821 0.0000000 0.0121042 0.0000000 -1.1246606 16 O -1.1831057 0.0000000 0.0421615 0.0000000 -2.7837821 0.0000000 0.0121042 0.0000000 -1.1246606 17 O -2.1523163 -0.4600081 -0.5130018 -0.4404015 -1.3967341 0.0583333 -0.3972316 0.0855762 -1.6588625 18 O -2.1523163 0.4600081 -0.5130018 0.4404015 -1.3967341 -0.0583333 -0.3972316 -0.0855762 -1.6588625 19 O -2.1523163 0.4600081 0.5130018 0.4404015 -1.3967341 0.0583333 0.3972316 0.0855762 -1.6588625 20 O -2.1523163 -0.4600081 0.5130018 -0.4404015 -1.3967341 -0.0583333 0.3972316 -0.0855762 -1.6588625 21 O -1.6390263 0.1394629 0.4997451 0.1337216 -1.3582703 0.1795375 0.5997100 0.1880659 -2.2904537 22 O -1.6390263 -0.1394629 0.4997451 -0.1337216 -1.3582703 -0.1795375 0.5997100 -0.1880659 -2.2904537 23 O -1.6390263 -0.1394629 -0.4997451 -0.1337216 -1.3582703 0.1795375 -0.5997100 0.1880659 -2.2904537 24 O -1.6390263 0.1394629 -0.4997451 0.1337216 -1.3582703 -0.1795375 -0.5997100 -0.1880659 -2.2904537 25 O -1.6390263 0.1394629 0.4997451 0.1337216 -1.3582703 0.1795375 0.5997100 0.1880659 -2.2904537 26 O -1.6390263 -0.1394629 0.4997451 -0.1337216 -1.3582703 -0.1795375 0.5997100 -0.1880659 -2.2904537 27 O -1.6390263 -0.1394629 -0.4997451 -0.1337216 -1.3582703 0.1795375 -0.5997100 0.1880659 -2.2904537 28 O -1.6390263 0.1394629 -0.4997451 0.1337216 -1.3582703 -0.1795375 -0.5997100 -0.1880659 -2.2904537 29 O -1.6962749 0.3895998 -0.4719621 0.3646453 -1.5691741 0.1938191 -0.4648877 0.1284472 -2.0057728 30 O -1.6962749 -0.3895998 -0.4719621 -0.3646453 -1.5691741 -0.1938191 -0.4648877 -0.1284472 -2.0057728 31 O -1.6962749 -0.3895998 0.4719621 -0.3646453 -1.5691741 0.1938191 0.4648877 0.1284472 -2.0057728 32 O -1.6962749 0.3895998 0.4719621 0.3646453 -1.5691741 -0.1938191 0.4648877 -0.1284472 -2.0057728 33 O -1.6962749 0.3895998 -0.4719621 0.3646453 -1.5691741 0.1938191 -0.4648877 0.1284472 -2.0057728 34 O -1.6962749 -0.3895998 -0.4719621 -0.3646453 -1.5691741 -0.1938191 -0.4648877 -0.1284472 -2.0057728 35 O -1.6962749 -0.3895998 0.4719621 -0.3646453 -1.5691741 0.1938191 0.4648877 0.1284472 -2.0057728 36 O -1.6962749 0.3895998 0.4719621 0.3646453 -1.5691741 -0.1938191 0.4648877 -0.1284472 -2.0057728 37 O -2.1523163 -0.4600081 0.5130018 -0.4404015 -1.3967341 -0.0583333 0.3972316 -0.0855762 -1.6588625 38 O -2.1523163 0.4600081 0.5130018 0.4404015 -1.3967341 0.0583333 0.3972316 0.0855762 -1.6588625 39 O -2.1523163 0.4600081 -0.5130018 0.4404015 -1.3967341 -0.0583333 -0.3972316 -0.0855762 -1.6588625 40 O -2.1523163 -0.4600081 -0.5130018 -0.4404015 -1.3967341 0.0583333 -0.3972316 0.0855762 -1.6588625 41 Si 3.1437598 0.2631191 -0.1245490 -0.0396106 3.1879004 0.1925596 0.0602927 -0.0657159 3.3075493 42 Si 3.1437598 -0.2631191 -0.1245490 0.0396106 3.1879004 -0.1925596 0.0602927 0.0657159 3.3075493 43 Si 3.1437598 -0.2631191 0.1245490 0.0396106 3.1879004 0.1925596 -0.0602927 -0.0657159 3.3075493 44 Si 3.1437598 0.2631191 0.1245490 -0.0396106 3.1879004 -0.1925596 -0.0602927 0.0657159 3.3075493 45 Si 3.1437598 0.2631191 -0.1245490 -0.0396106 3.1879004 0.1925596 0.0602927 -0.0657159 3.3075493 46 Si 3.1437598 -0.2631191 -0.1245490 0.0396106 3.1879004 -0.1925596 0.0602927 0.0657159 3.3075493 47 Si 3.1437598 -0.2631191 0.1245490 0.0396106 3.1879004 0.1925596 -0.0602927 -0.0657159 3.3075493 48 Si 3.1437598 0.2631191 0.1245490 -0.0396106 3.1879004 -0.1925596 -0.0602927 0.0657159 3.3075493 49 Ca 2.3922409 0.0000000 -0.1684903 0.0000000 2.6326280 0.0000000 -0.1089100 0.0000000 2.5587190 50 Ca 2.3922409 0.0000000 -0.1684903 0.0000000 2.6326280 0.0000000 -0.1089100 0.0000000 2.5587190 51 Ca 2.3922409 0.0000000 0.1684903 0.0000000 2.6326280 0.0000000 0.1089100 0.0000000 2.5587190 52 Ca 2.3922409 0.0000000 0.1684903 0.0000000 2.6326280 0.0000000 0.1089100 0.0000000 2.5587190 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:38:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:38:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.047770750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737484850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.772555219999997 Atomic positions (fractional): 1 B 0.25704241217407 0.57935683220253 0.41962732811299 10.811 2 B 0.75704241217407 0.57935683220253 0.08037267188701 10.811 3 B 0.24295758782593 0.07935683220253 0.91962732811299 10.811 4 B 0.25704241217407 0.92064316779747 0.41962732811299 10.811 5 B 0.74295758782593 0.42064316779747 0.58037267188701 10.811 6 B 0.74295758782593 0.07935683220253 0.58037267188701 10.811 7 B 0.75704241217407 0.92064316779747 0.08037267188701 10.811 8 B 0.24295758782593 0.42064316779747 0.91962732811299 10.811 9 O 0.31869728093380 0.25000000000000 0.93033345712481 15.999 10 O 0.18130271906620 0.75000000000000 0.43033345712481 15.999 11 O 0.81869728093380 0.25000000000000 0.56966654287519 15.999 12 O 0.68130271906620 0.75000000000000 0.06966654287519 15.999 13 O 0.98427432268491 0.25000000000000 0.16226508812506 15.999 14 O 0.01572567731509 0.75000000000000 0.83773491187494 15.999 15 O 0.48427432268491 0.25000000000000 0.33773491187494 15.999 16 O 0.51572567731509 0.75000000000000 0.66226508812506 15.999 17 O 0.89706400963865 0.92000781028795 0.18735344899677 15.999 18 O 0.10293599036135 0.42000781028795 0.81264655100323 15.999 19 O 0.39706400963865 0.57999218971205 0.31264655100323 15.999 20 O 0.60293599036135 0.07999218971205 0.68735344899677 15.999 21 O 0.19283607913879 0.00149328666941 0.06734204301220 15.999 22 O 0.80716392086122 0.50149328666941 0.93265795698780 15.999 23 O 0.69283607913878 0.49850671333059 0.43265795698780 15.999 24 O 0.30716392086122 0.99850671333059 0.56734204301220 15.999 25 O 0.80716392086122 0.99850671333059 0.93265795698780 15.999 26 O 0.19283607913879 0.49850671333059 0.06734204301220 15.999 27 O 0.30716392086122 0.50149328666941 0.56734204301220 15.999 28 O 0.69283607913878 0.00149328666941 0.43265795698780 15.999 29 O 0.12489737367196 0.04281513216000 0.36611367082534 15.999 30 O 0.87510262632804 0.54281513215999 0.63388632917466 15.999 31 O 0.62489737367196 0.45718486784001 0.13388632917466 15.999 32 O 0.37510262632804 0.95718486784001 0.86611367082534 15.999 33 O 0.87510262632804 0.95718486784001 0.63388632917466 15.999 34 O 0.12489737367196 0.45718486784001 0.36611367082534 15.999 35 O 0.37510262632804 0.54281513215999 0.86611367082534 15.999 36 O 0.62489737367196 0.04281513216000 0.13388632917466 15.999 37 O 0.39706400963865 0.92000781028795 0.31264655100323 15.999 38 O 0.60293599036135 0.42000781028795 0.68735344899677 15.999 39 O 0.89706400963865 0.57999218971205 0.18735344899677 15.999 40 O 0.10293599036135 0.07999218971205 0.81264655100323 15.999 41 Si 0.55195209464830 0.05492274389143 0.30773754476180 28.085 42 Si 0.44804790535170 0.55492274389143 0.69226245523820 28.085 43 Si 0.05195209464830 0.44507725610857 0.19226245523820 28.085 44 Si 0.94804790535170 0.94507725610857 0.80773754476180 28.085 45 Si 0.44804790535170 0.94507725610857 0.69226245523820 28.085 46 Si 0.55195209464830 0.44507725610857 0.30773754476180 28.085 47 Si 0.94804790535170 0.55492274389143 0.80773754476180 28.085 48 Si 0.05195209464830 0.05492274389143 0.19226245523820 28.085 49 Ca 0.11487878185543 0.25000000000000 0.57643994157345 40.078 50 Ca 0.88512121814457 0.75000000000000 0.42356005842655 40.078 51 Ca 0.61487878185543 0.25000000000000 0.92356005842655 40.078 52 Ca 0.38512121814457 0.75000000000000 0.07643994157345 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.047770750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.474969700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.772555219999997 Atomic positions (fractional): 1 B 0.25704241217407 0.28967841610126 0.41962732811299 10.811 > 1 2 B 0.25704241217407 0.78967841610126 0.41962732811299 10.811 > 1 3 B 0.75704241217407 0.28967841610126 0.08037267188701 10.811 > 3 4 B 0.75704241217407 0.78967841610126 0.08037267188701 10.811 > 3 5 B 0.24295758782593 0.03967841610126 0.91962732811299 10.811 > 5 6 B 0.24295758782593 0.53967841610126 0.91962732811299 10.811 > 5 7 B 0.25704241217407 0.46032158389874 0.41962732811299 10.811 > 7 8 B 0.25704241217407 0.96032158389874 0.41962732811299 10.811 > 7 9 B 0.74295758782593 0.21032158389874 0.58037267188701 10.811 > 9 10 B 0.74295758782593 0.71032158389874 0.58037267188701 10.811 > 9 11 B 0.74295758782593 0.03967841610126 0.58037267188701 10.811 > 11 12 B 0.74295758782593 0.53967841610126 0.58037267188701 10.811 > 11 13 B 0.75704241217407 0.46032158389874 0.08037267188701 10.811 > 13 14 B 0.75704241217407 0.96032158389874 0.08037267188701 10.811 > 13 15 B 0.24295758782593 0.21032158389874 0.91962732811299 10.811 > 15 16 B 0.24295758782593 0.71032158389874 0.91962732811299 10.811 > 15 17 O 0.31869728093380 0.12500000000000 0.93033345712481 15.999 > 17 18 O 0.31869728093380 0.62500000000000 0.93033345712481 15.999 > 17 19 O 0.18130271906620 0.37500000000000 0.43033345712481 15.999 > 19 20 O 0.18130271906620 0.87500000000000 0.43033345712481 15.999 > 19 21 O 0.81869728093380 0.12500000000000 0.56966654287519 15.999 > 21 22 O 0.81869728093380 0.62500000000000 0.56966654287519 15.999 > 21 23 O 0.68130271906620 0.37500000000000 0.06966654287519 15.999 > 23 24 O 0.68130271906620 0.87500000000000 0.06966654287519 15.999 > 23 25 O 0.98427432268491 0.12500000000000 0.16226508812506 15.999 > 25 26 O 0.98427432268491 0.62500000000000 0.16226508812506 15.999 > 25 27 O 0.01572567731509 0.37500000000000 0.83773491187494 15.999 > 27 28 O 0.01572567731509 0.87500000000000 0.83773491187494 15.999 > 27 29 O 0.48427432268491 0.12500000000000 0.33773491187494 15.999 > 29 30 O 0.48427432268491 0.62500000000000 0.33773491187494 15.999 > 29 31 O 0.51572567731509 0.37500000000000 0.66226508812506 15.999 > 31 32 O 0.51572567731509 0.87500000000000 0.66226508812506 15.999 > 31 33 O 0.89706400963865 0.46000390514397 0.18735344899677 15.999 > 33 34 O 0.89706400963865 0.96000390514397 0.18735344899677 15.999 > 33 35 O 0.10293599036135 0.21000390514397 0.81264655100323 15.999 > 35 36 O 0.10293599036135 0.71000390514397 0.81264655100323 15.999 > 35 37 O 0.39706400963865 0.28999609485603 0.31264655100323 15.999 > 37 38 O 0.39706400963865 0.78999609485603 0.31264655100323 15.999 > 37 39 O 0.60293599036135 0.03999609485603 0.68735344899677 15.999 > 39 40 O 0.60293599036135 0.53999609485603 0.68735344899677 15.999 > 39 41 O 0.19283607913879 0.00074664333471 0.06734204301220 15.999 > 41 42 O 0.19283607913879 0.50074664333471 0.06734204301220 15.999 > 41 43 O 0.80716392086122 0.25074664333471 0.93265795698780 15.999 > 43 44 O 0.80716392086122 0.75074664333471 0.93265795698780 15.999 > 43 45 O 0.69283607913878 0.24925335666529 0.43265795698780 15.999 > 45 46 O 0.69283607913878 0.74925335666529 0.43265795698780 15.999 > 45 47 O 0.30716392086122 0.49925335666529 0.56734204301220 15.999 > 47 48 O 0.30716392086122 0.99925335666529 0.56734204301220 15.999 > 47 49 O 0.80716392086122 0.49925335666529 0.93265795698780 15.999 > 49 50 O 0.80716392086122 0.99925335666529 0.93265795698780 15.999 > 49 51 O 0.19283607913879 0.24925335666529 0.06734204301220 15.999 > 51 52 O 0.19283607913879 0.74925335666529 0.06734204301220 15.999 > 51 53 O 0.30716392086122 0.25074664333471 0.56734204301220 15.999 > 53 54 O 0.30716392086122 0.75074664333471 0.56734204301220 15.999 > 53 55 O 0.69283607913878 0.00074664333471 0.43265795698780 15.999 > 55 56 O 0.69283607913878 0.50074664333471 0.43265795698780 15.999 > 55 57 O 0.12489737367196 0.02140756608000 0.36611367082534 15.999 > 57 58 O 0.12489737367196 0.52140756608000 0.36611367082534 15.999 > 57 59 O 0.87510262632804 0.27140756608000 0.63388632917466 15.999 > 59 60 O 0.87510262632804 0.77140756608000 0.63388632917466 15.999 > 59 61 O 0.62489737367196 0.22859243392000 0.13388632917466 15.999 > 61 62 O 0.62489737367196 0.72859243392000 0.13388632917466 15.999 > 61 63 O 0.37510262632804 0.47859243392000 0.86611367082534 15.999 > 63 64 O 0.37510262632804 0.97859243392000 0.86611367082534 15.999 > 63 65 O 0.87510262632804 0.47859243392000 0.63388632917466 15.999 > 65 66 O 0.87510262632804 0.97859243392000 0.63388632917466 15.999 > 65 67 O 0.12489737367196 0.22859243392000 0.36611367082534 15.999 > 67 68 O 0.12489737367196 0.72859243392000 0.36611367082534 15.999 > 67 69 O 0.37510262632804 0.27140756608000 0.86611367082534 15.999 > 69 70 O 0.37510262632804 0.77140756608000 0.86611367082534 15.999 > 69 71 O 0.62489737367196 0.02140756608000 0.13388632917466 15.999 > 71 72 O 0.62489737367196 0.52140756608000 0.13388632917466 15.999 > 71 73 O 0.39706400963865 0.46000390514397 0.31264655100323 15.999 > 73 74 O 0.39706400963865 0.96000390514397 0.31264655100323 15.999 > 73 75 O 0.60293599036135 0.21000390514397 0.68735344899677 15.999 > 75 76 O 0.60293599036135 0.71000390514397 0.68735344899677 15.999 > 75 77 O 0.89706400963865 0.28999609485603 0.18735344899677 15.999 > 77 78 O 0.89706400963865 0.78999609485603 0.18735344899677 15.999 > 77 79 O 0.10293599036135 0.03999609485603 0.81264655100323 15.999 > 79 80 O 0.10293599036135 0.53999609485603 0.81264655100323 15.999 > 79 81 Si 0.55195209464830 0.02746137194571 0.30773754476180 28.085 > 81 82 Si 0.55195209464830 0.52746137194571 0.30773754476180 28.085 > 81 83 Si 0.44804790535170 0.27746137194571 0.69226245523820 28.085 > 83 84 Si 0.44804790535170 0.77746137194571 0.69226245523820 28.085 > 83 85 Si 0.05195209464830 0.22253862805429 0.19226245523820 28.085 > 85 86 Si 0.05195209464830 0.72253862805429 0.19226245523820 28.085 > 85 87 Si 0.94804790535170 0.47253862805429 0.80773754476180 28.085 > 87 88 Si 0.94804790535170 0.97253862805429 0.80773754476180 28.085 > 87 89 Si 0.44804790535170 0.47253862805429 0.69226245523820 28.085 > 89 90 Si 0.44804790535170 0.97253862805429 0.69226245523820 28.085 > 89 91 Si 0.55195209464830 0.22253862805429 0.30773754476180 28.085 > 91 92 Si 0.55195209464830 0.72253862805429 0.30773754476180 28.085 > 91 93 Si 0.94804790535170 0.27746137194571 0.80773754476180 28.085 > 93 94 Si 0.94804790535170 0.77746137194571 0.80773754476180 28.085 > 93 95 Si 0.05195209464830 0.02746137194571 0.19226245523820 28.085 > 95 96 Si 0.05195209464830 0.52746137194571 0.19226245523820 28.085 > 95 97 Ca 0.11487878185543 0.12500000000000 0.57643994157345 40.078 > 97 98 Ca 0.11487878185543 0.62500000000000 0.57643994157345 40.078 > 97 99 Ca 0.88512121814457 0.37500000000000 0.42356005842655 40.078 > 99 100 Ca 0.88512121814457 0.87500000000000 0.42356005842655 40.078 > 99 101 Ca 0.61487878185543 0.12500000000000 0.92356005842655 40.078 > 101 102 Ca 0.61487878185543 0.62500000000000 0.92356005842655 40.078 > 101 103 Ca 0.38512121814457 0.37500000000000 0.07643994157345 40.078 > 103 104 Ca 0.38512121814457 0.87500000000000 0.07643994157345 40.078 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8546972 0.0000000 0.0000000 0.0000000 2.8639079 0.0000000 0.0000000 0.0000000 2.8705261 -------------------------- Born effective charges -------------------------- 1 B 2.5572433 -0.0301030 -0.0095829 -0.1900111 2.4996880 0.0911974 0.1932803 -0.0754848 2.4573063 2 B 2.5572433 -0.0301030 0.0095829 -0.1900111 2.4996880 -0.0911974 -0.1932803 0.0754848 2.4573063 3 B 2.5572433 0.0301030 0.0095829 0.1900111 2.4996880 0.0911974 -0.1932803 -0.0754848 2.4573063 4 B 2.5572433 0.0301030 -0.0095829 0.1900111 2.4996880 -0.0911974 0.1932803 0.0754848 2.4573063 5 B 2.5572433 -0.0301030 -0.0095829 -0.1900111 2.4996880 0.0911974 0.1932803 -0.0754848 2.4573063 6 B 2.5572433 0.0301030 -0.0095829 0.1900111 2.4996880 -0.0911974 0.1932803 0.0754848 2.4573063 7 B 2.5572433 0.0301030 0.0095829 0.1900111 2.4996880 0.0911974 -0.1932803 -0.0754848 2.4573063 8 B 2.5572433 -0.0301030 0.0095829 -0.1900111 2.4996880 -0.0911974 -0.1932803 0.0754848 2.4573063 9 O -1.6359064 0.0000000 -0.0181675 0.0000000 -2.5756659 0.0000000 0.0402601 0.0000000 -1.0535917 10 O -1.6359064 0.0000000 0.0181675 0.0000000 -2.5756659 0.0000000 -0.0402601 0.0000000 -1.0535917 11 O -1.6359064 0.0000000 0.0181675 0.0000000 -2.5756659 0.0000000 -0.0402601 0.0000000 -1.0535917 12 O -1.6359064 0.0000000 -0.0181675 0.0000000 -2.5756659 0.0000000 0.0402601 0.0000000 -1.0535917 13 O -1.1831057 0.0000000 -0.0421615 0.0000000 -2.7837821 0.0000000 -0.0121042 0.0000000 -1.1246606 14 O -1.1831057 0.0000000 -0.0421615 0.0000000 -2.7837821 0.0000000 -0.0121042 0.0000000 -1.1246606 15 O -1.1831057 0.0000000 0.0421615 0.0000000 -2.7837821 0.0000000 0.0121042 0.0000000 -1.1246606 16 O -1.1831057 0.0000000 0.0421615 0.0000000 -2.7837821 0.0000000 0.0121042 0.0000000 -1.1246606 17 O -2.1523163 -0.4600081 -0.5130018 -0.4404015 -1.3967341 0.0583333 -0.3972316 0.0855762 -1.6588625 18 O -2.1523163 0.4600081 -0.5130018 0.4404015 -1.3967341 -0.0583333 -0.3972316 -0.0855762 -1.6588625 19 O -2.1523163 0.4600081 0.5130018 0.4404015 -1.3967341 0.0583333 0.3972316 0.0855762 -1.6588625 20 O -2.1523163 -0.4600081 0.5130018 -0.4404015 -1.3967341 -0.0583333 0.3972316 -0.0855762 -1.6588625 21 O -1.6390263 0.1394629 0.4997451 0.1337216 -1.3582703 0.1795375 0.5997100 0.1880659 -2.2904537 22 O -1.6390263 -0.1394629 0.4997451 -0.1337216 -1.3582703 -0.1795375 0.5997100 -0.1880659 -2.2904537 23 O -1.6390263 -0.1394629 -0.4997451 -0.1337216 -1.3582703 0.1795375 -0.5997100 0.1880659 -2.2904537 24 O -1.6390263 0.1394629 -0.4997451 0.1337216 -1.3582703 -0.1795375 -0.5997100 -0.1880659 -2.2904537 25 O -1.6390263 0.1394629 0.4997451 0.1337216 -1.3582703 0.1795375 0.5997100 0.1880659 -2.2904537 26 O -1.6390263 -0.1394629 0.4997451 -0.1337216 -1.3582703 -0.1795375 0.5997100 -0.1880659 -2.2904537 27 O -1.6390263 -0.1394629 -0.4997451 -0.1337216 -1.3582703 0.1795375 -0.5997100 0.1880659 -2.2904537 28 O -1.6390263 0.1394629 -0.4997451 0.1337216 -1.3582703 -0.1795375 -0.5997100 -0.1880659 -2.2904537 29 O -1.6962749 0.3895998 -0.4719621 0.3646453 -1.5691741 0.1938191 -0.4648877 0.1284472 -2.0057728 30 O -1.6962749 -0.3895998 -0.4719621 -0.3646453 -1.5691741 -0.1938191 -0.4648877 -0.1284472 -2.0057728 31 O -1.6962749 -0.3895998 0.4719621 -0.3646453 -1.5691741 0.1938191 0.4648877 0.1284472 -2.0057728 32 O -1.6962749 0.3895998 0.4719621 0.3646453 -1.5691741 -0.1938191 0.4648877 -0.1284472 -2.0057728 33 O -1.6962749 0.3895998 -0.4719621 0.3646453 -1.5691741 0.1938191 -0.4648877 0.1284472 -2.0057728 34 O -1.6962749 -0.3895998 -0.4719621 -0.3646453 -1.5691741 -0.1938191 -0.4648877 -0.1284472 -2.0057728 35 O -1.6962749 -0.3895998 0.4719621 -0.3646453 -1.5691741 0.1938191 0.4648877 0.1284472 -2.0057728 36 O -1.6962749 0.3895998 0.4719621 0.3646453 -1.5691741 -0.1938191 0.4648877 -0.1284472 -2.0057728 37 O -2.1523163 -0.4600081 0.5130018 -0.4404015 -1.3967341 -0.0583333 0.3972316 -0.0855762 -1.6588625 38 O -2.1523163 0.4600081 0.5130018 0.4404015 -1.3967341 0.0583333 0.3972316 0.0855762 -1.6588625 39 O -2.1523163 0.4600081 -0.5130018 0.4404015 -1.3967341 -0.0583333 -0.3972316 -0.0855762 -1.6588625 40 O -2.1523163 -0.4600081 -0.5130018 -0.4404015 -1.3967341 0.0583333 -0.3972316 0.0855762 -1.6588625 41 Si 3.1437598 0.2631191 -0.1245490 -0.0396106 3.1879004 0.1925596 0.0602927 -0.0657159 3.3075493 42 Si 3.1437598 -0.2631191 -0.1245490 0.0396106 3.1879004 -0.1925596 0.0602927 0.0657159 3.3075493 43 Si 3.1437598 -0.2631191 0.1245490 0.0396106 3.1879004 0.1925596 -0.0602927 -0.0657159 3.3075493 44 Si 3.1437598 0.2631191 0.1245490 -0.0396106 3.1879004 -0.1925596 -0.0602927 0.0657159 3.3075493 45 Si 3.1437598 0.2631191 -0.1245490 -0.0396106 3.1879004 0.1925596 0.0602927 -0.0657159 3.3075493 46 Si 3.1437598 -0.2631191 -0.1245490 0.0396106 3.1879004 -0.1925596 0.0602927 0.0657159 3.3075493 47 Si 3.1437598 -0.2631191 0.1245490 0.0396106 3.1879004 0.1925596 -0.0602927 -0.0657159 3.3075493 48 Si 3.1437598 0.2631191 0.1245490 -0.0396106 3.1879004 -0.1925596 -0.0602927 0.0657159 3.3075493 49 Ca 2.3922409 0.0000000 -0.1684903 0.0000000 2.6326280 0.0000000 -0.1089100 0.0000000 2.5587190 50 Ca 2.3922409 0.0000000 -0.1684903 0.0000000 2.6326280 0.0000000 -0.1089100 0.0000000 2.5587190 51 Ca 2.3922409 0.0000000 0.1684903 0.0000000 2.6326280 0.0000000 0.1089100 0.0000000 2.5587190 52 Ca 2.3922409 0.0000000 0.1684903 0.0000000 2.6326280 0.0000000 0.1089100 0.0000000 2.5587190 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 6 ] 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: 0.51, Number of G-points: 291, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 11.898 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 12.155 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.265 ( 0.000 0.000 0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 0.000 0.000) 0.000 12.698 ( 0.000 0.000 0.000) 0.000 12.978 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.205 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.479 ( 0.000 0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 0.000) 0.000 14.903 ( 0.000 0.000 0.000) 0.000 14.961 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.089 ( 0.000 0.000 0.000) 0.000 16.192 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 16.796 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 17.412 ( 0.000 0.000 0.000) 0.000 17.695 ( 0.000 0.000 0.000) 0.000 17.740 ( 0.000 0.000 0.000) 0.000 17.827 ( 0.000 0.000 0.000) 0.000 17.932 ( 0.000 0.000 0.000) 0.000 18.039 ( 0.000 0.000 0.000) 0.000 18.166 ( 0.000 0.000 0.000) 0.000 18.203 ( 0.000 0.000 0.000) 0.000 18.446 ( 0.000 0.000 0.000) 0.000 18.997 ( 0.000 0.000 0.000) 0.000 19.369 ( 0.000 0.000 0.000) 0.000 19.614 ( 0.000 0.000 0.000) 0.000 20.396 ( 0.000 0.000 0.000) 0.000 20.450 ( 0.000 0.000 0.000) 0.000 20.896 ( 0.000 0.000 0.000) 0.000 21.256 ( 0.000 0.000 0.000) 0.000 21.821 ( 0.000 0.000 0.000) 0.000 21.851 ( 0.000 0.000 0.000) 0.000 22.596 ( 0.000 0.000 0.000) 0.000 22.922 ( 0.000 0.000 0.000) 0.000 23.820 ( 0.000 0.000 0.000) 0.000 25.202 ( 0.000 0.000 0.000) 0.000 25.536 ( 0.000 0.000 0.000) 0.000 25.669 ( 0.000 0.000 0.000) 0.000 25.799 ( 0.000 0.000 0.000) 0.000 26.159 ( 0.000 0.000 0.000) 0.000 26.244 ( 0.000 0.000 0.000) 0.000 26.409 ( 0.000 0.000 0.000) 0.000 26.691 ( 0.000 0.000 0.000) 0.000 26.962 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 27.344 ( 0.000 0.000 0.000) 0.000 27.450 ( 0.000 0.000 0.000) 0.000 27.610 ( 0.000 0.000 0.000) 0.000 27.732 ( 0.000 0.000 0.000) 0.000 27.909 ( 0.000 0.000 0.000) 0.000 27.998 ( 0.000 0.000 0.000) 0.000 28.149 ( 0.000 0.000 0.000) 0.000 28.204 ( 0.000 0.000 0.000) 0.000 28.228 ( 0.000 0.000 0.000) 0.000 28.592 ( 0.000 0.000 0.000) 0.000 28.708 ( 0.000 0.000 0.000) 0.000 28.753 ( 0.000 0.000 0.000) 0.000 28.884 ( 0.000 0.000 0.000) 0.000 28.894 ( 0.000 0.000 0.000) 0.000 28.898 ( 0.000 0.000 0.000) 0.000 28.938 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.520 ( 0.000 0.000 0.000) 0.000 29.790 ( 0.000 0.000 0.000) 0.000 29.844 ( 0.000 0.000 0.000) 0.000 30.157 ( 0.000 0.000 0.000) 0.000 30.158 ( 0.000 0.000 0.000) 0.000 30.174 ( 0.000 0.000 0.000) 0.000 30.373 ( 0.000 0.000 0.000) 0.000 30.404 ( 0.000 0.000 0.000) 0.000 30.604 ( 0.000 0.000 0.000) 0.000 31.891 ( 0.000 0.000 0.000) 0.000 32.165 ( 0.000 0.000 0.000) 0.000 32.324 ( 0.000 0.000 0.000) 0.000 32.344 ( 0.000 0.000 0.000) 0.000 32.711 ( 0.000 0.000 0.000) 0.000 32.718 ( 0.000 0.000 0.000) 0.000 32.986 ( 0.000 0.000 0.000) 0.000 33.023 ( 0.000 0.000 0.000) 0.000 33.040 ( 0.000 0.000 0.000) 0.000 33.173 ( 0.000 0.000 0.000) 0.000 33.187 ( 0.000 0.000 0.000) 0.000 33.447 ( 0.000 0.000 0.000) 0.000 34.053 ( 0.000 0.000 0.000) 0.000 34.608 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 36.544 0.000 0.000) 36.544 1.039 ( 49.290 0.000 0.000) 49.290 1.473 ( 67.833 0.000 0.000) 67.833 3.050 ( 15.494 0.000 0.000) 15.494 3.539 ( -2.779 0.000 0.000) 2.779 3.622 ( 34.347 0.000 0.000) 34.347 3.815 ( 6.524 0.000 0.000) 6.524 3.900 ( -30.663 0.000 0.000) 30.663 3.922 ( -10.218 0.000 0.000) 10.218 4.118 ( 14.326 0.000 0.000) 14.326 4.263 ( -5.050 0.000 0.000) 5.050 4.593 ( -18.110 0.000 0.000) 18.110 4.626 ( -0.355 0.000 0.000) 0.355 4.793 ( -2.873 0.000 0.000) 2.873 4.812 ( 5.249 0.000 0.000) 5.249 4.861 ( 3.310 0.000 0.000) 3.310 5.180 ( -2.238 0.000 0.000) 2.238 5.246 ( -3.646 0.000 0.000) 3.646 5.302 ( -7.100 0.000 0.000) 7.100 5.492 ( -1.868 0.000 0.000) 1.868 5.526 ( 0.054 0.000 0.000) 0.054 5.590 ( -7.428 0.000 0.000) 7.428 5.616 ( -0.344 0.000 0.000) 0.344 5.787 ( -6.578 0.000 0.000) 6.578 5.851 ( -11.438 0.000 0.000) 11.438 5.904 ( 1.150 0.000 0.000) 1.150 5.946 ( -4.393 0.000 0.000) 4.393 6.245 ( 10.142 0.000 0.000) 10.142 6.484 ( -17.400 0.000 0.000) 17.400 6.485 ( 0.323 0.000 0.000) 0.323 6.625 ( -7.982 0.000 0.000) 7.982 6.642 ( 2.558 0.000 0.000) 2.558 7.376 ( 10.751 0.000 0.000) 10.751 7.514 ( 0.747 0.000 0.000) 0.747 7.637 ( -6.131 0.000 0.000) 6.131 7.701 ( 17.353 0.000 0.000) 17.353 7.952 ( -16.039 0.000 0.000) 16.039 8.025 ( 0.866 0.000 0.000) 0.866 8.236 ( -2.587 0.000 0.000) 2.587 8.265 ( 15.199 0.000 0.000) 15.199 8.420 ( -8.456 0.000 0.000) 8.456 8.650 ( -8.478 0.000 0.000) 8.478 8.784 ( -7.571 0.000 0.000) 7.571 8.974 ( -18.852 0.000 0.000) 18.852 9.077 ( 19.007 0.000 0.000) 19.007 9.086 ( 4.520 0.000 0.000) 4.520 9.101 ( -17.640 0.000 0.000) 17.640 9.213 ( -21.332 0.000 0.000) 21.332 9.281 ( -0.206 0.000 0.000) 0.206 9.911 ( 19.629 0.000 0.000) 19.629 9.949 ( 11.207 0.000 0.000) 11.207 10.035 ( 1.707 0.000 0.000) 1.707 10.371 ( 8.490 0.000 0.000) 8.490 10.436 ( 20.161 0.000 0.000) 20.161 10.853 ( -9.011 0.000 0.000) 9.011 11.024 ( 18.856 0.000 0.000) 18.856 11.307 ( -1.820 0.000 0.000) 1.820 11.354 ( 9.283 0.000 0.000) 9.283 11.735 ( -12.739 0.000 0.000) 12.739 11.827 ( -13.559 0.000 0.000) 13.559 11.925 ( 17.154 0.000 0.000) 17.154 12.212 ( 3.123 0.000 0.000) 3.123 12.318 ( 1.817 0.000 0.000) 1.817 12.355 ( 0.712 0.000 0.000) 0.712 12.408 ( 0.106 0.000 0.000) 0.106 12.428 ( 13.367 0.000 0.000) 13.367 12.667 ( -3.280 0.000 0.000) 3.280 12.945 ( -4.800 0.000 0.000) 4.800 13.028 ( -3.858 0.000 0.000) 3.858 13.257 ( 1.172 0.000 0.000) 1.172 13.262 ( -1.090 0.000 0.000) 1.090 13.423 ( -5.325 0.000 0.000) 5.325 13.636 ( -3.573 0.000 0.000) 3.573 13.668 ( -13.450 0.000 0.000) 13.450 14.206 ( 6.182 0.000 0.000) 6.182 14.860 ( -4.114 0.000 0.000) 4.114 15.193 ( 0.561 0.000 0.000) 0.561 15.272 ( 2.734 0.000 0.000) 2.734 15.756 ( -9.631 0.000 0.000) 9.631 15.904 ( -9.408 0.000 0.000) 9.408 16.151 ( 3.408 0.000 0.000) 3.408 16.230 ( 2.771 0.000 0.000) 2.771 16.547 ( 2.002 0.000 0.000) 2.002 16.820 ( 2.511 0.000 0.000) 2.511 16.965 ( 0.965 0.000 0.000) 0.965 17.395 ( -0.291 0.000 0.000) 0.291 17.579 ( -12.324 0.000 0.000) 12.324 17.687 ( -0.990 0.000 0.000) 0.990 17.933 ( 0.112 0.000 0.000) 0.112 17.945 ( 1.701 0.000 0.000) 1.701 18.077 ( 3.064 0.000 0.000) 3.064 18.168 ( 0.227 0.000 0.000) 0.227 18.209 ( 0.570 0.000 0.000) 0.570 18.402 ( -3.598 0.000 0.000) 3.598 19.435 ( 5.459 0.000 0.000) 5.459 19.466 ( 5.644 0.000 0.000) 5.644 19.658 ( 4.433 0.000 0.000) 4.433 20.517 ( 6.220 0.000 0.000) 6.220 20.519 ( 2.958 0.000 0.000) 2.958 20.741 ( -13.068 0.000 0.000) 13.068 21.252 ( -2.187 0.000 0.000) 2.187 21.507 ( -16.348 0.000 0.000) 16.348 22.128 ( 12.749 0.000 0.000) 12.749 22.598 ( -0.010 0.000 0.000) 0.010 22.925 ( 1.561 0.000 0.000) 1.561 23.748 ( -6.919 0.000 0.000) 6.919 25.332 ( 11.191 0.000 0.000) 11.191 25.559 ( -0.241 0.000 0.000) 0.241 25.652 ( -1.525 0.000 0.000) 1.525 25.857 ( 5.610 0.000 0.000) 5.610 26.211 ( -3.716 0.000 0.000) 3.716 26.214 ( 5.178 0.000 0.000) 5.178 26.390 ( -1.417 0.000 0.000) 1.417 26.743 ( 5.177 0.000 0.000) 5.177 26.907 ( -5.282 0.000 0.000) 5.282 27.333 ( -0.401 0.000 0.000) 0.401 27.375 ( 2.870 0.000 0.000) 2.870 27.452 ( -0.095 0.000 0.000) 0.095 27.610 ( -0.116 0.000 0.000) 0.116 27.701 ( -3.562 0.000 0.000) 3.562 27.934 ( 2.393 0.000 0.000) 2.393 28.124 ( -1.653 0.000 0.000) 1.653 28.150 ( -4.162 0.000 0.000) 4.162 28.188 ( -3.208 0.000 0.000) 3.208 28.644 ( 4.487 0.000 0.000) 4.487 28.653 ( -1.188 0.000 0.000) 1.188 28.775 ( 1.236 0.000 0.000) 1.236 28.868 ( -1.335 0.000 0.000) 1.335 28.902 ( 1.072 0.000 0.000) 1.072 28.910 ( 1.400 0.000 0.000) 1.400 29.070 ( 15.618 0.000 0.000) 15.618 29.259 ( 6.556 0.000 0.000) 6.556 29.490 ( -2.557 0.000 0.000) 2.557 29.767 ( -2.147 0.000 0.000) 2.147 29.809 ( -3.107 0.000 0.000) 3.107 30.096 ( -5.717 0.000 0.000) 5.717 30.169 ( 0.966 0.000 0.000) 0.966 30.178 ( 0.337 0.000 0.000) 0.337 30.350 ( -1.759 0.000 0.000) 1.759 30.420 ( 4.777 0.000 0.000) 4.777 30.715 ( 10.525 0.000 0.000) 10.525 31.329 ( -4.915 0.000 0.000) 4.915 31.678 ( -13.359 0.000 0.000) 13.359 32.173 ( -12.803 0.000 0.000) 12.803 32.318 ( 7.682 0.000 0.000) 7.682 32.411 ( 6.162 0.000 0.000) 6.162 32.686 ( -3.061 0.000 0.000) 3.061 32.787 ( 5.208 0.000 0.000) 5.208 33.010 ( 0.566 0.000 0.000) 0.566 33.021 ( -1.138 0.000 0.000) 1.138 33.026 ( 0.521 0.000 0.000) 0.521 33.205 ( 3.164 0.000 0.000) 3.164 33.395 ( -4.915 0.000 0.000) 4.915 33.991 ( -5.838 0.000 0.000) 5.838 34.668 ( 5.762 0.000 0.000) 5.762 35.564 ( -7.392 0.000 0.000) 7.392 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 38.761 0.000 0.000) 38.761 2.020 ( 44.708 0.000 0.000) 44.708 2.697 ( 45.430 0.000 0.000) 45.430 3.164 ( -38.702 0.000 0.000) 38.702 3.460 ( -6.961 0.000 0.000) 6.961 3.518 ( 27.825 0.000 0.000) 27.825 3.703 ( -10.040 0.000 0.000) 10.040 4.001 ( 3.487 0.000 0.000) 3.487 4.133 ( -6.812 0.000 0.000) 6.812 4.166 ( -2.981 0.000 0.000) 2.981 4.480 ( 44.794 0.000 0.000) 44.794 4.513 ( 17.065 0.000 0.000) 17.065 4.530 ( -11.138 0.000 0.000) 11.138 4.692 ( -5.355 0.000 0.000) 5.355 4.946 ( 6.452 0.000 0.000) 6.452 4.959 ( 5.307 0.000 0.000) 5.307 5.077 ( -14.732 0.000 0.000) 14.732 5.134 ( -3.305 0.000 0.000) 3.305 5.143 ( -5.234 0.000 0.000) 5.234 5.264 ( -18.845 0.000 0.000) 18.845 5.367 ( -10.864 0.000 0.000) 10.864 5.493 ( 1.067 0.000 0.000) 1.067 5.532 ( -18.483 0.000 0.000) 18.483 5.581 ( -1.382 0.000 0.000) 1.382 5.641 ( -7.186 0.000 0.000) 7.186 5.915 ( 0.946 0.000 0.000) 0.946 5.928 ( 0.908 0.000 0.000) 0.908 6.275 ( -3.731 0.000 0.000) 3.731 6.328 ( -15.209 0.000 0.000) 15.209 6.434 ( -9.097 0.000 0.000) 9.097 6.666 ( 23.316 0.000 0.000) 23.316 6.702 ( 3.072 0.000 0.000) 3.072 7.144 ( -25.136 0.000 0.000) 25.136 7.558 ( 7.617 0.000 0.000) 7.617 7.597 ( 5.919 0.000 0.000) 5.919 7.991 ( -33.069 0.000 0.000) 33.069 8.029 ( 11.399 0.000 0.000) 11.399 8.050 ( 1.556 0.000 0.000) 1.556 8.065 ( 14.068 0.000 0.000) 14.068 8.190 ( -0.103 0.000 0.000) 0.103 8.378 ( -6.563 0.000 0.000) 6.563 8.569 ( 11.098 0.000 0.000) 11.098 8.623 ( -6.793 0.000 0.000) 6.793 8.706 ( -18.588 0.000 0.000) 18.588 8.872 ( -9.477 0.000 0.000) 9.477 8.926 ( 3.942 0.000 0.000) 3.942 9.101 ( -3.777 0.000 0.000) 3.777 9.150 ( -5.371 0.000 0.000) 5.371 9.559 ( 19.803 0.000 0.000) 19.803 10.052 ( -0.965 0.000 0.000) 0.965 10.088 ( 3.597 0.000 0.000) 3.597 10.217 ( 5.706 0.000 0.000) 5.706 10.599 ( 12.887 0.000 0.000) 12.887 10.715 ( 8.342 0.000 0.000) 8.342 10.930 ( 18.046 0.000 0.000) 18.046 11.200 ( -10.078 0.000 0.000) 10.078 11.230 ( -6.775 0.000 0.000) 6.775 11.562 ( -12.273 0.000 0.000) 12.273 11.623 ( 15.620 0.000 0.000) 15.620 11.686 ( 14.260 0.000 0.000) 14.260 12.230 ( -2.308 0.000 0.000) 2.308 12.262 ( 11.471 0.000 0.000) 11.471 12.270 ( -6.813 0.000 0.000) 6.813 12.412 ( 4.810 0.000 0.000) 4.810 12.481 ( 10.435 0.000 0.000) 10.435 12.551 ( -6.688 0.000 0.000) 6.688 12.685 ( 11.050 0.000 0.000) 11.050 12.753 ( -11.251 0.000 0.000) 11.251 13.018 ( 2.149 0.000 0.000) 2.149 13.175 ( -7.944 0.000 0.000) 7.944 13.227 ( -11.854 0.000 0.000) 11.854 13.273 ( -8.473 0.000 0.000) 8.473 13.418 ( -2.084 0.000 0.000) 2.084 13.559 ( -3.344 0.000 0.000) 3.344 14.361 ( 8.663 0.000 0.000) 8.663 14.736 ( -7.705 0.000 0.000) 7.705 15.238 ( 4.061 0.000 0.000) 4.061 15.354 ( 5.171 0.000 0.000) 5.171 15.547 ( -9.983 0.000 0.000) 9.983 15.686 ( -10.632 0.000 0.000) 10.632 16.203 ( 2.032 0.000 0.000) 2.032 16.268 ( 0.343 0.000 0.000) 0.343 16.622 ( 5.331 0.000 0.000) 5.331 16.907 ( 5.912 0.000 0.000) 5.912 16.911 ( -5.981 0.000 0.000) 5.981 17.304 ( -13.098 0.000 0.000) 13.098 17.446 ( 4.893 0.000 0.000) 4.893 17.646 ( -3.120 0.000 0.000) 3.120 17.938 ( 0.410 0.000 0.000) 0.410 17.959 ( -0.136 0.000 0.000) 0.136 18.139 ( 2.512 0.000 0.000) 2.512 18.174 ( 0.274 0.000 0.000) 0.274 18.229 ( 1.433 0.000 0.000) 1.433 18.326 ( -3.354 0.000 0.000) 3.354 19.551 ( 4.840 0.000 0.000) 4.840 19.578 ( 4.103 0.000 0.000) 4.103 19.806 ( 10.018 0.000 0.000) 10.018 20.417 ( -17.124 0.000 0.000) 17.124 20.632 ( 8.223 0.000 0.000) 8.223 20.691 ( 10.095 0.000 0.000) 10.095 21.133 ( -8.908 0.000 0.000) 8.908 21.168 ( -16.006 0.000 0.000) 16.006 22.358 ( 9.330 0.000 0.000) 9.330 22.582 ( -1.830 0.000 0.000) 1.830 23.031 ( 8.846 0.000 0.000) 8.846 23.544 ( -12.305 0.000 0.000) 12.305 25.559 ( 0.389 0.000 0.000) 0.389 25.597 ( 13.144 0.000 0.000) 13.144 25.614 ( -1.955 0.000 0.000) 1.955 26.024 ( 9.968 0.000 0.000) 9.968 26.074 ( -9.201 0.000 0.000) 9.201 26.351 ( -3.184 0.000 0.000) 3.184 26.361 ( 8.608 0.000 0.000) 8.608 26.754 ( -8.943 0.000 0.000) 8.943 26.919 ( 11.921 0.000 0.000) 11.921 27.320 ( -1.193 0.000 0.000) 1.193 27.433 ( -1.644 0.000 0.000) 1.644 27.453 ( 4.390 0.000 0.000) 4.390 27.561 ( -9.729 0.000 0.000) 9.729 27.596 ( -1.520 0.000 0.000) 1.520 28.003 ( 3.858 0.000 0.000) 3.858 28.075 ( -2.366 0.000 0.000) 2.366 28.093 ( -1.525 0.000 0.000) 1.525 28.125 ( -2.545 0.000 0.000) 2.545 28.687 ( 4.211 0.000 0.000) 4.211 28.745 ( 4.225 0.000 0.000) 4.225 28.784 ( 0.163 0.000 0.000) 0.163 28.833 ( -1.867 0.000 0.000) 1.867 28.949 ( 2.175 0.000 0.000) 2.175 28.950 ( 2.738 0.000 0.000) 2.738 29.345 ( 4.405 0.000 0.000) 4.405 29.364 ( 1.812 0.000 0.000) 1.812 29.488 ( 8.423 0.000 0.000) 8.423 29.713 ( -2.579 0.000 0.000) 2.579 29.732 ( -3.675 0.000 0.000) 3.675 29.945 ( -8.340 0.000 0.000) 8.340 30.186 ( 0.376 0.000 0.000) 0.376 30.187 ( 0.581 0.000 0.000) 0.581 30.338 ( 1.854 0.000 0.000) 1.854 30.503 ( 1.334 0.000 0.000) 1.334 31.021 ( 18.272 0.000 0.000) 18.272 31.238 ( -2.017 0.000 0.000) 2.017 31.439 ( -9.335 0.000 0.000) 9.335 31.843 ( -18.392 0.000 0.000) 18.392 32.408 ( 1.749 0.000 0.000) 1.749 32.573 ( -7.004 0.000 0.000) 7.004 32.579 ( 9.515 0.000 0.000) 9.515 32.900 ( 3.329 0.000 0.000) 3.329 32.963 ( -2.340 0.000 0.000) 2.340 33.027 ( 1.529 0.000 0.000) 1.529 33.048 ( 1.231 0.000 0.000) 1.231 33.257 ( -8.005 0.000 0.000) 8.005 33.352 ( 10.193 0.000 0.000) 10.193 33.822 ( -10.168 0.000 0.000) 10.168 34.839 ( 10.445 0.000 0.000) 10.445 35.355 ( -12.182 0.000 0.000) 12.182 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -40.112 0.000 0.000) 40.112 2.341 ( 40.112 0.000 0.000) 40.112 2.837 ( -30.794 0.000 0.000) 30.794 2.837 ( 30.794 0.000 0.000) 30.794 3.485 ( -12.352 0.000 0.000) 12.352 3.485 ( 12.352 0.000 0.000) 12.352 3.994 ( -5.685 0.000 0.000) 5.685 3.994 ( 5.685 0.000 0.000) 5.685 4.114 ( -27.257 0.000 0.000) 27.257 4.114 ( 27.257 0.000 0.000) 27.257 4.547 ( -19.203 0.000 0.000) 19.203 4.547 ( 19.203 0.000 0.000) 19.203 4.750 ( -6.152 0.000 0.000) 6.152 4.750 ( 6.152 0.000 0.000) 6.152 5.035 ( -2.291 0.000 0.000) 2.291 5.035 ( 2.291 0.000 0.000) 2.291 5.071 ( -3.013 0.000 0.000) 3.013 5.071 ( 3.013 0.000 0.000) 3.013 5.128 ( -12.606 0.000 0.000) 12.606 5.128 ( 12.606 0.000 0.000) 12.606 5.212 ( -12.021 0.000 0.000) 12.021 5.212 ( 12.021 0.000 0.000) 12.021 5.519 ( -4.459 0.000 0.000) 4.459 5.519 ( 4.459 0.000 0.000) 4.459 5.775 ( -26.684 0.000 0.000) 26.684 5.775 ( 26.684 0.000 0.000) 26.684 5.935 ( -0.371 0.000 0.000) 0.371 5.935 ( 0.371 0.000 0.000) 0.371 6.288 ( -4.379 0.000 0.000) 4.379 6.288 ( 4.379 0.000 0.000) 4.379 6.786 ( -6.092 0.000 0.000) 6.092 6.786 ( 6.092 0.000 0.000) 6.092 7.302 ( -31.359 0.000 0.000) 31.359 7.302 ( 31.359 0.000 0.000) 31.359 7.665 ( -1.241 0.000 0.000) 1.241 7.665 ( 1.241 0.000 0.000) 1.241 8.098 ( -2.921 0.000 0.000) 2.921 8.098 ( 2.921 0.000 0.000) 2.921 8.243 ( -8.196 0.000 0.000) 8.196 8.243 ( 8.196 0.000 0.000) 8.196 8.391 ( -12.359 0.000 0.000) 12.359 8.391 ( 12.359 0.000 0.000) 12.359 8.576 ( -3.538 0.000 0.000) 3.538 8.576 ( 3.538 0.000 0.000) 3.538 8.943 ( -10.188 0.000 0.000) 10.188 8.943 ( 10.188 0.000 0.000) 10.188 9.027 ( -5.725 0.000 0.000) 5.725 9.027 ( 5.725 0.000 0.000) 5.725 9.909 ( -12.678 0.000 0.000) 12.678 9.909 ( 12.678 0.000 0.000) 12.678 10.182 ( -4.978 0.000 0.000) 4.978 10.182 ( 4.978 0.000 0.000) 4.978 10.893 ( -15.482 0.000 0.000) 15.482 10.893 ( 15.482 0.000 0.000) 15.482 10.997 ( -14.928 0.000 0.000) 14.928 10.997 ( 14.928 0.000 0.000) 14.928 11.290 ( -15.089 0.000 0.000) 15.089 11.290 ( 15.089 0.000 0.000) 15.089 11.907 ( -5.052 0.000 0.000) 5.052 11.907 ( 5.052 0.000 0.000) 5.052 12.133 ( -2.163 0.000 0.000) 2.163 12.133 ( 2.163 0.000 0.000) 2.163 12.409 ( -6.205 0.000 0.000) 6.205 12.409 ( 6.205 0.000 0.000) 6.205 12.545 ( -8.223 0.000 0.000) 8.223 12.545 ( 8.223 0.000 0.000) 8.223 12.809 ( -13.639 0.000 0.000) 13.639 12.809 ( 13.639 0.000 0.000) 13.639 12.975 ( -6.259 0.000 0.000) 6.259 12.975 ( 6.259 0.000 0.000) 6.259 13.109 ( -6.552 0.000 0.000) 6.552 13.109 ( 6.552 0.000 0.000) 6.552 13.486 ( -4.184 0.000 0.000) 4.184 13.486 ( 4.184 0.000 0.000) 4.184 14.553 ( -9.477 0.000 0.000) 9.477 14.553 ( 9.477 0.000 0.000) 9.477 15.361 ( -7.643 0.000 0.000) 7.643 15.361 ( 7.643 0.000 0.000) 7.643 15.490 ( -8.038 0.000 0.000) 8.038 15.490 ( 8.038 0.000 0.000) 8.038 16.246 ( -1.986 0.000 0.000) 1.986 16.246 ( 1.986 0.000 0.000) 1.986 16.760 ( -7.633 0.000 0.000) 7.633 16.760 ( 7.633 0.000 0.000) 7.633 17.066 ( -9.594 0.000 0.000) 9.594 17.066 ( 9.594 0.000 0.000) 9.594 17.558 ( -5.173 0.000 0.000) 5.173 17.558 ( 5.173 0.000 0.000) 5.173 17.950 ( -0.618 0.000 0.000) 0.618 17.950 ( 0.618 0.000 0.000) 0.618 18.172 ( -0.709 0.000 0.000) 0.709 18.172 ( 0.709 0.000 0.000) 0.709 18.268 ( -2.306 0.000 0.000) 2.306 18.268 ( 2.306 0.000 0.000) 2.306 19.613 ( -0.840 0.000 0.000) 0.840 19.613 ( 0.840 0.000 0.000) 0.840 20.072 ( -15.347 0.000 0.000) 15.347 20.072 ( 15.347 0.000 0.000) 15.347 20.859 ( -13.417 0.000 0.000) 13.417 20.859 ( 13.417 0.000 0.000) 13.417 20.916 ( -11.255 0.000 0.000) 11.255 20.916 ( 11.255 0.000 0.000) 11.255 22.510 ( -5.350 0.000 0.000) 5.350 22.510 ( 5.350 0.000 0.000) 5.350 23.269 ( -13.313 0.000 0.000) 13.313 23.269 ( 13.314 0.000 0.000) 13.314 25.578 ( -1.404 0.000 0.000) 1.404 25.578 ( 1.404 0.000 0.000) 1.404 25.854 ( -11.626 0.000 0.000) 11.626 25.854 ( 11.626 0.000 0.000) 11.626 26.229 ( -8.613 0.000 0.000) 8.613 26.229 ( 8.613 0.000 0.000) 8.613 26.556 ( -9.864 0.000 0.000) 9.864 26.556 ( 9.864 0.000 0.000) 9.864 27.198 ( -12.625 0.000 0.000) 12.625 27.198 ( 12.625 0.000 0.000) 12.625 27.413 ( -1.293 0.000 0.000) 1.293 27.413 ( 1.293 0.000 0.000) 1.293 27.541 ( -3.713 0.000 0.000) 3.713 27.541 ( 3.713 0.000 0.000) 3.713 28.063 ( -0.940 0.000 0.000) 0.940 28.063 ( 0.940 0.000 0.000) 0.940 28.074 ( -2.799 0.000 0.000) 2.799 28.074 ( 2.799 0.000 0.000) 2.799 28.773 ( -2.181 0.000 0.000) 2.181 28.773 ( 2.181 0.000 0.000) 2.181 28.798 ( -1.276 0.000 0.000) 1.276 28.798 ( 1.276 0.000 0.000) 1.276 28.980 ( -0.235 0.000 0.000) 0.235 28.980 ( 0.235 0.000 0.000) 0.235 29.351 ( -0.771 0.000 0.000) 0.771 29.351 ( 0.771 0.000 0.000) 0.771 29.685 ( -0.423 0.000 0.000) 0.423 29.685 ( 0.423 0.000 0.000) 0.423 29.742 ( -11.707 0.000 0.000) 11.707 29.742 ( 11.707 0.000 0.000) 11.707 30.192 ( -0.079 0.000 0.000) 0.079 30.192 ( 0.079 0.000 0.000) 0.079 30.438 ( -6.266 0.000 0.000) 6.266 30.438 ( 6.266 0.000 0.000) 6.266 31.283 ( -5.677 0.000 0.000) 5.677 31.283 ( 5.677 0.000 0.000) 5.677 31.433 ( -20.605 0.000 0.000) 20.605 31.433 ( 20.605 0.000 0.000) 20.605 32.451 ( -3.771 0.000 0.000) 3.771 32.451 ( 3.771 0.000 0.000) 3.771 32.779 ( -9.159 0.000 0.000) 9.159 32.779 ( 9.159 0.000 0.000) 9.159 33.057 ( -0.681 0.000 0.000) 0.681 33.057 ( 0.681 0.000 0.000) 0.681 33.083 ( -8.328 0.000 0.000) 8.328 33.083 ( 8.328 0.000 0.000) 8.328 33.588 ( -11.891 0.000 0.000) 11.891 33.588 ( 11.891 0.000 0.000) 11.891 35.087 ( -13.038 0.000 0.000) 13.038 35.087 ( 13.038 0.000 0.000) 13.038 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 41.565 0.000) 41.565 0.973 ( 0.000 44.983 0.000) 44.983 1.822 ( 0.000 79.057 0.000) 79.057 2.984 ( 0.000 -2.472 0.000) 2.472 3.443 ( 0.000 15.899 0.000) 15.899 3.641 ( 0.000 5.156 0.000) 5.156 3.735 ( 0.000 -3.092 0.000) 3.092 3.743 ( 0.000 0.241 0.000) 0.241 3.956 ( 0.000 -8.069 0.000) 8.069 4.083 ( 0.000 -12.859 0.000) 12.859 4.304 ( 0.000 -2.351 0.000) 2.351 4.319 ( 0.000 -22.871 0.000) 22.871 4.720 ( 0.000 -2.246 0.000) 2.246 4.907 ( 0.000 9.970 0.000) 9.970 4.920 ( 0.000 2.454 0.000) 2.454 4.921 ( 0.000 7.854 0.000) 7.854 5.141 ( 0.000 -12.118 0.000) 12.118 5.188 ( 0.000 -6.894 0.000) 6.894 5.246 ( 0.000 3.549 0.000) 3.549 5.481 ( 0.000 -1.109 0.000) 1.109 5.521 ( 0.000 3.751 0.000) 3.751 5.569 ( 0.000 -17.802 0.000) 17.802 5.678 ( 0.000 4.127 0.000) 4.127 5.934 ( 0.000 -6.652 0.000) 6.652 6.075 ( 0.000 17.569 0.000) 17.569 6.125 ( 0.000 3.922 0.000) 3.922 6.226 ( 0.000 11.491 0.000) 11.491 6.319 ( 0.000 10.333 0.000) 10.333 6.531 ( 0.000 -5.724 0.000) 5.724 6.559 ( 0.000 7.708 0.000) 7.708 6.663 ( 0.000 -4.847 0.000) 4.847 6.841 ( 0.000 11.140 0.000) 11.140 7.212 ( 0.000 8.702 0.000) 8.702 7.376 ( 0.000 -19.261 0.000) 19.261 7.452 ( 0.000 -6.467 0.000) 6.467 7.466 ( 0.000 -5.915 0.000) 5.915 7.883 ( 0.000 -21.688 0.000) 21.688 7.887 ( 0.000 -10.509 0.000) 10.509 7.911 ( 0.000 -10.910 0.000) 10.910 8.364 ( 0.000 -3.706 0.000) 3.706 8.600 ( 0.000 18.335 0.000) 18.335 8.607 ( 0.000 -4.547 0.000) 4.547 8.838 ( 0.000 6.632 0.000) 6.632 8.847 ( 0.000 -13.204 0.000) 13.204 9.266 ( 0.000 1.812 0.000) 1.812 9.273 ( 0.000 16.840 0.000) 16.840 9.336 ( 0.000 -11.497 0.000) 11.497 9.415 ( 0.000 1.823 0.000) 1.823 9.442 ( 0.000 -16.948 0.000) 16.948 9.465 ( 0.000 0.798 0.000) 0.798 9.811 ( 0.000 15.672 0.000) 15.672 9.927 ( 0.000 -1.906 0.000) 1.906 10.004 ( 0.000 4.409 0.000) 4.409 10.767 ( 0.000 22.605 0.000) 22.605 10.853 ( 0.000 -15.452 0.000) 15.452 10.877 ( 0.000 5.622 0.000) 5.622 10.923 ( 0.000 -2.327 0.000) 2.327 11.379 ( 0.000 9.448 0.000) 9.448 11.630 ( 0.000 -5.357 0.000) 5.357 11.780 ( 0.000 -11.377 0.000) 11.377 11.878 ( 0.000 -23.640 0.000) 23.640 12.162 ( 0.000 -5.405 0.000) 5.405 12.230 ( 0.000 0.402 0.000) 0.402 12.312 ( 0.000 1.123 0.000) 1.123 12.323 ( 0.000 -7.430 0.000) 7.430 12.432 ( 0.000 2.038 0.000) 2.038 12.947 ( 0.000 11.490 0.000) 11.490 13.149 ( 0.000 6.412 0.000) 6.412 13.182 ( 0.000 11.710 0.000) 11.710 13.424 ( 0.000 12.415 0.000) 12.415 13.456 ( 0.000 14.458 0.000) 14.458 13.462 ( 0.000 0.440 0.000) 0.440 13.812 ( 0.000 10.472 0.000) 10.472 13.887 ( 0.000 7.101 0.000) 7.101 14.054 ( 0.000 3.053 0.000) 3.053 14.830 ( 0.000 -6.476 0.000) 6.476 14.954 ( 0.000 -0.384 0.000) 0.384 15.319 ( 0.000 0.390 0.000) 0.390 15.752 ( 0.000 -11.236 0.000) 11.236 15.958 ( 0.000 -10.640 0.000) 10.640 16.097 ( 0.000 6.356 0.000) 6.356 16.206 ( 0.000 2.002 0.000) 2.002 16.531 ( 0.000 -13.303 0.000) 13.303 16.565 ( 0.000 2.981 0.000) 2.981 17.192 ( 0.000 12.547 0.000) 12.547 17.554 ( 0.000 10.994 0.000) 10.994 17.624 ( 0.000 -19.444 0.000) 19.444 17.629 ( 0.000 -8.190 0.000) 8.190 17.719 ( 0.000 -8.761 0.000) 8.761 17.979 ( 0.000 -8.650 0.000) 8.650 18.007 ( 0.000 -12.475 0.000) 12.475 18.179 ( 0.000 4.593 0.000) 4.593 18.285 ( 0.000 -11.307 0.000) 11.307 18.397 ( 0.000 11.748 0.000) 11.748 19.154 ( 0.000 10.358 0.000) 10.358 19.227 ( 0.000 -11.729 0.000) 11.729 19.541 ( 0.000 -3.524 0.000) 3.524 20.593 ( 0.000 -6.361 0.000) 6.361 20.644 ( 0.000 20.569 0.000) 20.569 21.056 ( 0.000 11.599 0.000) 11.599 21.399 ( 0.000 10.744 0.000) 10.744 21.647 ( 0.000 -10.079 0.000) 10.079 21.749 ( 0.000 -8.329 0.000) 8.329 22.532 ( 0.000 -6.701 0.000) 6.701 23.264 ( 0.000 26.419 0.000) 26.419 23.978 ( 0.000 4.988 0.000) 4.988 25.244 ( 0.000 -0.524 0.000) 0.524 25.378 ( 0.000 -13.590 0.000) 13.590 25.644 ( 0.000 0.504 0.000) 0.504 25.879 ( 0.000 8.167 0.000) 8.167 26.124 ( 0.000 -3.101 0.000) 3.101 26.458 ( 0.000 4.215 0.000) 4.215 26.783 ( 0.000 7.567 0.000) 7.567 26.859 ( 0.000 -2.537 0.000) 2.537 27.038 ( 0.000 5.890 0.000) 5.890 27.340 ( 0.000 -0.157 0.000) 0.157 27.358 ( 0.000 1.813 0.000) 1.813 27.483 ( 0.000 3.115 0.000) 3.115 27.588 ( 0.000 -2.315 0.000) 2.315 27.672 ( 0.000 -8.002 0.000) 8.002 27.883 ( 0.000 -1.811 0.000) 1.811 27.963 ( 0.000 -3.306 0.000) 3.306 28.095 ( 0.000 -3.255 0.000) 3.255 28.252 ( 0.000 8.166 0.000) 8.166 28.320 ( 0.000 4.958 0.000) 4.958 28.564 ( 0.000 -2.665 0.000) 2.665 28.672 ( 0.000 -2.812 0.000) 2.812 28.728 ( 0.000 -2.233 0.000) 2.233 28.772 ( 0.000 -11.314 0.000) 11.314 28.910 ( 0.000 0.629 0.000) 0.629 28.946 ( 0.000 4.205 0.000) 4.205 29.175 ( 0.000 0.227 0.000) 0.227 29.450 ( 0.000 -3.457 0.000) 3.457 29.531 ( 0.000 2.352 0.000) 2.352 29.803 ( 0.000 -4.424 0.000) 4.424 29.842 ( 0.000 1.053 0.000) 1.053 29.986 ( 0.000 -11.972 0.000) 11.972 30.117 ( 0.000 -15.853 0.000) 15.853 30.246 ( 0.000 2.919 0.000) 2.919 30.299 ( 0.000 -5.202 0.000) 5.202 30.855 ( 0.000 14.321 0.000) 14.321 31.652 ( 0.000 5.888 0.000) 5.888 31.742 ( 0.000 -10.173 0.000) 10.173 32.021 ( 0.000 -10.400 0.000) 10.400 32.393 ( 0.000 5.589 0.000) 5.589 32.598 ( 0.000 -8.432 0.000) 8.432 32.831 ( 0.000 1.746 0.000) 1.746 32.999 ( 0.000 -2.400 0.000) 2.400 33.028 ( 0.000 8.872 0.000) 8.872 33.081 ( 0.000 -6.834 0.000) 6.834 33.159 ( 0.000 12.708 0.000) 12.708 33.212 ( 0.000 2.817 0.000) 2.817 33.344 ( 0.000 10.583 0.000) 10.583 34.288 ( 0.000 18.494 0.000) 18.494 34.511 ( 0.000 -8.729 0.000) 8.729 35.658 ( 0.000 -6.064 0.000) 6.064 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 22.903 34.918 0.000) 41.759 1.400 ( 34.195 29.076 0.000) 44.885 2.269 ( 40.621 57.532 0.000) 70.427 3.168 ( 15.273 9.001 0.000) 17.727 3.491 ( 1.810 -2.380 0.000) 2.990 3.624 ( 8.636 -2.446 0.000) 8.975 3.823 ( -11.234 -4.661 0.000) 12.163 3.906 ( 18.170 7.327 0.000) 19.592 3.931 ( -20.153 -1.580 0.000) 20.215 4.042 ( 17.606 -2.945 0.000) 17.851 4.141 ( -8.805 -8.840 0.000) 12.477 4.371 ( 2.949 -21.700 0.000) 21.899 4.672 ( -18.851 6.882 0.000) 20.068 4.719 ( 2.837 -10.026 0.000) 10.420 4.777 ( -0.606 -0.937 0.000) 1.116 4.920 ( -5.402 7.365 0.000) 9.134 5.186 ( -2.525 6.593 0.000) 7.060 5.223 ( 1.796 -6.402 0.000) 6.649 5.312 ( -0.190 -1.068 0.000) 1.085 5.426 ( 2.681 -5.298 0.000) 5.937 5.466 ( -13.160 -0.324 0.000) 13.164 5.532 ( -0.697 7.445 0.000) 7.477 5.594 ( -0.259 -11.947 0.000) 11.950 5.933 ( -0.533 -2.824 0.000) 2.874 5.944 ( -12.838 4.078 0.000) 13.470 6.112 ( -11.281 21.456 0.000) 24.241 6.133 ( 1.048 15.264 0.000) 15.300 6.332 ( 2.640 8.319 0.000) 8.728 6.469 ( -15.332 -1.528 0.000) 15.408 6.551 ( 2.493 -6.788 0.000) 7.231 6.583 ( 0.619 8.850 0.000) 8.872 6.717 ( -10.361 6.866 0.000) 12.429 7.312 ( 7.503 -6.259 0.000) 9.771 7.342 ( -5.555 -11.695 0.000) 12.947 7.498 ( 3.457 -8.847 0.000) 9.499 7.650 ( 15.799 -3.606 0.000) 16.206 7.764 ( -4.036 -12.925 0.000) 13.540 7.872 ( -0.704 -19.775 0.000) 19.788 8.137 ( 10.001 -8.626 0.000) 13.207 8.340 ( -2.151 -7.678 0.000) 7.974 8.412 ( -5.452 20.872 0.000) 21.572 8.562 ( -8.122 0.622 0.000) 8.146 8.805 ( -18.570 -15.084 0.000) 23.924 8.952 ( 0.741 -6.438 0.000) 6.481 8.989 ( -5.684 -5.300 0.000) 7.772 9.067 ( -8.136 -6.888 0.000) 10.661 9.249 ( -2.904 7.951 0.000) 8.465 9.321 ( -0.651 23.921 0.000) 23.930 9.432 ( 0.210 8.713 0.000) 8.716 9.820 ( 9.983 -12.373 0.000) 15.898 9.891 ( 8.428 2.720 0.000) 8.856 9.998 ( 6.515 1.093 0.000) 6.606 10.278 ( 17.896 3.760 0.000) 18.287 10.789 ( -3.772 0.145 0.000) 3.775 10.927 ( 8.247 21.358 0.000) 22.894 10.967 ( 7.357 -19.272 0.000) 20.628 10.991 ( 8.199 -1.598 0.000) 8.354 11.403 ( 6.610 2.943 0.000) 7.235 11.476 ( -10.714 -13.428 0.000) 17.179 11.899 ( 18.516 -1.191 0.000) 18.555 12.061 ( -3.390 -9.248 0.000) 9.850 12.141 ( -1.627 -7.162 0.000) 7.344 12.179 ( -1.048 -0.259 0.000) 1.080 12.285 ( 1.194 -5.179 0.000) 5.315 12.423 ( 5.582 1.526 0.000) 5.787 12.500 ( 8.387 4.241 0.000) 9.399 12.803 ( -8.192 11.366 0.000) 14.011 13.084 ( -7.052 9.997 0.000) 12.234 13.106 ( -5.300 6.372 0.000) 8.289 13.378 ( -5.168 5.924 0.000) 7.862 13.440 ( -1.577 6.690 0.000) 6.874 13.491 ( 2.766 15.115 0.000) 15.366 13.715 ( -13.655 6.640 0.000) 15.183 13.766 ( -4.011 10.349 0.000) 11.099 14.168 ( 6.909 0.109 0.000) 6.910 14.786 ( -4.244 -6.592 0.000) 7.840 15.050 ( 5.037 -6.151 0.000) 7.950 15.325 ( 2.276 2.651 0.000) 3.494 15.630 ( -9.367 -10.198 0.000) 13.847 15.946 ( -4.856 -3.906 0.000) 6.232 16.051 ( -1.338 -1.525 0.000) 2.029 16.201 ( -0.628 -1.249 0.000) 1.397 16.581 ( 4.359 -11.363 0.000) 12.171 16.612 ( 3.764 4.283 0.000) 5.702 17.196 ( -0.258 9.656 0.000) 9.659 17.483 ( -10.852 -6.899 0.000) 12.860 17.507 ( -2.394 6.020 0.000) 6.479 17.697 ( 5.333 -11.809 0.000) 12.957 17.711 ( -1.690 -6.248 0.000) 6.472 17.970 ( 0.364 -2.642 0.000) 2.667 18.043 ( 1.592 -11.409 0.000) 11.519 18.170 ( -1.058 1.558 0.000) 1.884 18.275 ( -0.599 -7.504 0.000) 7.528 18.293 ( -4.471 12.007 0.000) 12.812 19.275 ( 4.070 -12.632 0.000) 13.271 19.337 ( 8.983 -3.276 0.000) 9.561 19.610 ( 7.083 -0.998 0.000) 7.153 20.523 ( 1.444 3.769 0.000) 4.036 20.819 ( 7.870 14.447 0.000) 16.452 20.907 ( -13.086 11.046 0.000) 17.125 21.368 ( -3.738 8.458 0.000) 9.247 21.466 ( -11.019 -1.429 0.000) 11.111 21.924 ( 10.254 -12.794 0.000) 16.396 22.502 ( -2.385 -7.768 0.000) 8.126 23.273 ( 1.750 26.081 0.000) 26.139 23.907 ( -5.723 10.401 0.000) 11.872 25.326 ( 6.272 -5.233 0.000) 8.168 25.393 ( 0.777 -13.738 0.000) 13.760 25.652 ( 1.488 3.243 0.000) 3.568 25.945 ( 6.317 8.737 0.000) 10.781 26.182 ( 5.382 -2.700 0.000) 6.021 26.399 ( -6.808 5.207 0.000) 8.571 26.606 ( -12.184 20.304 0.000) 23.679 26.822 ( 4.270 6.710 0.000) 7.953 26.869 ( -5.676 -2.609 0.000) 6.247 27.352 ( 2.428 -1.636 0.000) 2.928 27.353 ( -0.442 1.763 0.000) 1.818 27.485 ( -0.189 2.941 0.000) 2.947 27.590 ( -0.199 -1.748 0.000) 1.759 27.654 ( -1.759 -6.648 0.000) 6.877 27.918 ( 3.186 -1.163 0.000) 3.392 28.082 ( -1.374 -1.794 0.000) 2.260 28.117 ( -0.532 -1.686 0.000) 1.768 28.263 ( -4.519 4.831 0.000) 6.615 28.484 ( 11.572 -16.225 0.000) 19.929 28.604 ( 3.581 -3.241 0.000) 4.830 28.618 ( 4.455 -6.718 0.000) 8.060 28.771 ( 3.294 -1.681 0.000) 3.698 28.887 ( -0.850 1.562 0.000) 1.778 28.919 ( -1.744 2.267 0.000) 2.860 29.080 ( 13.999 -5.103 0.000) 14.901 29.235 ( 4.562 -1.528 0.000) 4.811 29.438 ( -2.106 -4.444 0.000) 4.917 29.710 ( 14.215 -11.811 0.000) 18.481 29.767 ( -3.281 -4.753 0.000) 5.775 29.818 ( -1.597 1.454 0.000) 2.160 29.915 ( -6.227 -12.555 0.000) 14.015 30.193 ( 6.577 -14.570 0.000) 15.986 30.227 ( -1.779 0.572 0.000) 1.869 30.310 ( 1.083 -1.704 0.000) 2.019 30.935 ( 8.003 13.939 0.000) 16.073 31.574 ( -7.528 10.991 0.000) 13.322 31.594 ( -9.956 -5.542 0.000) 11.395 32.107 ( 2.672 -10.990 0.000) 11.310 32.320 ( -5.551 6.679 0.000) 8.685 32.499 ( -6.620 -5.362 0.000) 8.519 32.810 ( -4.894 10.503 0.000) 11.587 32.833 ( 0.866 -0.692 0.000) 1.109 32.942 ( -4.644 -5.874 0.000) 7.488 32.974 ( -2.336 4.603 0.000) 5.162 33.171 ( -2.419 10.112 0.000) 10.398 33.367 ( 0.583 -2.894 0.000) 2.952 33.423 ( 8.087 14.856 0.000) 16.914 34.214 ( -6.283 18.149 0.000) 19.206 34.576 ( 6.149 -8.183 0.000) 10.236 35.522 ( -10.119 -4.710 0.000) 11.161 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 27.822 21.936 0.000) 35.430 2.167 ( 36.264 13.479 0.000) 38.688 3.148 ( 30.634 34.637 0.000) 46.241 3.267 ( -33.624 7.600 0.000) 34.472 3.371 ( -0.258 -2.960 0.000) 2.971 3.624 ( 19.818 5.245 0.000) 20.500 3.667 ( -7.560 -2.137 0.000) 7.856 3.950 ( 11.859 -2.446 0.000) 12.109 4.001 ( -5.795 -8.871 0.000) 10.596 4.216 ( -1.338 2.450 0.000) 2.791 4.410 ( 22.354 -0.570 0.000) 22.361 4.425 ( 0.996 -13.483 0.000) 13.520 4.563 ( 23.206 -2.113 0.000) 23.302 4.696 ( -9.258 -1.346 0.000) 9.355 4.826 ( 1.456 -0.945 0.000) 1.736 4.831 ( 0.938 -9.812 0.000) 9.856 5.086 ( -10.416 -3.424 0.000) 10.965 5.201 ( -4.926 6.618 0.000) 8.251 5.229 ( -1.514 6.179 0.000) 6.362 5.242 ( -2.646 2.716 0.000) 3.792 5.441 ( -4.636 3.124 0.000) 5.590 5.514 ( -10.374 -0.808 0.000) 10.406 5.522 ( -2.201 4.477 0.000) 4.989 5.617 ( -14.247 -2.463 0.000) 14.458 5.747 ( -8.204 11.129 0.000) 13.826 6.058 ( 4.620 0.768 0.000) 4.683 6.138 ( -0.546 16.338 0.000) 16.347 6.235 ( -6.864 7.355 0.000) 10.060 6.368 ( -6.873 -0.314 0.000) 6.880 6.473 ( -10.814 7.362 0.000) 13.082 6.604 ( 1.134 -4.317 0.000) 4.463 6.609 ( 1.989 -8.091 0.000) 8.332 7.049 ( -13.659 -4.044 0.000) 14.245 7.395 ( -0.715 -17.527 0.000) 17.541 7.580 ( 5.381 -2.112 0.000) 5.780 7.833 ( 6.523 -10.497 0.000) 12.359 7.857 ( -4.341 -6.505 0.000) 7.821 7.885 ( -0.042 -8.935 0.000) 8.935 8.204 ( -5.675 3.749 0.000) 6.801 8.229 ( 4.289 0.808 0.000) 4.364 8.335 ( 1.587 -6.564 0.000) 6.753 8.505 ( 4.825 -2.529 0.000) 5.448 8.621 ( -15.785 -6.386 0.000) 17.028 8.640 ( -4.241 -8.486 0.000) 9.487 8.924 ( -5.282 4.806 0.000) 7.141 8.998 ( -0.041 -3.034 0.000) 3.034 9.263 ( -3.456 22.991 0.000) 23.249 9.332 ( -4.098 15.002 0.000) 15.552 9.503 ( 13.368 -3.175 0.000) 13.739 9.880 ( -2.339 -11.682 0.000) 11.914 10.102 ( 9.435 -4.924 0.000) 10.642 10.136 ( 5.428 3.132 0.000) 6.266 10.523 ( 4.348 -0.228 0.000) 4.354 10.835 ( 11.496 1.934 0.000) 11.657 10.937 ( -11.843 -12.148 0.000) 16.966 11.094 ( 3.101 -11.792 0.000) 12.193 11.188 ( 14.612 19.656 0.000) 24.492 11.541 ( 11.448 -12.747 0.000) 17.133 11.640 ( 14.590 -0.491 0.000) 14.598 11.856 ( -9.678 16.006 0.000) 18.705 12.052 ( -2.354 -11.176 0.000) 11.422 12.183 ( -2.356 -8.648 0.000) 8.963 12.298 ( 10.669 -0.914 0.000) 10.708 12.387 ( 10.905 0.048 0.000) 10.905 12.530 ( 5.784 1.814 0.000) 6.062 12.562 ( -5.321 1.181 0.000) 5.450 12.740 ( -3.607 2.698 0.000) 4.505 12.811 ( -7.119 5.044 0.000) 8.725 13.104 ( 1.808 7.611 0.000) 7.822 13.224 ( -8.736 4.798 0.000) 9.967 13.374 ( -16.680 12.399 0.000) 20.784 13.375 ( -5.381 9.859 0.000) 11.232 13.572 ( 3.493 13.608 0.000) 14.049 13.679 ( -3.463 10.208 0.000) 10.779 14.310 ( 7.205 -3.542 0.000) 8.029 14.658 ( -7.849 -6.862 0.000) 10.426 15.133 ( 4.127 -7.212 0.000) 8.310 15.425 ( -9.654 -9.103 0.000) 13.269 15.425 ( 6.580 4.724 0.000) 8.100 15.774 ( -9.669 4.926 0.000) 10.851 16.060 ( 1.478 -10.149 0.000) 10.256 16.170 ( -2.385 -6.257 0.000) 6.696 16.690 ( 5.516 -8.004 0.000) 9.721 16.704 ( 4.691 4.521 0.000) 6.515 17.151 ( -3.796 8.208 0.000) 9.044 17.251 ( -10.372 -3.373 0.000) 10.906 17.504 ( 2.365 1.651 0.000) 2.884 17.658 ( -3.316 -4.009 0.000) 5.203 17.813 ( 5.438 -6.217 0.000) 8.260 17.964 ( -1.422 -2.279 0.000) 2.687 18.074 ( 1.491 -5.576 0.000) 5.772 18.138 ( -1.766 -2.212 0.000) 2.831 18.245 ( -0.640 4.076 0.000) 4.126 18.266 ( -0.498 -2.740 0.000) 2.785 19.365 ( 4.081 -13.525 0.000) 14.127 19.435 ( 1.514 -9.655 0.000) 9.773 19.842 ( 14.537 3.975 0.000) 15.071 20.570 ( -18.391 9.376 0.000) 20.643 20.643 ( 9.496 2.777 0.000) 9.894 20.968 ( 7.111 17.511 0.000) 18.900 21.190 ( -13.742 2.651 0.000) 13.996 21.269 ( -7.091 10.538 0.000) 12.702 22.132 ( 9.588 -13.774 0.000) 16.782 22.433 ( -4.489 -10.848 0.000) 11.740 23.364 ( 7.109 24.211 0.000) 25.233 23.754 ( -9.023 16.035 0.000) 18.399 25.406 ( 0.605 -13.205 0.000) 13.219 25.418 ( 1.645 -12.893 0.000) 12.998 25.747 ( 7.995 7.625 0.000) 11.048 26.125 ( 10.339 8.996 0.000) 13.705 26.190 ( -11.522 7.707 0.000) 13.862 26.335 ( 8.911 -1.460 0.000) 9.030 26.476 ( -4.691 11.882 0.000) 12.774 26.718 ( -8.614 -2.844 0.000) 9.071 26.982 ( 11.056 5.312 0.000) 12.266 27.340 ( -1.058 1.754 0.000) 2.048 27.415 ( 2.272 -1.814 0.000) 2.907 27.477 ( 0.545 2.427 0.000) 2.488 27.536 ( -6.118 -2.783 0.000) 6.721 27.608 ( -2.437 0.047 0.000) 2.438 27.989 ( 2.745 -1.900 0.000) 3.338 28.035 ( -2.576 -1.783 0.000) 3.133 28.111 ( 0.556 2.594 0.000) 2.652 28.185 ( -2.491 4.837 0.000) 5.441 28.586 ( 4.951 -9.250 0.000) 10.492 28.685 ( 3.236 -3.929 0.000) 5.090 28.799 ( 7.043 -11.137 0.000) 13.177 28.824 ( 1.327 1.059 0.000) 1.698 28.860 ( -1.298 1.963 0.000) 2.353 28.904 ( 0.262 -3.566 0.000) 3.576 29.272 ( 3.092 -5.350 0.000) 6.179 29.298 ( 0.332 -5.322 0.000) 5.332 29.427 ( 3.996 -3.949 0.000) 5.618 29.676 ( -5.241 -6.913 0.000) 8.675 29.758 ( -2.138 -0.474 0.000) 2.190 29.786 ( -4.613 -9.858 0.000) 10.884 29.965 ( 7.915 -11.595 0.000) 14.039 30.168 ( -3.752 -1.700 0.000) 4.119 30.343 ( 6.379 -11.579 0.000) 13.220 30.350 ( 2.776 0.020 0.000) 2.777 31.187 ( 15.818 12.277 0.000) 20.023 31.401 ( -6.887 12.322 0.000) 14.116 31.415 ( -6.643 -0.339 0.000) 6.652 31.946 ( -15.833 6.414 0.000) 17.083 32.311 ( 3.341 -6.094 0.000) 6.950 32.454 ( -0.140 -6.428 0.000) 6.430 32.739 ( -2.881 4.889 0.000) 5.675 32.842 ( -1.547 -8.196 0.000) 8.341 32.901 ( 1.417 -6.133 0.000) 6.295 32.978 ( 2.355 3.974 0.000) 4.620 33.085 ( -3.587 7.357 0.000) 8.185 33.291 ( -6.335 1.678 0.000) 6.553 33.624 ( 10.420 17.685 0.000) 20.526 34.048 ( -9.350 17.518 0.000) 19.857 34.754 ( 10.685 -7.408 0.000) 13.002 35.281 ( -12.904 -6.274 0.000) 14.348 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -27.109 7.283 0.000) 28.070 2.399 ( 27.109 7.283 0.000) 28.070 3.018 ( -21.644 10.072 0.000) 23.873 3.018 ( 21.644 10.072 0.000) 23.873 3.523 ( -7.656 6.264 0.000) 9.892 3.523 ( 7.656 6.264 0.000) 9.892 3.917 ( -1.318 -3.616 0.000) 3.849 3.917 ( 1.318 -3.616 0.000) 3.849 4.222 ( -23.849 5.998 0.000) 24.591 4.222 ( 23.849 5.998 0.000) 24.591 4.576 ( -16.380 -5.574 0.000) 17.303 4.576 ( 16.380 -5.574 0.000) 17.303 4.620 ( -1.987 0.301 0.000) 2.010 4.620 ( 1.987 0.301 0.000) 2.010 4.912 ( -0.013 -10.433 0.000) 10.433 4.912 ( 0.013 -10.433 0.000) 10.433 5.067 ( -15.640 -1.844 0.000) 15.749 5.067 ( 15.640 -1.844 0.000) 15.749 5.216 ( -2.981 10.340 0.000) 10.761 5.216 ( 2.981 10.340 0.000) 10.761 5.350 ( -5.979 7.312 0.000) 9.445 5.350 ( 5.979 7.312 0.000) 9.445 5.454 ( -2.568 -3.137 0.000) 4.054 5.454 ( 2.568 -3.137 0.000) 4.054 5.937 ( -25.295 12.642 0.000) 28.278 5.937 ( 25.295 12.642 0.000) 28.278 6.153 ( -0.867 9.732 0.000) 9.771 6.153 ( 0.867 9.732 0.000) 9.771 6.199 ( -8.580 1.242 0.000) 8.670 6.199 ( 8.580 1.242 0.000) 8.670 6.631 ( -0.229 -13.547 0.000) 13.549 6.631 ( 0.229 -13.547 0.000) 13.549 7.173 ( -17.635 -10.044 0.000) 20.294 7.173 ( 17.635 -10.044 0.000) 20.294 7.682 ( -4.666 1.325 0.000) 4.851 7.682 ( 4.666 1.325 0.000) 4.851 7.897 ( -0.004 -7.865 0.000) 7.865 7.897 ( 0.004 -7.865 0.000) 7.865 8.257 ( -4.014 -2.594 0.000) 4.780 8.257 ( 4.014 -2.594 0.000) 4.780 8.470 ( -6.660 -5.003 0.000) 8.330 8.470 ( 6.660 -5.003 0.000) 8.330 8.508 ( -5.382 -6.766 0.000) 8.645 8.508 ( 5.382 -6.766 0.000) 8.645 8.938 ( -4.526 3.549 0.000) 5.751 8.938 ( 4.526 3.549 0.000) 5.751 9.245 ( -2.358 19.476 0.000) 19.618 9.245 ( 2.358 19.476 0.000) 19.618 9.756 ( -9.459 -10.980 0.000) 14.493 9.756 ( 9.459 -10.980 0.000) 14.493 10.199 ( -0.114 1.364 0.000) 1.369 10.199 ( 0.114 1.364 0.000) 1.369 10.671 ( -11.497 -7.465 0.000) 13.708 10.671 ( 11.497 -7.465 0.000) 13.708 11.061 ( -6.999 -3.685 0.000) 7.910 11.061 ( 6.999 -3.685 0.000) 7.910 11.486 ( -13.151 13.055 0.000) 18.530 11.486 ( 13.151 13.055 0.000) 18.530 11.859 ( -0.729 -6.141 0.000) 6.184 11.859 ( 0.729 -6.141 0.000) 6.184 12.055 ( -7.061 -4.807 0.000) 8.542 12.055 ( 7.061 -4.807 0.000) 8.542 12.453 ( -5.040 2.945 0.000) 5.837 12.453 ( 5.040 2.945 0.000) 5.837 12.510 ( -6.615 -3.681 0.000) 7.570 12.510 ( 6.615 -3.681 0.000) 7.570 12.787 ( -10.904 -1.771 0.000) 11.046 12.787 ( 10.904 -1.771 0.000) 11.046 13.088 ( -0.770 11.185 0.000) 11.211 13.088 ( 0.770 11.185 0.000) 11.211 13.240 ( -5.709 11.474 0.000) 12.816 13.240 ( 5.709 11.474 0.000) 12.816 13.630 ( -1.961 12.282 0.000) 12.438 13.630 ( 1.961 12.282 0.000) 12.438 14.479 ( -8.930 -6.428 0.000) 11.003 14.479 ( 8.930 -6.428 0.000) 11.003 15.248 ( -7.120 -8.064 0.000) 10.758 15.248 ( 7.120 -8.064 0.000) 10.758 15.582 ( -8.552 5.946 0.000) 10.417 15.582 ( 8.552 5.946 0.000) 10.417 16.109 ( -3.086 -9.564 0.000) 10.049 16.109 ( 3.086 -9.564 0.000) 10.049 16.765 ( -0.275 -1.641 0.000) 1.664 16.765 ( 0.275 -1.641 0.000) 1.664 17.109 ( -1.997 3.893 0.000) 4.375 17.109 ( 1.997 3.893 0.000) 4.375 17.579 ( -4.137 -2.074 0.000) 4.628 17.579 ( 4.137 -2.074 0.000) 4.628 17.910 ( -3.724 -3.009 0.000) 4.788 17.910 ( 3.724 -3.009 0.000) 4.788 18.104 ( -1.452 -3.095 0.000) 3.419 18.104 ( 1.452 -3.095 0.000) 3.419 18.251 ( -0.815 -0.659 0.000) 1.048 18.251 ( 0.815 -0.659 0.000) 1.048 19.429 ( -1.855 -12.588 0.000) 12.724 19.429 ( 1.855 -12.588 0.000) 12.724 20.184 ( -18.104 7.208 0.000) 19.486 20.184 ( 18.104 7.208 0.000) 19.486 20.893 ( -13.972 2.800 0.000) 14.250 20.893 ( 13.972 2.800 0.000) 14.250 21.119 ( -7.382 15.272 0.000) 16.962 21.119 ( 7.382 15.272 0.000) 16.962 22.310 ( -7.406 -13.132 0.000) 15.077 22.310 ( 7.406 -13.132 0.000) 15.077 23.550 ( -10.084 20.779 0.000) 23.097 23.550 ( 10.084 20.779 0.000) 23.097 25.420 ( -0.656 -13.354 0.000) 13.370 25.420 ( 0.656 -13.354 0.000) 13.370 25.952 ( -11.105 7.111 0.000) 13.187 25.952 ( 11.105 7.111 0.000) 13.187 26.335 ( -9.059 9.094 0.000) 12.836 26.335 ( 9.059 9.094 0.000) 12.836 26.529 ( -9.437 -1.342 0.000) 9.532 26.529 ( 9.437 -1.342 0.000) 9.532 27.236 ( -11.093 3.089 0.000) 11.515 27.236 ( 11.093 3.089 0.000) 11.515 27.423 ( -1.301 0.255 0.000) 1.326 27.423 ( 1.301 0.255 0.000) 1.326 27.541 ( -3.944 0.589 0.000) 3.988 27.541 ( 3.944 0.589 0.000) 3.988 28.010 ( -0.044 -3.438 0.000) 3.438 28.010 ( 0.044 -3.438 0.000) 3.438 28.143 ( -2.003 5.238 0.000) 5.608 28.143 ( 2.003 5.238 0.000) 5.608 28.693 ( -3.263 -5.826 0.000) 6.678 28.693 ( 3.263 -5.826 0.000) 6.678 28.837 ( -0.298 1.052 0.000) 1.094 28.837 ( 0.298 1.052 0.000) 1.094 28.893 ( -1.917 -7.409 0.000) 7.653 28.893 ( 1.917 -7.409 0.000) 7.653 29.277 ( -0.496 -6.225 0.000) 6.245 29.277 ( 0.496 -6.225 0.000) 6.245 29.560 ( -6.258 -7.774 0.000) 9.980 29.560 ( 6.258 -7.774 0.000) 9.980 29.738 ( -0.484 -3.579 0.000) 3.611 29.738 ( 0.484 -3.579 0.000) 3.611 30.082 ( -4.445 -5.655 0.000) 7.193 30.082 ( 4.445 -5.655 0.000) 7.193 30.401 ( -0.907 -4.820 0.000) 4.905 30.401 ( 0.907 -4.820 0.000) 4.905 31.331 ( -1.081 5.954 0.000) 6.052 31.331 ( 1.081 5.954 0.000) 6.052 31.569 ( -19.176 10.357 0.000) 21.795 31.569 ( 19.176 10.357 0.000) 21.795 32.396 ( -4.619 -4.451 0.000) 6.414 32.396 ( 4.619 -4.451 0.000) 6.414 32.769 ( -4.496 -7.325 0.000) 8.595 32.769 ( 4.496 -7.325 0.000) 8.595 32.952 ( -3.008 0.254 0.000) 3.019 32.952 ( 3.008 0.254 0.000) 3.019 33.146 ( -6.907 4.425 0.000) 8.203 33.146 ( 6.907 4.425 0.000) 8.203 33.841 ( -10.408 17.843 0.000) 20.657 33.841 ( 10.408 17.843 0.000) 20.657 35.005 ( -13.214 -6.975 0.000) 14.942 35.005 ( 13.214 -6.975 0.000) 14.942 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 34.573 0.000) 34.573 1.932 ( 0.000 43.878 0.000) 43.878 2.713 ( 0.000 -6.152 0.000) 6.152 3.255 ( 0.000 20.655 0.000) 20.655 3.505 ( 0.000 -5.604 0.000) 5.604 3.642 ( 0.000 -29.091 0.000) 29.091 3.774 ( 0.000 7.698 0.000) 7.698 3.824 ( 0.000 -9.720 0.000) 9.720 3.828 ( 0.000 -12.823 0.000) 12.823 3.893 ( 0.000 9.659 0.000) 9.659 4.078 ( 0.000 45.446 0.000) 45.446 4.280 ( 0.000 1.022 0.000) 1.022 4.565 ( 0.000 -11.781 0.000) 11.781 4.814 ( 0.000 -1.859 0.000) 1.859 5.013 ( 0.000 -2.483 0.000) 2.483 5.132 ( 0.000 4.117 0.000) 4.117 5.135 ( 0.000 9.404 0.000) 9.404 5.204 ( 0.000 6.372 0.000) 6.372 5.247 ( 0.000 -8.207 0.000) 8.207 5.449 ( 0.000 15.209 0.000) 15.209 5.478 ( 0.000 5.433 0.000) 5.433 5.509 ( 0.000 -5.803 0.000) 5.803 5.745 ( 0.000 -9.024 0.000) 9.024 5.849 ( 0.000 11.703 0.000) 11.703 6.106 ( 0.000 -7.176 0.000) 7.176 6.110 ( 0.000 -20.986 0.000) 20.986 6.485 ( 0.000 18.575 0.000) 18.575 6.490 ( 0.000 -11.133 0.000) 11.133 6.562 ( 0.000 10.346 0.000) 10.346 6.703 ( 0.000 3.727 0.000) 3.727 6.704 ( 0.000 3.307 0.000) 3.307 6.946 ( 0.000 -12.601 0.000) 12.601 7.031 ( 0.000 -14.875 0.000) 14.875 7.156 ( 0.000 13.047 0.000) 13.047 7.320 ( 0.000 -6.233 0.000) 6.233 7.454 ( 0.000 12.546 0.000) 12.546 7.612 ( 0.000 -15.606 0.000) 15.606 7.646 ( 0.000 0.779 0.000) 0.779 7.658 ( 0.000 -10.076 0.000) 10.076 8.273 ( 0.000 -28.634 0.000) 28.634 8.319 ( 0.000 -2.607 0.000) 2.607 8.519 ( 0.000 -14.369 0.000) 14.369 8.864 ( 0.000 5.522 0.000) 5.522 8.981 ( 0.000 4.126 0.000) 4.126 9.104 ( 0.000 -6.065 0.000) 6.065 9.124 ( 0.000 -8.240 0.000) 8.240 9.154 ( 0.000 -8.466 0.000) 8.466 9.264 ( 0.000 -3.788 0.000) 3.788 9.731 ( 0.000 23.213 0.000) 23.213 9.951 ( 0.000 30.292 0.000) 30.292 9.983 ( 0.000 6.133 0.000) 6.133 10.140 ( 0.000 13.608 0.000) 13.608 10.167 ( 0.000 6.277 0.000) 6.277 10.491 ( 0.000 -16.506 0.000) 16.506 10.710 ( 0.000 -10.443 0.000) 10.443 11.001 ( 0.000 5.593 0.000) 5.593 11.278 ( 0.000 14.667 0.000) 14.667 11.294 ( 0.000 -28.496 0.000) 28.496 11.477 ( 0.000 -14.576 0.000) 14.576 11.515 ( 0.000 -4.768 0.000) 4.768 11.612 ( 0.000 11.097 0.000) 11.097 11.980 ( 0.000 -8.877 0.000) 8.877 12.175 ( 0.000 -3.177 0.000) 3.177 12.324 ( 0.000 6.917 0.000) 6.917 12.350 ( 0.000 -0.577 0.000) 0.577 12.496 ( 0.000 1.803 0.000) 1.803 13.180 ( 0.000 10.783 0.000) 10.783 13.274 ( 0.000 4.008 0.000) 4.008 13.329 ( 0.000 1.684 0.000) 1.684 13.542 ( 0.000 7.018 0.000) 7.018 13.581 ( 0.000 -3.466 0.000) 3.466 13.682 ( 0.000 8.672 0.000) 8.672 14.081 ( 0.000 13.912 0.000) 13.912 14.169 ( 0.000 16.533 0.000) 16.533 14.263 ( 0.000 14.220 0.000) 14.220 14.642 ( 0.000 -10.520 0.000) 10.520 14.958 ( 0.000 1.162 0.000) 1.162 15.256 ( 0.000 -6.971 0.000) 6.971 15.482 ( 0.000 -11.054 0.000) 11.054 15.663 ( 0.000 -14.965 0.000) 14.965 16.278 ( 0.000 8.977 0.000) 8.977 16.315 ( 0.000 8.245 0.000) 8.245 16.345 ( 0.000 -2.884 0.000) 2.884 16.614 ( 0.000 -0.042 0.000) 0.042 17.201 ( 0.000 -17.097 0.000) 17.097 17.268 ( 0.000 -7.760 0.000) 7.760 17.471 ( 0.000 -5.024 0.000) 5.024 17.531 ( 0.000 -6.701 0.000) 6.701 17.721 ( 0.000 -12.199 0.000) 12.199 17.769 ( 0.000 -10.250 0.000) 10.250 17.817 ( 0.000 12.617 0.000) 12.617 18.197 ( 0.000 -2.990 0.000) 2.990 18.211 ( 0.000 8.280 0.000) 8.280 18.663 ( 0.000 12.675 0.000) 12.675 18.918 ( 0.000 -16.391 0.000) 16.391 19.170 ( 0.000 -8.504 0.000) 8.504 19.690 ( 0.000 16.225 0.000) 16.225 20.388 ( 0.000 -12.493 0.000) 12.493 21.184 ( 0.000 27.860 0.000) 27.860 21.210 ( 0.000 1.771 0.000) 1.771 21.467 ( 0.000 -8.862 0.000) 8.862 21.606 ( 0.000 6.537 0.000) 6.537 21.683 ( 0.000 5.801 0.000) 5.801 22.270 ( 0.000 -17.912 0.000) 17.912 23.898 ( 0.000 30.556 0.000) 30.556 24.181 ( 0.000 14.023 0.000) 14.023 25.003 ( 0.000 -20.075 0.000) 20.075 25.026 ( 0.000 -18.325 0.000) 18.325 25.752 ( 0.000 7.096 0.000) 7.096 26.031 ( 0.000 -5.394 0.000) 5.394 26.199 ( 0.000 21.483 0.000) 21.483 26.570 ( 0.000 5.759 0.000) 5.759 26.790 ( 0.000 -3.897 0.000) 3.897 26.966 ( 0.000 8.362 0.000) 8.362 27.153 ( 0.000 2.307 0.000) 2.307 27.297 ( 0.000 -23.219 0.000) 23.219 27.379 ( 0.000 5.729 0.000) 5.729 27.411 ( 0.000 2.970 0.000) 2.970 27.548 ( 0.000 -2.994 0.000) 2.994 27.576 ( 0.000 4.749 0.000) 4.749 27.845 ( 0.000 -1.960 0.000) 1.960 27.855 ( 0.000 -6.397 0.000) 6.397 28.145 ( 0.000 6.582 0.000) 6.582 28.400 ( 0.000 2.069 0.000) 2.069 28.439 ( 0.000 5.861 0.000) 5.861 28.472 ( 0.000 -5.875 0.000) 5.875 28.524 ( 0.000 -9.787 0.000) 9.787 28.661 ( 0.000 -3.932 0.000) 3.932 28.673 ( 0.000 6.400 0.000) 6.400 28.929 ( 0.000 0.477 0.000) 0.477 29.072 ( 0.000 7.457 0.000) 7.457 29.206 ( 0.000 2.813 0.000) 2.813 29.360 ( 0.000 -3.687 0.000) 3.687 29.620 ( 0.000 5.692 0.000) 5.692 29.640 ( 0.000 -9.772 0.000) 9.772 29.641 ( 0.000 -16.186 0.000) 16.186 29.685 ( 0.000 -14.481 0.000) 14.481 29.916 ( 0.000 -5.669 0.000) 5.669 30.230 ( 0.000 -0.548 0.000) 0.548 30.283 ( 0.000 0.119 0.000) 0.119 31.186 ( 0.000 16.585 0.000) 16.585 31.581 ( 0.000 -3.277 0.000) 3.277 31.738 ( 0.000 -1.295 0.000) 1.295 31.792 ( 0.000 -10.115 0.000) 10.115 32.461 ( 0.000 -1.140 0.000) 1.140 32.532 ( 0.000 6.772 0.000) 6.772 32.773 ( 0.000 -4.264 0.000) 4.264 32.850 ( 0.000 -11.366 0.000) 11.366 33.049 ( 0.000 4.073 0.000) 4.073 33.236 ( 0.000 -1.106 0.000) 1.106 33.333 ( 0.000 13.936 0.000) 13.936 33.410 ( 0.000 8.917 0.000) 8.917 33.585 ( 0.000 12.213 0.000) 12.213 34.252 ( 0.000 -14.740 0.000) 14.740 34.730 ( 0.000 20.872 0.000) 20.872 35.464 ( 0.000 -11.959 0.000) 11.959 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 19.079 33.369 0.000) 38.439 2.134 ( 17.920 37.014 0.000) 41.124 2.959 ( 19.299 -2.340 0.000) 19.441 3.397 ( 15.844 0.434 0.000) 15.850 3.452 ( 0.640 -2.049 0.000) 2.146 3.645 ( -2.695 -21.644 0.000) 21.811 3.780 ( -1.236 -8.982 0.000) 9.066 3.890 ( 1.970 -13.731 0.000) 13.871 3.900 ( 6.813 23.158 0.000) 24.140 4.016 ( 12.661 12.101 0.000) 17.513 4.062 ( -17.717 3.057 0.000) 17.979 4.159 ( 7.596 23.872 0.000) 25.051 4.450 ( -1.943 -12.731 0.000) 12.878 4.788 ( -1.234 1.642 0.000) 2.054 4.871 ( -18.389 11.288 0.000) 21.577 5.027 ( -5.049 -2.741 0.000) 5.745 5.150 ( -0.346 1.967 0.000) 1.997 5.242 ( 3.647 -1.931 0.000) 4.126 5.329 ( 5.921 -3.747 0.000) 7.007 5.353 ( -8.750 -4.747 0.000) 9.955 5.469 ( -0.265 3.911 0.000) 3.920 5.489 ( 0.160 12.370 0.000) 12.371 5.771 ( -6.981 8.230 0.000) 10.792 5.798 ( 3.650 -4.113 0.000) 5.499 5.953 ( -13.040 -5.215 0.000) 14.044 6.176 ( -1.153 -14.634 0.000) 14.679 6.339 ( -9.494 -8.870 0.000) 12.993 6.433 ( -4.496 13.918 0.000) 14.626 6.588 ( 1.589 10.680 0.000) 10.797 6.743 ( 0.674 4.155 0.000) 4.209 6.759 ( 3.652 13.868 0.000) 14.341 6.885 ( -13.711 8.953 0.000) 16.375 6.923 ( -6.611 -18.685 0.000) 19.820 7.147 ( 10.593 -11.020 0.000) 15.286 7.303 ( -6.178 -3.501 0.000) 7.101 7.489 ( 0.341 -8.970 0.000) 8.976 7.575 ( 8.881 1.565 0.000) 9.018 7.718 ( 6.640 1.723 0.000) 6.860 7.890 ( 10.852 -12.989 0.000) 16.926 8.170 ( -5.847 -15.099 0.000) 16.192 8.298 ( -5.136 -20.141 0.000) 20.786 8.501 ( -4.851 -10.250 0.000) 11.340 8.795 ( -15.214 10.678 0.000) 18.587 8.860 ( -16.495 -5.093 0.000) 17.263 8.911 ( -0.535 5.354 0.000) 5.381 8.950 ( 4.182 -1.036 0.000) 4.309 9.291 ( 2.386 -4.298 0.000) 4.916 9.448 ( 10.575 -15.278 0.000) 18.581 9.773 ( 3.054 21.752 0.000) 21.965 9.883 ( -2.928 20.888 0.000) 21.092 10.065 ( -1.868 9.745 0.000) 9.922 10.128 ( 7.825 12.125 0.000) 14.431 10.410 ( 13.816 6.291 0.000) 15.181 10.582 ( 8.290 -16.130 0.000) 18.136 10.716 ( 1.996 -5.041 0.000) 5.422 11.026 ( -3.377 3.172 0.000) 4.633 11.094 ( -4.103 -19.096 0.000) 19.532 11.319 ( 4.199 8.663 0.000) 9.627 11.430 ( 1.879 -0.096 0.000) 1.882 11.632 ( 7.206 -21.072 0.000) 22.270 11.887 ( 8.800 0.687 0.000) 8.827 12.009 ( 7.204 -2.248 0.000) 7.547 12.189 ( 4.265 -2.015 0.000) 4.718 12.355 ( 1.534 9.413 0.000) 9.537 12.419 ( 4.776 -3.396 0.000) 5.860 12.565 ( 5.259 1.383 0.000) 5.438 13.027 ( -12.081 8.083 0.000) 14.536 13.178 ( -14.495 -0.355 0.000) 14.499 13.274 ( 0.335 7.977 0.000) 7.984 13.508 ( -3.124 8.905 0.000) 9.437 13.609 ( 2.861 -3.475 0.000) 4.501 13.669 ( -1.264 8.951 0.000) 9.040 14.035 ( -4.045 13.902 0.000) 14.478 14.053 ( -8.698 19.795 0.000) 21.622 14.305 ( 1.417 10.567 0.000) 10.661 14.594 ( -4.545 -10.710 0.000) 11.634 14.979 ( 1.462 -0.320 0.000) 1.497 15.301 ( 4.617 -6.206 0.000) 7.736 15.393 ( -7.236 -9.286 0.000) 11.772 15.643 ( -1.917 -16.909 0.000) 17.018 16.209 ( -4.662 9.798 0.000) 10.850 16.255 ( -4.804 7.364 0.000) 8.793 16.433 ( 6.167 -2.042 0.000) 6.496 16.653 ( 2.717 -2.421 0.000) 3.639 17.154 ( -1.980 -11.346 0.000) 11.517 17.336 ( 3.748 -13.257 0.000) 13.777 17.366 ( -7.438 -2.538 0.000) 7.859 17.545 ( 0.228 -6.304 0.000) 6.308 17.726 ( 0.246 -12.565 0.000) 12.568 17.807 ( -0.803 11.415 0.000) 11.444 17.841 ( 5.657 -9.563 0.000) 11.111 18.183 ( -1.055 -1.509 0.000) 1.841 18.234 ( 1.968 7.977 0.000) 8.216 18.609 ( -4.296 15.224 0.000) 15.819 18.957 ( 3.550 -16.401 0.000) 16.781 19.198 ( 1.414 -10.654 0.000) 10.747 19.780 ( 8.451 15.068 0.000) 17.276 20.439 ( 5.089 -10.489 0.000) 11.659 21.061 ( -12.673 4.075 0.000) 13.312 21.258 ( 5.945 24.771 0.000) 25.474 21.390 ( -7.638 -7.803 0.000) 10.919 21.587 ( -1.192 10.129 0.000) 10.199 21.773 ( 6.730 0.024 0.000) 6.730 22.246 ( -2.359 -16.531 0.000) 16.699 23.894 ( 0.234 29.928 0.000) 29.929 24.181 ( -0.404 15.613 0.000) 15.619 25.019 ( 1.146 -19.971 0.000) 20.004 25.035 ( 0.579 -20.000 0.000) 20.009 25.790 ( 3.781 7.285 0.000) 8.208 26.065 ( 3.705 -4.385 0.000) 5.741 26.305 ( 9.226 20.604 0.000) 22.576 26.514 ( -5.566 5.688 0.000) 7.958 26.747 ( -4.529 -4.279 0.000) 6.231 26.971 ( -1.529 7.877 0.000) 8.024 27.040 ( -5.851 11.252 0.000) 12.682 27.341 ( 0.305 2.509 0.000) 2.528 27.344 ( 3.536 -20.294 0.000) 20.599 27.407 ( -0.245 2.347 0.000) 2.360 27.540 ( -0.537 -2.836 0.000) 2.887 27.560 ( -1.534 2.889 0.000) 3.271 27.901 ( 3.854 -0.420 0.000) 3.877 27.988 ( 8.522 -8.380 0.000) 11.952 28.154 ( 0.264 7.645 0.000) 7.650 28.341 ( -1.447 -0.047 0.000) 1.447 28.385 ( -4.322 6.187 0.000) 7.547 28.477 ( 1.478 -6.480 0.000) 6.646 28.511 ( 3.279 -5.493 0.000) 6.398 28.681 ( 1.257 -6.255 0.000) 6.380 28.927 ( -0.010 1.886 0.000) 1.886 28.961 ( 14.934 -3.158 0.000) 15.265 29.010 ( -4.491 5.905 0.000) 7.419 29.220 ( -0.146 0.056 0.000) 0.157 29.347 ( -0.816 -2.785 0.000) 2.902 29.568 ( -5.261 -11.191 0.000) 12.366 29.589 ( 0.059 -6.974 0.000) 6.974 29.665 ( -2.162 -10.194 0.000) 10.421 29.751 ( 6.489 -3.109 0.000) 7.195 29.955 ( 4.529 -7.335 0.000) 8.621 30.213 ( -1.623 0.260 0.000) 1.644 30.298 ( 1.015 -1.113 0.000) 1.506 31.259 ( 7.164 16.109 0.000) 17.631 31.528 ( -3.502 0.666 0.000) 3.564 31.750 ( 0.201 2.518 0.000) 2.526 31.846 ( 4.107 -11.737 0.000) 12.435 32.367 ( -7.222 -2.157 0.000) 7.538 32.489 ( -4.871 7.747 0.000) 9.151 32.752 ( -2.156 -4.806 0.000) 5.267 32.761 ( -6.758 -10.588 0.000) 12.561 33.001 ( -2.607 7.676 0.000) 8.107 33.185 ( -7.486 11.158 0.000) 13.437 33.286 ( 1.932 -4.517 0.000) 4.913 33.352 ( -6.446 5.349 0.000) 8.377 33.750 ( 11.658 14.689 0.000) 18.753 34.342 ( 7.958 -12.827 0.000) 15.095 34.649 ( -7.243 20.473 0.000) 21.716 35.352 ( -9.783 -10.974 0.000) 14.702 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 13.081 27.205 0.000) 30.186 2.568 ( 20.342 22.417 0.000) 30.271 3.179 ( -0.770 -10.303 0.000) 10.331 3.320 ( -24.409 -5.124 0.000) 24.942 3.678 ( 12.666 2.268 0.000) 12.867 3.742 ( 0.339 9.175 0.000) 9.181 3.829 ( 23.892 2.688 0.000) 24.043 3.830 ( -1.635 -6.514 0.000) 6.716 4.061 ( 9.584 -14.926 0.000) 17.738 4.159 ( 2.871 24.518 0.000) 24.685 4.208 ( 12.895 2.525 0.000) 13.140 4.382 ( 13.758 1.630 0.000) 13.854 4.497 ( 4.413 -17.000 0.000) 17.564 4.649 ( 6.054 11.521 0.000) 13.015 4.715 ( -6.233 3.583 0.000) 7.190 4.916 ( -5.698 3.983 0.000) 6.952 5.044 ( -14.569 3.221 0.000) 14.921 5.176 ( 1.183 -3.532 0.000) 3.725 5.271 ( 1.505 -5.634 0.000) 5.831 5.373 ( -2.979 -1.234 0.000) 3.225 5.500 ( 0.696 -1.933 0.000) 2.055 5.501 ( -3.982 5.404 0.000) 6.713 5.640 ( -14.654 2.451 0.000) 14.858 5.647 ( -3.288 2.154 0.000) 3.931 5.881 ( 4.518 -1.900 0.000) 4.901 5.959 ( -6.197 5.371 0.000) 8.201 6.293 ( -10.325 4.403 0.000) 11.225 6.326 ( 2.454 -12.362 0.000) 12.604 6.438 ( -14.762 -2.799 0.000) 15.025 6.642 ( -4.759 15.773 0.000) 16.475 6.720 ( -5.245 22.664 0.000) 23.263 6.754 ( -8.648 11.810 0.000) 14.638 6.909 ( 2.878 -20.017 0.000) 20.223 7.005 ( -10.796 -0.633 0.000) 10.814 7.440 ( 11.968 -13.247 0.000) 17.853 7.638 ( 10.247 -2.180 0.000) 10.476 7.723 ( 4.992 -2.746 0.000) 5.697 7.835 ( -2.506 -3.413 0.000) 4.235 8.048 ( -1.401 -20.408 0.000) 20.456 8.058 ( 5.960 -12.740 0.000) 14.065 8.197 ( 0.271 -2.633 0.000) 2.647 8.422 ( -3.512 -8.300 0.000) 9.012 8.475 ( -15.634 -3.011 0.000) 15.921 8.491 ( -12.961 -3.671 0.000) 13.471 8.991 ( 4.773 5.677 0.000) 7.417 9.055 ( 3.358 6.959 0.000) 7.727 9.378 ( 5.744 -5.618 0.000) 8.035 9.560 ( 0.765 -12.579 0.000) 12.602 9.787 ( -1.798 20.744 0.000) 20.821 9.802 ( -4.324 19.486 0.000) 19.960 10.093 ( 4.752 3.208 0.000) 5.733 10.254 ( 2.965 6.585 0.000) 7.222 10.579 ( 3.206 5.005 0.000) 5.944 10.689 ( -2.448 -10.272 0.000) 10.560 10.876 ( 10.976 0.581 0.000) 10.991 10.931 ( 4.061 -5.836 0.000) 7.110 11.236 ( 10.333 -9.487 0.000) 14.028 11.432 ( 4.541 -1.292 0.000) 4.721 11.576 ( 10.319 -4.696 0.000) 11.337 11.735 ( 3.226 -18.848 0.000) 19.122 11.902 ( 1.633 2.461 0.000) 2.953 12.217 ( 6.558 -5.898 0.000) 8.821 12.305 ( -8.264 12.983 0.000) 15.390 12.405 ( 12.100 0.669 0.000) 12.118 12.521 ( 7.046 -2.592 0.000) 7.508 12.607 ( -2.710 1.808 0.000) 3.258 12.777 ( -19.896 -0.512 0.000) 19.903 12.841 ( -5.638 -0.329 0.000) 5.648 13.312 ( 3.701 10.885 0.000) 11.497 13.433 ( -3.246 13.823 0.000) 14.199 13.623 ( -3.520 10.526 0.000) 11.099 13.633 ( -3.584 4.833 0.000) 6.017 13.910 ( -1.708 17.133 0.000) 17.218 13.950 ( -2.901 13.575 0.000) 13.881 14.297 ( -1.372 2.996 0.000) 3.296 14.463 ( -7.624 -10.570 0.000) 13.033 15.018 ( 2.658 -1.390 0.000) 2.999 15.232 ( -7.545 -6.413 0.000) 9.903 15.428 ( 6.642 -7.298 0.000) 9.868 15.600 ( -2.019 -17.501 0.000) 17.617 16.112 ( -4.038 12.439 0.000) 13.078 16.147 ( -5.008 6.941 0.000) 8.559 16.567 ( 6.162 -4.342 0.000) 7.538 16.693 ( 0.691 -7.168 0.000) 7.201 17.133 ( -0.298 -7.257 0.000) 7.263 17.222 ( -5.700 1.166 0.000) 5.818 17.403 ( 3.060 -11.812 0.000) 12.202 17.528 ( -1.928 -6.063 0.000) 6.362 17.734 ( 0.719 -9.774 0.000) 9.800 17.787 ( -1.213 5.316 0.000) 5.453 17.964 ( 5.839 -8.396 0.000) 10.227 18.147 ( -2.603 -4.000 0.000) 4.772 18.296 ( 4.071 12.733 0.000) 13.368 18.508 ( -5.330 17.028 0.000) 17.842 19.047 ( 4.696 -15.959 0.000) 16.636 19.197 ( -1.587 -12.975 0.000) 13.072 20.025 ( 14.714 12.824 0.000) 19.518 20.603 ( 10.712 -7.836 0.000) 13.272 20.740 ( -17.459 7.689 0.000) 19.077 21.164 ( -13.454 -6.924 0.000) 15.131 21.385 ( 5.741 20.849 0.000) 21.625 21.552 ( -2.335 13.969 0.000) 14.162 21.921 ( 7.216 -5.570 0.000) 9.115 22.174 ( -4.502 -13.601 0.000) 14.327 23.934 ( 3.854 27.529 0.000) 27.797 24.143 ( -3.558 19.520 0.000) 19.842 25.038 ( 0.560 -19.944 0.000) 19.952 25.042 ( 0.112 -21.484 0.000) 21.484 25.911 ( 7.888 7.309 0.000) 10.754 26.188 ( 7.996 -4.442 0.000) 9.147 26.340 ( -10.699 6.431 0.000) 12.483 26.527 ( 10.969 19.798 0.000) 22.633 26.596 ( -9.528 -4.535 0.000) 10.552 26.843 ( -5.816 15.153 0.000) 16.231 27.109 ( 7.560 4.698 0.000) 8.901 27.370 ( -1.623 -6.052 0.000) 6.266 27.387 ( 2.943 0.987 0.000) 3.104 27.412 ( 0.028 -3.582 0.000) 3.582 27.538 ( -0.146 2.188 0.000) 2.193 27.550 ( 1.890 -4.215 0.000) 4.620 27.945 ( 0.644 -1.027 0.000) 1.212 28.099 ( -6.355 8.562 0.000) 10.663 28.170 ( 8.570 -1.201 0.000) 8.653 28.315 ( -1.401 6.848 0.000) 6.990 28.353 ( 3.016 -6.890 0.000) 7.521 28.581 ( 6.320 -8.869 0.000) 10.890 28.586 ( 2.674 -5.220 0.000) 5.865 28.675 ( -2.351 -12.738 0.000) 12.953 28.911 ( -1.082 2.847 0.000) 3.046 28.929 ( -2.757 4.031 0.000) 4.884 29.133 ( 1.344 -7.229 0.000) 7.353 29.168 ( -4.035 -6.382 0.000) 7.550 29.367 ( 3.033 -0.744 0.000) 3.123 29.484 ( -2.495 -6.340 0.000) 6.814 29.598 ( -0.049 -9.912 0.000) 9.912 29.610 ( -2.472 -7.937 0.000) 8.313 29.890 ( 7.307 0.848 0.000) 7.356 30.105 ( 8.557 -9.442 0.000) 12.743 30.155 ( -4.125 1.105 0.000) 4.270 30.307 ( -0.605 -3.858 0.000) 3.905 31.480 ( 13.660 14.241 0.000) 19.733 31.486 ( 0.118 7.162 0.000) 7.163 31.689 ( -6.196 12.316 0.000) 13.787 31.923 ( 1.648 -8.729 0.000) 8.883 32.295 ( 1.573 -7.056 0.000) 7.230 32.328 ( -8.628 7.476 0.000) 11.416 32.581 ( -9.667 -12.589 0.000) 15.873 32.669 ( -6.234 -7.569 0.000) 9.806 32.994 ( 1.819 8.095 0.000) 8.297 33.100 ( -1.402 6.256 0.000) 6.411 33.215 ( -4.934 3.353 0.000) 5.966 33.276 ( -2.570 -3.310 0.000) 4.190 33.995 ( 11.674 15.913 0.000) 19.736 34.459 ( -10.505 19.021 0.000) 21.729 34.550 ( 11.707 -10.811 0.000) 15.935 35.102 ( -13.568 -10.327 0.000) 17.051 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -15.227 14.887 0.000) 21.295 2.657 ( 15.227 14.887 0.000) 21.295 3.084 ( -5.567 -2.596 0.000) 6.143 3.084 ( 5.567 -2.596 0.000) 6.143 3.771 ( -0.639 10.731 0.000) 10.750 3.771 ( 0.639 10.731 0.000) 10.750 3.907 ( -11.688 5.768 0.000) 13.033 3.907 ( 11.688 5.768 0.000) 13.033 4.207 ( -2.677 -8.706 0.000) 9.108 4.207 ( 2.677 -8.706 0.000) 9.108 4.504 ( -7.482 -9.601 0.000) 12.173 4.504 ( 7.482 -9.601 0.000) 12.173 4.593 ( -3.396 5.655 0.000) 6.596 4.593 ( 3.396 5.655 0.000) 6.596 4.792 ( -3.549 1.555 0.000) 3.875 4.792 ( 3.549 1.555 0.000) 3.875 5.085 ( -20.110 1.304 0.000) 20.152 5.085 ( 20.110 1.304 0.000) 20.152 5.353 ( -2.236 -2.442 0.000) 3.311 5.353 ( 2.236 -2.442 0.000) 3.311 5.385 ( -10.745 3.302 0.000) 11.241 5.385 ( 10.745 3.302 0.000) 11.241 5.533 ( -5.079 6.047 0.000) 7.898 5.533 ( 5.079 6.047 0.000) 7.898 6.029 ( -10.781 -3.170 0.000) 11.237 6.029 ( 10.781 -3.170 0.000) 11.237 6.145 ( -18.143 -3.187 0.000) 18.420 6.145 ( 18.143 -3.187 0.000) 18.420 6.387 ( -6.148 1.983 0.000) 6.459 6.387 ( 6.148 1.983 0.000) 6.459 6.664 ( -0.357 22.454 0.000) 22.456 6.664 ( 0.357 22.454 0.000) 22.456 6.946 ( -0.617 -8.100 0.000) 8.123 6.946 ( 0.617 -8.100 0.000) 8.123 7.650 ( -9.455 -9.071 0.000) 13.102 7.650 ( 9.455 -9.071 0.000) 13.102 7.775 ( -1.583 -1.640 0.000) 2.279 7.775 ( 1.583 -1.640 0.000) 2.279 8.114 ( -2.760 -11.601 0.000) 11.924 8.114 ( 2.760 -11.601 0.000) 11.924 8.281 ( -4.960 -7.126 0.000) 8.682 8.281 ( 4.960 -7.126 0.000) 8.682 8.336 ( -0.912 -5.954 0.000) 6.023 8.336 ( 0.912 -5.954 0.000) 6.023 9.063 ( -2.005 8.133 0.000) 8.377 9.063 ( 2.005 8.133 0.000) 8.377 9.505 ( -5.424 -9.513 0.000) 10.951 9.505 ( 5.424 -9.513 0.000) 10.951 9.753 ( -0.213 20.862 0.000) 20.864 9.753 ( 0.213 20.862 0.000) 20.864 10.216 ( -5.624 -0.756 0.000) 5.674 10.216 ( 5.624 -0.756 0.000) 5.674 10.625 ( -2.088 3.458 0.000) 4.040 10.625 ( 2.088 3.458 0.000) 4.040 11.010 ( -0.468 -2.232 0.000) 2.280 11.010 ( 0.468 -2.232 0.000) 2.280 11.421 ( -5.743 -10.851 0.000) 12.277 11.421 ( 5.743 -10.851 0.000) 12.277 11.749 ( -3.757 -11.425 0.000) 12.027 11.749 ( 3.757 -11.425 0.000) 12.027 12.060 ( -12.107 8.336 0.000) 14.699 12.060 ( 12.107 8.336 0.000) 14.699 12.386 ( -13.484 -6.499 0.000) 14.969 12.386 ( 13.484 -6.499 0.000) 14.969 12.533 ( -4.191 4.243 0.000) 5.964 12.533 ( 4.191 4.243 0.000) 5.964 12.736 ( -8.438 -3.125 0.000) 8.998 12.736 ( 8.438 -3.125 0.000) 8.998 13.393 ( -2.035 14.598 0.000) 14.739 13.393 ( 2.035 14.598 0.000) 14.739 13.548 ( -0.611 14.237 0.000) 14.250 13.548 ( 0.611 14.237 0.000) 14.250 13.929 ( -0.463 12.815 0.000) 12.823 13.929 ( 0.463 12.815 0.000) 12.823 14.319 ( -4.777 -7.108 0.000) 8.564 14.319 ( 4.777 -7.108 0.000) 8.564 15.098 ( -5.199 -3.373 0.000) 6.197 15.098 ( 5.199 -3.373 0.000) 6.197 15.544 ( -4.040 -12.681 0.000) 13.309 15.544 ( 4.040 -12.681 0.000) 13.309 16.076 ( -1.116 10.112 0.000) 10.174 16.076 ( 1.116 10.112 0.000) 10.174 16.668 ( -3.220 -7.888 0.000) 8.520 16.668 ( 3.220 -7.888 0.000) 8.520 17.144 ( -1.819 -0.862 0.000) 2.013 17.144 ( 1.819 -0.862 0.000) 2.013 17.471 ( -3.336 -8.219 0.000) 8.870 17.471 ( 3.336 -8.219 0.000) 8.870 17.758 ( -1.461 -2.986 0.000) 3.325 17.758 ( 1.461 -2.986 0.000) 3.325 18.073 ( -4.518 -6.513 0.000) 7.927 18.073 ( 4.518 -6.513 0.000) 7.927 18.396 ( -5.317 16.105 0.000) 16.960 18.396 ( 5.317 16.105 0.000) 16.960 19.138 ( -3.845 -14.736 0.000) 15.229 19.138 ( 3.845 -14.736 0.000) 15.229 20.368 ( -17.861 10.565 0.000) 20.752 20.368 ( 17.861 10.565 0.000) 20.752 20.868 ( -14.271 -6.693 0.000) 15.763 20.868 ( 14.271 -6.693 0.000) 15.763 21.487 ( -4.049 17.508 0.000) 17.970 21.487 ( 4.049 17.508 0.000) 17.970 22.062 ( -6.220 -9.974 0.000) 11.754 22.062 ( 6.220 -9.974 0.000) 11.754 24.041 ( -5.750 23.812 0.000) 24.497 24.041 ( 5.750 23.812 0.000) 24.497 25.043 ( -0.033 -20.840 0.000) 20.840 25.043 ( 0.033 -20.840 0.000) 20.840 26.108 ( -10.845 7.085 0.000) 12.954 26.108 ( 10.845 7.085 0.000) 12.954 26.383 ( -10.376 -4.646 0.000) 11.369 26.383 ( 10.376 -4.646 0.000) 11.369 26.720 ( -7.200 17.626 0.000) 19.040 26.720 ( 7.200 17.626 0.000) 19.040 27.276 ( -7.214 -2.214 0.000) 7.546 27.276 ( 7.214 -2.214 0.000) 7.546 27.414 ( -0.223 0.916 0.000) 0.943 27.414 ( 0.223 0.916 0.000) 0.943 27.565 ( -1.479 -0.260 0.000) 1.502 27.565 ( 1.479 -0.260 0.000) 1.502 27.973 ( -3.573 2.480 0.000) 4.350 27.973 ( 3.573 2.480 0.000) 4.350 28.287 ( -2.638 7.397 0.000) 7.853 28.287 ( 2.638 7.397 0.000) 7.853 28.497 ( -9.251 -13.096 0.000) 16.034 28.497 ( 9.251 -13.096 0.000) 16.034 28.660 ( -0.697 -9.717 0.000) 9.742 28.660 ( 0.697 -9.717 0.000) 9.742 28.899 ( -0.289 2.987 0.000) 3.001 28.899 ( 0.289 2.987 0.000) 3.001 29.122 ( -0.142 -7.388 0.000) 7.389 29.122 ( 0.142 -7.388 0.000) 7.389 29.434 ( -2.903 -2.999 0.000) 4.174 29.434 ( 2.903 -2.999 0.000) 4.174 29.588 ( -0.282 -8.449 0.000) 8.453 29.588 ( 0.282 -8.449 0.000) 8.453 30.041 ( -6.737 1.256 0.000) 6.853 30.041 ( 6.737 1.256 0.000) 6.853 30.253 ( -4.979 -7.623 0.000) 9.105 30.253 ( 4.979 -7.623 0.000) 9.105 31.545 ( -5.425 12.839 0.000) 13.938 31.545 ( 5.425 12.839 0.000) 13.938 31.791 ( -13.696 8.304 0.000) 16.017 31.791 ( 13.696 8.304 0.000) 16.017 32.291 ( -4.336 -4.465 0.000) 6.224 32.291 ( 4.336 -4.465 0.000) 6.224 32.518 ( -6.110 -12.518 0.000) 13.929 32.518 ( 6.110 -12.518 0.000) 13.929 33.052 ( -3.261 5.797 0.000) 6.651 33.052 ( 3.261 5.797 0.000) 6.651 33.208 ( -3.080 0.418 0.000) 3.108 33.208 ( 3.080 0.418 0.000) 3.108 34.232 ( -11.226 17.300 0.000) 20.623 34.232 ( 11.226 17.300 0.000) 20.623 34.815 ( -13.654 -10.242 0.000) 17.068 34.815 ( 13.654 -10.242 0.000) 17.068 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 0.000 -22.849 0.000) 22.849 2.376 ( 0.000 22.849 0.000) 22.849 2.850 ( 0.000 -40.863 0.000) 40.863 2.850 ( 0.000 40.863 0.000) 40.863 3.406 ( 0.000 -3.216 0.000) 3.216 3.406 ( 0.000 3.216 0.000) 3.216 3.710 ( 0.000 -0.197 0.000) 0.197 3.710 ( 0.000 0.197 0.000) 0.197 3.926 ( 0.000 -4.908 0.000) 4.908 3.926 ( 0.000 4.908 0.000) 4.908 4.361 ( 0.000 -6.551 0.000) 6.551 4.361 ( 0.000 6.551 0.000) 6.551 4.864 ( 0.000 -6.176 0.000) 6.176 4.864 ( 0.000 6.176 0.000) 6.176 5.208 ( 0.000 -27.246 0.000) 27.246 5.208 ( 0.000 27.246 0.000) 27.246 5.222 ( 0.000 -1.597 0.000) 1.597 5.222 ( 0.000 1.597 0.000) 1.597 5.332 ( 0.000 -11.080 0.000) 11.080 5.332 ( 0.000 11.080 0.000) 11.080 5.485 ( 0.000 -8.572 0.000) 8.572 5.485 ( 0.000 8.572 0.000) 8.572 5.791 ( 0.000 -19.016 0.000) 19.016 5.791 ( 0.000 19.016 0.000) 19.016 5.995 ( 0.000 -21.617 0.000) 21.617 5.995 ( 0.000 21.617 0.000) 21.617 6.234 ( 0.000 -5.491 0.000) 5.491 6.234 ( 0.000 5.491 0.000) 5.491 6.688 ( 0.000 -3.164 0.000) 3.164 6.688 ( 0.000 3.164 0.000) 3.164 6.808 ( 0.000 -7.268 0.000) 7.268 6.808 ( 0.000 7.268 0.000) 7.268 7.290 ( 0.000 -5.219 0.000) 5.219 7.290 ( 0.000 5.219 0.000) 5.219 7.455 ( 0.000 -8.385 0.000) 8.385 7.455 ( 0.000 8.385 0.000) 8.385 7.527 ( 0.000 -30.005 0.000) 30.005 7.527 ( 0.000 30.005 0.000) 30.005 7.684 ( 0.000 -1.201 0.000) 1.201 7.684 ( 0.000 1.201 0.000) 1.201 8.289 ( 0.000 -3.843 0.000) 3.843 8.289 ( 0.000 3.843 0.000) 3.843 8.934 ( 0.000 -2.986 0.000) 2.986 8.934 ( 0.000 2.986 0.000) 2.986 9.056 ( 0.000 -0.647 0.000) 0.647 9.056 ( 0.000 0.647 0.000) 0.647 9.162 ( 0.000 -5.301 0.000) 5.301 9.162 ( 0.000 5.301 0.000) 5.301 10.155 ( 0.000 -10.033 0.000) 10.033 10.155 ( 0.000 10.033 0.000) 10.033 10.179 ( 0.000 -11.973 0.000) 11.973 10.179 ( 0.000 11.973 0.000) 11.973 10.424 ( 0.000 -14.724 0.000) 14.724 10.424 ( 0.000 14.724 0.000) 14.724 10.617 ( 0.000 -30.889 0.000) 30.889 10.617 ( 0.000 30.889 0.000) 30.889 11.203 ( 0.000 -10.397 0.000) 10.397 11.203 ( 0.000 10.397 0.000) 10.397 11.434 ( 0.000 -3.189 0.000) 3.189 11.434 ( 0.000 3.189 0.000) 3.189 11.809 ( 0.000 -7.492 0.000) 7.492 11.809 ( 0.000 7.492 0.000) 7.492 12.252 ( 0.000 -7.367 0.000) 7.367 12.252 ( 0.000 7.367 0.000) 7.367 12.464 ( 0.000 -4.811 0.000) 4.811 12.464 ( 0.000 4.811 0.000) 4.811 13.323 ( 0.000 -1.038 0.000) 1.038 13.323 ( 0.000 1.038 0.000) 1.038 13.414 ( 0.000 -10.166 0.000) 10.166 13.414 ( 0.000 10.166 0.000) 10.166 13.709 ( 0.000 -5.796 0.000) 5.796 13.709 ( 0.000 5.796 0.000) 5.796 14.384 ( 0.000 -13.487 0.000) 13.487 14.384 ( 0.000 13.487 0.000) 13.487 14.424 ( 0.000 -3.312 0.000) 3.312 14.424 ( 0.000 3.312 0.000) 3.312 15.057 ( 0.000 -8.961 0.000) 8.961 15.057 ( 0.000 8.961 0.000) 8.961 15.410 ( 0.000 -5.776 0.000) 5.776 15.410 ( 0.000 5.776 0.000) 5.776 16.371 ( 0.000 -1.790 0.000) 1.790 16.371 ( 0.000 1.790 0.000) 1.790 16.516 ( 0.000 -8.594 0.000) 8.594 16.516 ( 0.000 8.594 0.000) 8.594 17.052 ( 0.000 -5.495 0.000) 5.495 17.052 ( 0.000 5.495 0.000) 5.495 17.448 ( 0.000 -2.413 0.000) 2.413 17.448 ( 0.000 2.413 0.000) 2.413 17.597 ( 0.000 -3.161 0.000) 3.161 17.597 ( 0.000 3.161 0.000) 3.161 18.060 ( 0.000 -9.297 0.000) 9.297 18.060 ( 0.000 9.297 0.000) 9.297 18.537 ( 0.000 -18.277 0.000) 18.277 18.537 ( 0.000 18.277 0.000) 18.277 18.934 ( 0.000 -12.253 0.000) 12.253 18.934 ( 0.000 12.253 0.000) 12.253 20.066 ( 0.000 -16.997 0.000) 16.997 20.066 ( 0.000 16.997 0.000) 16.997 21.279 ( 0.000 -6.362 0.000) 6.362 21.279 ( 0.000 6.362 0.000) 6.362 21.735 ( 0.000 -2.476 0.000) 2.476 21.735 ( 0.000 2.476 0.000) 2.476 21.782 ( 0.000 -26.386 0.000) 26.386 21.782 ( 0.000 26.386 0.000) 26.386 24.527 ( 0.000 -26.983 0.000) 26.983 24.527 ( 0.000 26.983 0.000) 26.983 24.559 ( 0.000 -20.135 0.000) 20.135 24.559 ( 0.000 20.135 0.000) 20.135 25.900 ( 0.000 -6.582 0.000) 6.582 25.900 ( 0.000 6.582 0.000) 6.582 26.691 ( 0.000 -5.223 0.000) 5.223 26.691 ( 0.000 5.223 0.000) 5.223 26.739 ( 0.000 -27.011 0.000) 27.011 26.739 ( 0.000 27.011 0.000) 27.011 27.113 ( 0.000 -4.899 0.000) 4.899 27.113 ( 0.000 4.899 0.000) 4.899 27.480 ( 0.000 -3.293 0.000) 3.293 27.480 ( 0.000 3.293 0.000) 3.293 27.564 ( 0.000 -8.141 0.000) 8.141 27.564 ( 0.000 8.141 0.000) 8.141 27.789 ( 0.000 -2.353 0.000) 2.353 27.789 ( 0.000 2.353 0.000) 2.353 28.316 ( 0.000 -8.275 0.000) 8.275 28.316 ( 0.000 8.275 0.000) 8.275 28.400 ( 0.000 -1.514 0.000) 1.514 28.400 ( 0.000 1.514 0.000) 1.514 28.561 ( 0.000 -5.267 0.000) 5.267 28.561 ( 0.000 5.267 0.000) 5.267 28.873 ( 0.000 -7.359 0.000) 7.359 28.873 ( 0.000 7.359 0.000) 7.359 29.233 ( 0.000 -4.368 0.000) 4.368 29.233 ( 0.000 4.368 0.000) 4.368 29.365 ( 0.000 -6.451 0.000) 6.451 29.365 ( 0.000 6.451 0.000) 6.451 29.482 ( 0.000 -0.479 0.000) 0.479 29.482 ( 0.000 0.479 0.000) 0.479 29.767 ( 0.000 -7.565 0.000) 7.565 29.767 ( 0.000 7.565 0.000) 7.565 30.255 ( 0.000 -2.068 0.000) 2.068 30.255 ( 0.000 2.068 0.000) 2.068 31.541 ( 0.000 -14.967 0.000) 14.967 31.541 ( 0.000 14.967 0.000) 14.967 31.613 ( 0.000 -5.693 0.000) 5.693 31.613 ( 0.000 5.693 0.000) 5.693 32.592 ( 0.000 -11.168 0.000) 11.168 32.592 ( 0.000 11.168 0.000) 11.168 32.668 ( 0.000 -5.617 0.000) 5.617 32.668 ( 0.000 5.617 0.000) 5.617 33.163 ( 0.000 -5.203 0.000) 5.203 33.163 ( 0.000 5.203 0.000) 5.203 33.500 ( 0.000 -1.182 0.000) 1.182 33.500 ( 0.000 1.182 0.000) 1.182 33.904 ( 0.000 -16.674 0.000) 16.674 33.904 ( 0.000 16.674 0.000) 16.674 35.147 ( 0.000 -17.324 0.000) 17.324 35.147 ( 0.000 17.324 0.000) 17.324 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 19.253 -23.035 0.000) 30.022 2.647 ( 19.253 23.035 0.000) 30.022 2.940 ( 7.515 -36.926 0.000) 37.683 2.940 ( 7.515 36.926 0.000) 37.683 3.397 ( 4.498 -1.417 0.000) 4.716 3.397 ( 4.498 1.417 0.000) 4.716 3.734 ( 1.333 -2.566 0.000) 2.891 3.734 ( 1.333 2.566 0.000) 2.891 4.044 ( 9.376 -4.037 0.000) 10.208 4.044 ( 9.376 4.037 0.000) 10.208 4.209 ( -10.087 -9.436 0.000) 13.813 4.209 ( -10.087 9.436 0.000) 13.813 4.872 ( 0.552 -6.777 0.000) 6.799 4.872 ( 0.552 6.777 0.000) 6.799 5.053 ( -17.086 -6.861 0.000) 18.412 5.053 ( -17.086 6.861 0.000) 18.412 5.250 ( 1.228 -19.353 0.000) 19.392 5.250 ( 1.228 19.353 0.000) 19.392 5.262 ( 1.817 -2.295 0.000) 2.927 5.262 ( 1.817 2.295 0.000) 2.927 5.481 ( -1.945 -8.042 0.000) 8.274 5.481 ( -1.945 8.042 0.000) 8.274 5.713 ( -6.332 -14.778 0.000) 16.078 5.713 ( -6.332 14.778 0.000) 16.078 6.111 ( -8.625 -9.567 0.000) 12.881 6.111 ( -8.625 9.567 0.000) 12.881 6.189 ( 11.288 -25.052 0.000) 27.478 6.189 ( 11.288 25.052 0.000) 27.478 6.663 ( -5.939 -4.879 0.000) 7.686 6.663 ( -5.939 4.879 0.000) 7.686 6.877 ( 5.859 -10.532 0.000) 12.052 6.877 ( 5.859 10.532 0.000) 12.052 7.114 ( -8.035 -12.320 0.000) 14.709 7.114 ( -8.035 12.320 0.000) 14.709 7.496 ( -3.424 -33.952 0.000) 34.124 7.496 ( -3.424 33.952 0.000) 34.124 7.603 ( 8.020 -13.084 0.000) 15.347 7.603 ( 8.020 13.084 0.000) 15.347 7.693 ( 1.758 -5.534 0.000) 5.807 7.693 ( 1.758 5.534 0.000) 5.807 8.269 ( -1.014 -8.292 0.000) 8.354 8.269 ( -1.014 8.292 0.000) 8.354 8.810 ( -15.281 -1.059 0.000) 15.317 8.810 ( -15.281 1.059 0.000) 15.317 9.125 ( 5.417 -13.274 0.000) 14.336 9.125 ( 5.417 13.274 0.000) 14.336 9.128 ( 2.307 -10.062 0.000) 10.323 9.128 ( 2.307 10.062 0.000) 10.323 10.139 ( -1.369 -6.835 0.000) 6.971 10.139 ( -1.369 6.835 0.000) 6.971 10.236 ( 2.863 -13.255 0.000) 13.560 10.236 ( 2.863 13.255 0.000) 13.560 10.554 ( 10.123 -8.696 0.000) 13.345 10.554 ( 10.123 8.696 0.000) 13.345 10.583 ( -0.451 -23.573 0.000) 23.578 10.583 ( -0.451 23.573 0.000) 23.578 11.245 ( 3.699 -14.101 0.000) 14.579 11.245 ( 3.699 14.101 0.000) 14.579 11.382 ( -1.037 -2.624 0.000) 2.822 11.382 ( -1.037 2.624 0.000) 2.822 11.966 ( 9.245 -3.440 0.000) 9.864 11.966 ( 9.245 3.440 0.000) 9.864 12.270 ( 3.410 -8.563 0.000) 9.218 12.270 ( 3.410 8.563 0.000) 9.218 12.524 ( 4.356 -5.418 0.000) 6.951 12.524 ( 4.356 5.418 0.000) 6.951 13.138 ( -15.138 -2.886 0.000) 15.411 13.138 ( -15.138 2.886 0.000) 15.411 13.456 ( 3.018 -8.851 0.000) 9.351 13.456 ( 3.018 8.851 0.000) 9.351 13.704 ( -0.485 -6.092 0.000) 6.111 13.704 ( -0.485 6.092 0.000) 6.111 14.335 ( -4.438 -13.334 0.000) 14.053 14.335 ( -4.438 13.334 0.000) 14.053 14.378 ( -4.727 -7.292 0.000) 8.690 14.378 ( -4.727 7.292 0.000) 8.690 15.091 ( 3.076 -10.541 0.000) 10.980 15.091 ( 3.076 10.541 0.000) 10.980 15.354 ( -4.560 -7.162 0.000) 8.490 15.354 ( -4.560 7.162 0.000) 8.490 16.389 ( 1.201 -5.578 0.000) 5.706 16.389 ( 1.201 5.578 0.000) 5.706 16.483 ( -2.815 -11.656 0.000) 11.991 16.483 ( -2.815 11.656 0.000) 11.991 17.065 ( 1.561 -7.089 0.000) 7.259 17.065 ( 1.561 7.089 0.000) 7.259 17.408 ( -3.159 -6.204 0.000) 6.962 17.408 ( -3.159 6.204 0.000) 6.962 17.653 ( 4.531 -5.877 0.000) 7.421 17.653 ( 4.531 5.877 0.000) 7.421 18.039 ( -1.999 -9.471 0.000) 9.680 18.039 ( -1.999 9.471 0.000) 9.680 18.576 ( 3.564 -18.542 0.000) 18.882 18.576 ( 3.564 18.542 0.000) 18.882 18.926 ( -1.120 -13.954 0.000) 13.998 18.926 ( -1.120 13.954 0.000) 13.998 20.137 ( 6.824 -16.446 0.000) 17.805 20.137 ( 6.824 16.446 0.000) 17.805 21.186 ( -8.637 -8.438 0.000) 12.075 21.186 ( -8.637 8.438 0.000) 12.075 21.757 ( 1.875 -4.126 0.000) 4.532 21.757 ( 1.875 4.126 0.000) 4.532 21.800 ( 1.384 -24.071 0.000) 24.110 21.800 ( 1.384 24.071 0.000) 24.110 24.518 ( -0.579 -27.219 0.000) 27.225 24.518 ( -0.579 27.219 0.000) 27.225 24.575 ( 1.140 -20.297 0.000) 20.329 24.575 ( 1.140 20.297 0.000) 20.329 25.939 ( 3.876 -6.591 0.000) 7.646 25.939 ( 3.876 6.591 0.000) 7.646 26.637 ( -5.265 -5.576 0.000) 7.669 26.637 ( -5.265 5.576 0.000) 7.669 26.827 ( 7.607 -25.690 0.000) 26.792 26.827 ( 7.607 25.690 0.000) 26.792 27.100 ( -1.111 -3.516 0.000) 3.687 27.100 ( -1.111 3.516 0.000) 3.687 27.473 ( -0.524 -3.254 0.000) 3.296 27.473 ( -0.524 3.254 0.000) 3.296 27.507 ( -2.389 -8.736 0.000) 9.057 27.507 ( -2.389 8.736 0.000) 9.057 27.890 ( 6.487 -0.153 0.000) 6.488 27.890 ( 6.487 0.153 0.000) 6.488 28.348 ( 2.781 -8.979 0.000) 9.400 28.348 ( 2.781 8.979 0.000) 9.400 28.370 ( -0.822 -2.914 0.000) 3.028 28.370 ( -0.822 2.914 0.000) 3.028 28.532 ( -3.106 -6.886 0.000) 7.554 28.532 ( -3.106 6.886 0.000) 7.554 28.950 ( 4.603 -0.329 0.000) 4.615 28.950 ( 4.603 0.329 0.000) 4.615 29.157 ( -6.156 -6.775 0.000) 9.154 29.157 ( -6.156 6.775 0.000) 9.154 29.382 ( 1.629 -7.234 0.000) 7.416 29.382 ( 1.629 7.234 0.000) 7.416 29.483 ( -0.306 -4.722 0.000) 4.732 29.483 ( -0.306 4.722 0.000) 4.732 29.812 ( 4.526 -5.962 0.000) 7.486 29.812 ( 4.526 5.962 0.000) 7.486 30.251 ( -0.659 -2.658 0.000) 2.738 30.251 ( -0.659 2.658 0.000) 2.738 31.600 ( 5.569 -14.027 0.000) 15.092 31.600 ( 5.569 14.027 0.000) 15.092 31.628 ( 1.641 -8.008 0.000) 8.175 31.628 ( 1.641 8.008 0.000) 8.175 32.501 ( -8.150 -11.932 0.000) 14.449 32.501 ( -8.150 11.932 0.000) 14.449 32.637 ( -3.361 -5.992 0.000) 6.870 32.637 ( -3.361 5.992 0.000) 6.870 33.163 ( -0.037 -6.945 0.000) 6.945 33.163 ( -0.037 6.945 0.000) 6.945 33.366 ( -9.243 -4.355 0.000) 10.217 33.366 ( -9.243 4.355 0.000) 10.217 34.052 ( 11.096 -13.695 0.000) 17.626 34.052 ( 11.096 13.695 0.000) 17.626 35.054 ( -8.418 -16.604 0.000) 18.616 35.054 ( -8.418 16.604 0.000) 18.616 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 3.132 -19.665 0.000) 19.912 2.862 ( 3.132 19.665 0.000) 19.912 3.050 ( -0.350 -19.714 0.000) 19.717 3.050 ( -0.350 19.714 0.000) 19.717 3.754 ( 23.170 -5.186 0.000) 23.743 3.754 ( 23.170 5.186 0.000) 23.743 3.759 ( 4.461 -1.433 0.000) 4.685 3.759 ( 4.461 1.433 0.000) 4.685 4.133 ( 2.903 -15.621 0.000) 15.888 4.133 ( 2.903 15.621 0.000) 15.888 4.223 ( 4.780 -2.730 0.000) 5.505 4.223 ( 4.780 2.730 0.000) 5.505 4.747 ( -8.096 -8.812 0.000) 11.966 4.747 ( -8.096 8.812 0.000) 11.966 4.868 ( -1.390 -8.580 0.000) 8.692 4.868 ( -1.390 8.580 0.000) 8.692 5.237 ( -4.560 -6.159 0.000) 7.663 5.237 ( -4.560 6.159 0.000) 7.663 5.294 ( -4.438 -9.789 0.000) 10.748 5.294 ( -4.438 9.789 0.000) 10.748 5.383 ( 0.880 -21.085 0.000) 21.104 5.383 ( 0.880 21.085 0.000) 21.104 5.599 ( -3.142 -5.981 0.000) 6.756 5.599 ( -3.142 5.981 0.000) 6.756 5.960 ( -3.571 -2.809 0.000) 4.544 5.960 ( -3.571 2.809 0.000) 4.544 6.398 ( -18.566 -3.178 0.000) 18.836 6.398 ( -18.566 3.178 0.000) 18.836 6.402 ( 9.395 -18.393 0.000) 20.654 6.402 ( 9.395 18.393 0.000) 20.654 6.838 ( -8.553 -4.251 0.000) 9.551 6.838 ( -8.553 4.251 0.000) 9.551 7.145 ( 6.875 -12.531 0.000) 14.293 7.145 ( 6.875 12.531 0.000) 14.293 7.393 ( -5.785 -30.512 0.000) 31.055 7.393 ( -5.785 30.512 0.000) 31.055 7.763 ( 7.623 -12.449 0.000) 14.597 7.763 ( 7.623 12.449 0.000) 14.597 7.774 ( 5.343 -5.970 0.000) 8.012 7.774 ( 5.343 5.970 0.000) 8.012 8.256 ( -0.749 -6.631 0.000) 6.673 8.256 ( -0.749 6.631 0.000) 6.673 8.442 ( -15.954 -1.032 0.000) 15.987 8.442 ( -15.954 1.032 0.000) 15.987 9.221 ( 4.597 -8.200 0.000) 9.401 9.221 ( 4.597 8.200 0.000) 9.401 9.233 ( 4.232 -15.011 0.000) 15.596 9.233 ( 4.232 15.011 0.000) 15.596 10.106 ( -1.383 -6.056 0.000) 6.212 10.106 ( -1.383 6.056 0.000) 6.212 10.195 ( -5.272 -14.010 0.000) 14.969 10.195 ( -5.272 14.010 0.000) 14.969 10.690 ( 8.525 -11.415 0.000) 14.247 10.690 ( 8.525 11.415 0.000) 14.247 10.751 ( 7.341 -10.589 0.000) 12.884 10.751 ( 7.341 10.589 0.000) 12.884 11.342 ( 5.475 -15.148 0.000) 16.107 11.342 ( 5.475 15.148 0.000) 16.107 11.435 ( 4.357 -5.613 0.000) 7.105 11.435 ( 4.357 5.613 0.000) 7.105 12.062 ( 2.817 -8.258 0.000) 8.725 12.062 ( 2.817 8.258 0.000) 8.725 12.444 ( 11.139 -3.454 0.000) 11.662 12.444 ( 11.139 3.454 0.000) 11.662 12.535 ( -7.515 -8.129 0.000) 11.071 12.535 ( -7.515 8.129 0.000) 11.071 12.806 ( -12.528 -2.996 0.000) 12.881 12.806 ( -12.528 2.996 0.000) 12.881 13.543 ( 5.227 -9.543 0.000) 10.881 13.543 ( 5.227 9.543 0.000) 10.881 13.690 ( -1.007 -6.276 0.000) 6.356 13.690 ( -1.007 6.276 0.000) 6.356 14.223 ( -5.487 -11.771 0.000) 12.987 14.223 ( -5.487 11.771 0.000) 12.987 14.246 ( -6.725 -10.785 0.000) 12.710 14.246 ( -6.725 10.785 0.000) 12.710 15.162 ( 3.163 -13.530 0.000) 13.895 15.162 ( 3.163 13.530 0.000) 13.895 15.263 ( -3.529 -10.442 0.000) 11.023 15.263 ( -3.529 10.442 0.000) 11.023 16.400 ( -0.196 -12.203 0.000) 12.205 16.400 ( -0.196 12.203 0.000) 12.205 16.422 ( -2.465 -15.529 0.000) 15.724 16.422 ( -2.465 15.529 0.000) 15.724 17.125 ( 4.201 -9.053 0.000) 9.980 17.125 ( 4.201 9.053 0.000) 9.980 17.329 ( -4.392 -9.177 0.000) 10.174 17.329 ( -4.392 9.177 0.000) 10.174 17.762 ( 5.694 -8.612 0.000) 10.324 17.762 ( 5.694 8.612 0.000) 10.324 17.977 ( -3.954 -9.832 0.000) 10.598 17.977 ( -3.954 9.832 0.000) 10.598 18.671 ( 5.316 -18.673 0.000) 19.415 18.671 ( 5.316 18.673 0.000) 19.415 18.877 ( -3.609 -16.437 0.000) 16.829 18.877 ( -3.609 16.437 0.000) 16.829 20.341 ( 12.500 -14.984 0.000) 19.513 20.341 ( 12.500 14.984 0.000) 19.513 20.945 ( -14.023 -11.160 0.000) 17.921 20.945 ( -14.023 11.160 0.000) 17.921 21.798 ( 1.807 -8.016 0.000) 8.218 21.798 ( 1.807 8.016 0.000) 8.218 21.824 ( 0.733 -18.907 0.000) 18.921 21.824 ( 0.733 18.907 0.000) 18.921 24.520 ( 1.019 -26.309 0.000) 26.329 24.520 ( 1.019 26.309 0.000) 26.329 24.586 ( -0.468 -21.294 0.000) 21.299 24.586 ( -0.468 21.294 0.000) 21.299 26.062 ( 7.874 -6.661 0.000) 10.313 26.062 ( 7.874 6.661 0.000) 10.313 26.475 ( -9.915 -6.141 0.000) 11.663 26.475 ( -9.915 6.141 0.000) 11.663 26.998 ( 7.353 -21.720 0.000) 22.931 26.998 ( 7.353 21.720 0.000) 22.931 27.087 ( 0.215 -6.674 0.000) 6.677 27.087 ( 0.215 6.674 0.000) 6.677 27.467 ( 0.315 -3.546 0.000) 3.560 27.467 ( 0.315 3.546 0.000) 3.560 27.501 ( 0.796 -6.322 0.000) 6.372 27.501 ( 0.796 6.322 0.000) 6.372 28.004 ( 5.364 -7.408 0.000) 9.146 28.004 ( 5.364 7.408 0.000) 9.146 28.363 ( -6.003 -14.657 0.000) 15.839 28.363 ( -6.003 14.657 0.000) 15.839 28.410 ( 3.983 -6.918 0.000) 7.982 28.410 ( 3.983 6.918 0.000) 7.982 28.462 ( 0.144 -6.451 0.000) 6.452 28.462 ( 0.144 6.451 0.000) 6.452 28.994 ( -0.185 -5.134 0.000) 5.138 28.994 ( -0.185 5.134 0.000) 5.138 29.035 ( -4.625 -5.706 0.000) 7.345 29.035 ( -4.625 5.706 0.000) 7.345 29.420 ( 1.589 -5.802 0.000) 6.016 29.420 ( 1.589 5.802 0.000) 6.016 29.466 ( -1.118 -4.084 0.000) 4.234 29.466 ( -1.118 4.084 0.000) 4.234 29.950 ( 8.166 -4.938 0.000) 9.543 29.950 ( 8.166 4.938 0.000) 9.543 30.214 ( -3.186 -4.022 0.000) 5.131 30.214 ( -3.186 4.022 0.000) 5.131 31.694 ( 4.864 -11.117 0.000) 12.134 31.694 ( 4.864 11.117 0.000) 12.134 31.752 ( 7.730 -8.404 0.000) 11.418 31.752 ( 7.730 8.404 0.000) 11.418 32.310 ( -8.087 -10.149 0.000) 12.977 32.310 ( -8.087 10.149 0.000) 12.977 32.505 ( -9.525 -7.973 0.000) 12.422 32.505 ( -9.525 7.973 0.000) 12.422 33.161 ( -0.156 -6.952 0.000) 6.954 33.161 ( -0.156 6.952 0.000) 6.954 33.212 ( -4.758 -3.344 0.000) 5.816 33.212 ( -4.758 3.344 0.000) 5.816 34.300 ( 12.447 -12.586 0.000) 17.701 34.300 ( 12.447 12.586 0.000) 17.701 34.830 ( -12.418 -15.041 0.000) 19.505 34.830 ( -12.418 15.041 0.000) 19.505 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -6.146 -10.376 0.000) 12.060 2.946 ( 6.146 -10.376 0.000) 12.060 2.946 ( -6.146 10.376 0.000) 12.060 2.946 ( 6.146 10.376 0.000) 12.060 3.946 ( -7.604 -9.405 0.000) 12.095 3.946 ( 7.604 -9.405 0.000) 12.095 3.946 ( -7.604 9.405 0.000) 12.095 3.946 ( 7.604 9.405 0.000) 12.095 4.202 ( -1.963 -13.848 0.000) 13.987 4.202 ( 1.963 -13.848 0.000) 13.987 4.202 ( -1.963 13.848 0.000) 13.987 4.202 ( 1.963 13.848 0.000) 13.987 4.795 ( -6.351 -5.930 0.000) 8.689 4.795 ( 6.351 -5.930 0.000) 8.689 4.795 ( -6.351 5.930 0.000) 8.689 4.795 ( 6.351 5.930 0.000) 8.689 5.156 ( -0.823 -10.043 0.000) 10.076 5.156 ( 0.823 -10.043 0.000) 10.076 5.156 ( -0.823 10.043 0.000) 10.076 5.156 ( 0.823 10.043 0.000) 10.076 5.541 ( -6.036 -6.188 0.000) 8.644 5.541 ( 6.036 -6.188 0.000) 8.644 5.541 ( -6.036 6.188 0.000) 8.644 5.541 ( 6.036 6.188 0.000) 8.644 6.020 ( -12.397 -2.242 0.000) 12.598 6.020 ( -12.397 2.242 0.000) 12.598 6.020 ( 12.397 -2.242 0.000) 12.598 6.020 ( 12.397 2.242 0.000) 12.598 6.617 ( -11.464 -12.681 0.000) 17.095 6.617 ( 11.464 -12.681 0.000) 17.095 6.617 ( -11.464 12.681 0.000) 17.095 6.617 ( 11.464 12.681 0.000) 17.095 7.274 ( -5.712 -23.045 0.000) 23.742 7.274 ( 5.712 -23.045 0.000) 23.742 7.274 ( -5.712 23.045 0.000) 23.742 7.274 ( 5.712 23.045 0.000) 23.742 7.857 ( -0.579 -9.125 0.000) 9.144 7.857 ( 0.579 -9.125 0.000) 9.144 7.857 ( -0.579 9.125 0.000) 9.144 7.857 ( 0.579 9.125 0.000) 9.144 8.249 ( -2.283 -2.351 0.000) 3.277 8.249 ( 2.283 -2.351 0.000) 3.277 8.249 ( -2.283 2.351 0.000) 3.277 8.249 ( 2.283 2.351 0.000) 3.277 9.277 ( -0.349 -10.883 0.000) 10.889 9.277 ( 0.349 -10.883 0.000) 10.889 9.277 ( -0.349 10.883 0.000) 10.889 9.277 ( 0.349 10.883 0.000) 10.889 10.108 ( -2.144 -10.552 0.000) 10.767 10.108 ( 2.144 -10.552 0.000) 10.767 10.108 ( -2.144 10.552 0.000) 10.767 10.108 ( 2.144 10.552 0.000) 10.767 10.814 ( -1.821 -12.928 0.000) 13.055 10.814 ( 1.821 -12.928 0.000) 13.055 10.814 ( -1.821 12.928 0.000) 13.055 10.814 ( 1.821 12.928 0.000) 13.055 11.451 ( -3.649 -12.242 0.000) 12.774 11.451 ( 3.649 -12.242 0.000) 12.774 11.451 ( -3.649 12.242 0.000) 12.774 11.451 ( 3.649 12.242 0.000) 12.774 12.237 ( -14.798 -7.332 0.000) 16.515 12.237 ( -14.798 7.332 0.000) 16.515 12.237 ( 14.798 -7.332 0.000) 16.515 12.237 ( 14.798 7.332 0.000) 16.515 12.643 ( -7.433 -5.342 0.000) 9.154 12.643 ( 7.433 -5.342 0.000) 9.154 12.643 ( -7.433 5.342 0.000) 9.154 12.643 ( 7.433 5.342 0.000) 9.154 13.645 ( -3.761 -6.545 0.000) 7.549 13.645 ( 3.761 -6.545 0.000) 7.549 13.645 ( -3.761 6.545 0.000) 7.549 13.645 ( 3.761 6.545 0.000) 7.549 14.159 ( -0.516 -9.478 0.000) 9.492 14.159 ( 0.516 -9.478 0.000) 9.492 14.159 ( -0.516 9.478 0.000) 9.492 14.159 ( 0.516 9.478 0.000) 9.492 15.212 ( -1.896 -13.682 0.000) 13.813 15.212 ( 1.896 -13.682 0.000) 13.813 15.212 ( -1.896 13.682 0.000) 13.813 15.212 ( 1.896 13.682 0.000) 13.813 16.395 ( -0.199 -16.175 0.000) 16.177 16.395 ( 0.199 -16.175 0.000) 16.177 16.395 ( -0.199 16.175 0.000) 16.177 16.395 ( 0.199 16.175 0.000) 16.177 17.228 ( -5.263 -9.853 0.000) 11.171 17.228 ( 5.263 -9.853 0.000) 11.171 17.228 ( -5.263 9.853 0.000) 11.171 17.228 ( 5.263 9.853 0.000) 11.171 17.879 ( -5.373 -9.791 0.000) 11.168 17.879 ( 5.373 -9.791 0.000) 11.168 17.879 ( -5.373 9.791 0.000) 11.168 17.879 ( 5.373 9.791 0.000) 11.168 18.783 ( -5.202 -18.033 0.000) 18.768 18.783 ( 5.202 -18.033 0.000) 18.768 18.783 ( -5.202 18.033 0.000) 18.768 18.783 ( 5.202 18.033 0.000) 18.768 20.634 ( -15.249 -13.186 0.000) 20.160 20.634 ( 15.249 -13.186 0.000) 20.160 20.634 ( -15.249 13.186 0.000) 20.160 20.634 ( 15.249 13.186 0.000) 20.160 21.825 ( -0.675 -13.200 0.000) 13.217 21.825 ( 0.675 -13.200 0.000) 13.217 21.825 ( -0.675 13.200 0.000) 13.217 21.825 ( 0.675 13.200 0.000) 13.217 24.556 ( -2.044 -23.715 0.000) 23.803 24.556 ( 2.044 -23.715 0.000) 23.803 24.556 ( -2.044 23.715 0.000) 23.803 24.556 ( 2.044 23.715 0.000) 23.803 26.256 ( -10.518 -6.586 0.000) 12.410 26.256 ( 10.518 -6.586 0.000) 12.410 26.256 ( -10.518 6.586 0.000) 12.410 26.256 ( 10.518 6.586 0.000) 12.410 27.088 ( -1.271 -14.281 0.000) 14.338 27.088 ( 1.271 -14.281 0.000) 14.338 27.088 ( -1.271 14.281 0.000) 14.338 27.088 ( 1.271 14.281 0.000) 14.338 27.493 ( -1.624 -4.972 0.000) 5.230 27.493 ( 1.624 -4.972 0.000) 5.230 27.493 ( -1.624 4.972 0.000) 5.230 27.493 ( 1.624 4.972 0.000) 5.230 28.163 ( -10.103 -13.708 0.000) 17.029 28.163 ( 10.103 -13.708 0.000) 17.029 28.163 ( -10.103 13.708 0.000) 17.029 28.163 ( 10.103 13.708 0.000) 17.029 28.475 ( -1.170 -8.114 0.000) 8.198 28.475 ( 1.170 -8.114 0.000) 8.198 28.475 ( -1.170 8.114 0.000) 8.198 28.475 ( 1.170 8.114 0.000) 8.198 28.984 ( -0.348 -5.094 0.000) 5.106 28.984 ( 0.348 -5.094 0.000) 5.106 28.984 ( -0.348 5.094 0.000) 5.106 28.984 ( 0.348 5.094 0.000) 5.106 29.444 ( -0.982 -3.973 0.000) 4.092 29.444 ( 0.982 -3.973 0.000) 4.092 29.444 ( -0.982 3.973 0.000) 4.092 29.444 ( 0.982 3.973 0.000) 4.092 30.112 ( -6.699 -5.074 0.000) 8.403 30.112 ( 6.699 -5.074 0.000) 8.403 30.112 ( -6.699 5.074 0.000) 8.403 30.112 ( 6.699 5.074 0.000) 8.403 31.805 ( -3.850 -8.379 0.000) 9.221 31.805 ( 3.850 -8.379 0.000) 9.221 31.805 ( -3.850 8.379 0.000) 9.221 31.805 ( 3.850 8.379 0.000) 9.221 32.296 ( -7.757 -6.567 0.000) 10.163 32.296 ( 7.757 -6.567 0.000) 10.163 32.296 ( -7.757 6.567 0.000) 10.163 32.296 ( 7.757 6.567 0.000) 10.163 33.163 ( -0.675 -4.110 0.000) 4.165 33.163 ( 0.675 -4.110 0.000) 4.165 33.163 ( -0.675 4.110 0.000) 4.165 33.163 ( 0.675 4.110 0.000) 4.165 34.564 ( -12.963 -13.406 0.000) 18.648 34.564 ( 12.963 -13.406 0.000) 18.648 34.564 ( -12.963 13.406 0.000) 18.648 34.564 ( 12.963 13.406 0.000) 18.648 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 0.000 41.512) 41.512 1.051 ( 0.000 0.000 54.268) 54.268 1.633 ( 0.000 0.000 82.663) 82.663 3.106 ( 0.000 0.000 19.930) 19.930 3.219 ( 0.000 0.000 -3.192) 3.192 3.683 ( 0.000 0.000 6.461) 6.461 3.748 ( 0.000 0.000 1.619) 1.619 3.762 ( 0.000 0.000 -2.766) 2.766 4.068 ( 0.000 0.000 1.294) 1.294 4.239 ( 0.000 0.000 -7.566) 7.566 4.340 ( 0.000 0.000 5.930) 5.930 4.438 ( 0.000 0.000 -17.903) 17.903 4.645 ( 0.000 0.000 -12.651) 12.651 4.735 ( 0.000 0.000 -9.650) 9.650 4.799 ( 0.000 0.000 12.203) 12.203 4.909 ( 0.000 0.000 10.814) 10.814 5.243 ( 0.000 0.000 2.386) 2.386 5.300 ( 0.000 0.000 7.111) 7.111 5.346 ( 0.000 0.000 -3.008) 3.008 5.422 ( 0.000 0.000 -14.094) 14.094 5.482 ( 0.000 0.000 -8.009) 8.009 5.523 ( 0.000 0.000 -2.943) 2.943 5.843 ( 0.000 0.000 21.000) 21.000 5.875 ( 0.000 0.000 2.269) 2.269 6.006 ( 0.000 0.000 0.291) 0.291 6.093 ( 0.000 0.000 -1.280) 1.280 6.099 ( 0.000 0.000 4.173) 4.173 6.104 ( 0.000 0.000 9.649) 9.649 6.244 ( 0.000 0.000 -4.392) 4.392 6.453 ( 0.000 0.000 -1.000) 1.000 6.862 ( 0.000 0.000 19.268) 19.268 7.046 ( 0.000 0.000 -4.449) 4.449 7.290 ( 0.000 0.000 -18.191) 18.191 7.330 ( 0.000 0.000 -17.762) 17.762 7.387 ( 0.000 0.000 7.037) 7.037 7.518 ( 0.000 0.000 -9.915) 9.915 8.008 ( 0.000 0.000 -19.904) 19.904 8.119 ( 0.000 0.000 4.309) 4.309 8.141 ( 0.000 0.000 5.689) 5.689 8.285 ( 0.000 0.000 10.698) 10.698 8.305 ( 0.000 0.000 -24.798) 24.798 8.569 ( 0.000 0.000 -20.860) 20.860 8.607 ( 0.000 0.000 -4.398) 4.398 8.744 ( 0.000 0.000 -8.092) 8.092 9.042 ( 0.000 0.000 3.987) 3.987 9.264 ( 0.000 0.000 13.513) 13.513 9.388 ( 0.000 0.000 -7.721) 7.721 9.431 ( 0.000 0.000 -3.246) 3.246 9.749 ( 0.000 0.000 7.355) 7.355 9.758 ( 0.000 0.000 15.258) 15.258 9.959 ( 0.000 0.000 32.325) 32.325 9.969 ( 0.000 0.000 -1.492) 1.492 10.279 ( 0.000 0.000 10.631) 10.631 10.431 ( 0.000 0.000 5.083) 5.083 10.571 ( 0.000 0.000 -7.692) 7.692 10.907 ( 0.000 0.000 -14.509) 14.509 11.372 ( 0.000 0.000 -0.574) 0.574 11.446 ( 0.000 0.000 11.534) 11.534 11.699 ( 0.000 0.000 3.896) 3.896 11.703 ( 0.000 0.000 -14.269) 14.269 11.910 ( 0.000 0.000 -17.125) 17.125 12.030 ( 0.000 0.000 8.320) 8.320 12.192 ( 0.000 0.000 3.298) 3.298 12.204 ( 0.000 0.000 -3.593) 3.593 12.673 ( 0.000 0.000 18.925) 18.925 12.705 ( 0.000 0.000 0.883) 0.883 12.859 ( 0.000 0.000 7.201) 7.201 12.880 ( 0.000 0.000 -8.903) 8.903 13.052 ( 0.000 0.000 -2.520) 2.520 13.151 ( 0.000 0.000 -5.267) 5.267 13.204 ( 0.000 0.000 -5.655) 5.655 13.647 ( 0.000 0.000 -12.593) 12.593 13.703 ( 0.000 0.000 16.864) 16.864 13.931 ( 0.000 0.000 -11.016) 11.016 14.118 ( 0.000 0.000 9.661) 9.661 14.778 ( 0.000 0.000 -8.687) 8.687 15.070 ( 0.000 0.000 7.925) 7.925 15.229 ( 0.000 0.000 -0.277) 0.277 15.938 ( 0.000 0.000 -11.699) 11.699 15.963 ( 0.000 0.000 7.219) 7.219 16.013 ( 0.000 0.000 0.392) 0.392 16.283 ( 0.000 0.000 4.259) 4.259 16.379 ( 0.000 0.000 -14.338) 14.338 16.822 ( 0.000 0.000 2.862) 2.862 16.840 ( 0.000 0.000 -10.315) 10.315 17.447 ( 0.000 0.000 3.555) 3.555 17.638 ( 0.000 0.000 -10.229) 10.229 17.694 ( 0.000 0.000 -0.320) 0.320 17.858 ( 0.000 0.000 2.821) 2.821 18.033 ( 0.000 0.000 -0.323) 0.323 18.146 ( 0.000 0.000 -4.526) 4.526 18.167 ( 0.000 0.000 -0.215) 0.215 18.332 ( 0.000 0.000 2.567) 2.567 18.432 ( 0.000 0.000 -1.324) 1.324 19.070 ( 0.000 0.000 7.218) 7.218 19.466 ( 0.000 0.000 -0.042) 0.042 19.639 ( 0.000 0.000 2.559) 2.559 20.234 ( 0.000 0.000 -15.119) 15.119 20.417 ( 0.000 0.000 2.668) 2.668 21.103 ( 0.000 0.000 13.499) 13.499 21.265 ( 0.000 0.000 0.944) 0.944 21.614 ( 0.000 0.000 -20.749) 20.749 21.965 ( 0.000 0.000 11.282) 11.282 22.683 ( 0.000 0.000 5.244) 5.244 23.022 ( 0.000 0.000 11.488) 11.488 23.967 ( 0.000 0.000 14.467) 14.467 25.013 ( 0.000 0.000 -19.252) 19.252 25.538 ( 0.000 0.000 1.601) 1.601 25.583 ( 0.000 0.000 -17.606) 17.606 25.802 ( 0.000 0.000 12.274) 12.274 26.070 ( 0.000 0.000 -8.796) 8.796 26.262 ( 0.000 0.000 1.868) 1.868 26.493 ( 0.000 0.000 2.148) 2.148 26.824 ( 0.000 0.000 15.023) 15.023 26.934 ( 0.000 0.000 -4.284) 4.284 27.378 ( 0.000 0.000 4.040) 4.040 27.401 ( 0.000 0.000 5.764) 5.764 27.498 ( 0.000 0.000 5.340) 5.340 27.704 ( 0.000 0.000 -3.043) 3.043 27.902 ( 0.000 0.000 -0.750) 0.750 27.967 ( 0.000 0.000 -3.299) 3.299 28.162 ( 0.000 0.000 -6.883) 6.883 28.204 ( 0.000 0.000 5.319) 5.319 28.263 ( 0.000 0.000 6.523) 6.523 28.562 ( 0.000 0.000 -2.818) 2.818 28.731 ( 0.000 0.000 -1.686) 1.686 28.743 ( 0.000 0.000 4.208) 4.208 28.874 ( 0.000 0.000 -2.069) 2.069 28.899 ( 0.000 0.000 1.291) 1.291 28.903 ( 0.000 0.000 0.469) 0.469 28.942 ( 0.000 0.000 -0.080) 0.080 29.162 ( 0.000 0.000 -1.852) 1.852 29.521 ( 0.000 0.000 0.264) 0.264 29.805 ( 0.000 0.000 1.197) 1.197 29.841 ( 0.000 0.000 -0.280) 0.280 29.955 ( 0.000 0.000 -15.195) 15.195 30.151 ( 0.000 0.000 -0.511) 0.511 30.171 ( 0.000 0.000 -0.343) 0.343 30.179 ( 0.000 0.000 0.883) 0.883 30.488 ( 0.000 0.000 3.413) 3.413 30.749 ( 0.000 0.000 14.683) 14.683 31.188 ( 0.000 0.000 8.146) 8.146 31.854 ( 0.000 0.000 -3.672) 3.672 32.271 ( 0.000 0.000 -8.313) 8.313 32.372 ( 0.000 0.000 4.861) 4.861 32.691 ( 0.000 0.000 -2.132) 2.132 32.751 ( 0.000 0.000 3.902) 3.902 32.964 ( 0.000 0.000 -2.166) 2.166 33.002 ( 0.000 0.000 0.403) 0.403 33.055 ( 0.000 0.000 0.179) 0.179 33.107 ( 0.000 0.000 -6.542) 6.542 33.142 ( 0.000 0.000 -1.993) 1.993 33.525 ( 0.000 0.000 6.472) 6.472 34.018 ( 0.000 0.000 -3.550) 3.550 34.581 ( 0.000 0.000 -2.472) 2.472 34.810 ( 0.000 0.000 -5.019) 5.019 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 24.945 0.000 30.336) 39.275 1.406 ( 31.572 0.000 37.113) 48.726 2.203 ( 43.864 0.000 58.594) 73.194 3.152 ( 10.790 0.000 7.961) 13.409 3.585 ( 19.504 0.000 -2.919) 19.722 3.597 ( -2.040 0.000 5.984) 6.323 3.804 ( 5.367 0.000 -1.037) 5.466 3.911 ( -4.909 0.000 -1.545) 5.147 4.040 ( 5.099 0.000 -5.325) 7.373 4.050 ( -14.580 0.000 14.135) 20.307 4.270 ( 4.570 0.000 -0.276) 4.579 4.473 ( 1.344 0.000 -14.934) 14.995 4.545 ( -10.791 0.000 -8.963) 14.027 4.709 ( -4.035 0.000 -10.227) 10.994 4.833 ( -2.914 0.000 6.573) 7.190 4.854 ( 2.986 0.000 8.581) 9.085 5.193 ( -4.674 0.000 -2.866) 5.482 5.206 ( -5.236 0.000 1.968) 5.594 5.318 ( -4.691 0.000 2.070) 5.127 5.394 ( 0.464 0.000 -7.593) 7.607 5.465 ( -6.150 0.000 -4.734) 7.761 5.637 ( -8.733 0.000 -9.488) 12.895 5.690 ( 6.292 0.000 5.419) 8.304 5.744 ( -7.717 0.000 -3.240) 8.369 5.882 ( -9.738 0.000 17.168) 19.738 5.930 ( -1.360 0.000 2.682) 3.007 6.090 ( -6.463 0.000 2.462) 6.916 6.283 ( 2.785 0.000 3.399) 4.394 6.286 ( -0.074 0.000 -4.909) 4.909 6.491 ( 2.393 0.000 4.598) 5.183 6.814 ( 1.016 0.000 13.564) 13.602 6.975 ( -20.618 0.000 11.657) 23.685 7.271 ( 11.887 0.000 -8.519) 14.624 7.365 ( 3.101 0.000 -14.242) 14.576 7.520 ( 15.473 0.000 -9.651) 18.236 7.599 ( -6.810 0.000 -4.467) 8.145 7.757 ( -10.846 0.000 -16.275) 19.558 8.141 ( 2.083 0.000 -0.309) 2.106 8.215 ( 3.927 0.000 13.036) 13.615 8.241 ( -1.495 0.000 -13.728) 13.810 8.434 ( 9.440 0.000 4.026) 10.262 8.519 ( 5.771 0.000 -19.616) 20.447 8.678 ( -5.296 0.000 -5.463) 7.608 8.872 ( -10.041 0.000 -4.010) 10.812 9.034 ( -3.596 0.000 0.696) 3.663 9.079 ( 5.927 0.000 8.274) 10.178 9.114 ( -16.524 0.000 -3.090) 16.811 9.265 ( -12.244 0.000 2.032) 12.411 9.681 ( -5.690 0.000 28.973) 29.527 9.952 ( 10.800 0.000 4.356) 11.646 10.057 ( 4.832 0.000 8.780) 10.021 10.076 ( 10.585 0.000 4.165) 11.375 10.475 ( 16.381 0.000 3.928) 16.845 10.515 ( 7.247 0.000 7.825) 10.665 10.700 ( 12.150 0.000 -19.487) 22.964 11.001 ( -18.954 0.000 6.250) 19.958 11.027 ( 6.958 0.000 -15.159) 16.679 11.575 ( -10.254 0.000 -12.303) 16.016 11.606 ( 12.478 0.000 14.253) 18.943 11.633 ( -7.696 0.000 -3.073) 8.287 11.894 ( -1.048 0.000 -19.167) 19.196 12.117 ( 6.228 0.000 5.215) 8.123 12.276 ( 5.811 0.000 -2.177) 6.205 12.317 ( 8.922 0.000 0.950) 8.973 12.666 ( -3.711 0.000 0.323) 3.725 12.666 ( -0.638 0.000 17.828) 17.840 12.740 ( -2.760 0.000 13.202) 13.488 12.870 ( -1.980 0.000 -7.227) 7.494 12.982 ( -5.049 0.000 -2.737) 5.743 13.183 ( 0.135 0.000 -6.614) 6.616 13.232 ( 2.652 0.000 -2.591) 3.708 13.522 ( -10.861 0.000 -10.932) 15.410 13.628 ( -7.171 0.000 15.243) 16.845 13.748 ( -9.927 0.000 2.500) 10.238 14.173 ( 4.871 0.000 -0.384) 4.886 14.768 ( -3.061 0.000 -8.591) 9.120 15.191 ( 5.469 0.000 3.087) 6.280 15.266 ( 3.496 0.000 0.555) 3.540 15.814 ( -9.095 0.000 3.981) 9.928 15.917 ( -8.295 0.000 1.740) 8.476 16.022 ( 3.648 0.000 -7.941) 8.739 16.296 ( 0.685 0.000 2.656) 2.743 16.414 ( 3.377 0.000 -12.928) 13.362 16.853 ( 0.048 0.000 -11.453) 11.453 16.857 ( 3.220 0.000 3.691) 4.898 17.442 ( 0.224 0.000 4.387) 4.393 17.518 ( -9.569 0.000 -6.412) 11.519 17.683 ( -1.206 0.000 -0.537) 1.320 17.911 ( 2.635 0.000 0.469) 2.676 18.042 ( -5.445 0.000 1.785) 5.730 18.064 ( 2.630 0.000 -0.924) 2.787 18.167 ( 0.024 0.000 -0.425) 0.426 18.255 ( -0.963 0.000 4.953) 5.046 18.399 ( -2.813 0.000 -0.288) 2.827 19.355 ( 13.787 0.000 -1.352) 13.853 19.511 ( 3.687 0.000 1.054) 3.835 19.686 ( 4.629 0.000 2.802) 5.411 20.282 ( 3.956 0.000 -14.899) 15.415 20.493 ( 4.635 0.000 -0.538) 4.666 20.945 ( -11.597 0.000 11.676) 16.457 21.260 ( -3.280 0.000 0.486) 3.316 21.423 ( -13.922 0.000 -11.191) 17.863 22.128 ( 11.259 0.000 3.809) 11.886 22.665 ( -1.193 0.000 4.388) 4.547 23.045 ( 2.993 0.000 13.034) 13.373 23.881 ( -7.702 0.000 13.006) 15.115 25.141 ( 10.626 0.000 -19.154) 21.904 25.556 ( 1.280 0.000 1.862) 2.260 25.579 ( -0.373 0.000 -20.183) 20.186 25.777 ( -2.440 0.000 11.068) 11.333 26.129 ( 5.577 0.000 -7.725) 9.528 26.309 ( 4.637 0.000 4.736) 6.628 26.500 ( 0.287 0.000 5.718) 5.725 26.842 ( 2.102 0.000 12.188) 12.368 26.871 ( -5.552 0.000 -4.384) 7.075 27.379 ( -0.070 0.000 4.397) 4.398 27.442 ( 3.826 0.000 6.797) 7.800 27.496 ( -0.322 0.000 5.021) 5.031 27.675 ( -3.219 0.000 -2.687) 4.193 27.797 ( -6.986 0.000 7.178) 10.017 27.925 ( 2.198 0.000 -1.046) 2.434 28.136 ( -2.083 0.000 -5.593) 5.968 28.159 ( -3.522 0.000 4.808) 5.960 28.230 ( -4.086 0.000 9.130) 10.003 28.622 ( 5.613 0.000 -1.175) 5.735 28.694 ( -0.064 0.000 3.184) 3.185 28.753 ( 1.399 0.000 -1.794) 2.275 28.860 ( -1.272 0.000 -1.515) 1.978 28.912 ( 1.170 0.000 0.751) 1.390 28.915 ( 1.479 0.000 1.046) 1.812 29.090 ( 10.578 0.000 -1.470) 10.680 29.267 ( 8.427 0.000 1.254) 8.520 29.491 ( -2.635 0.000 0.223) 2.645 29.768 ( -2.892 0.000 0.293) 2.907 29.822 ( -2.200 0.000 0.900) 2.377 29.935 ( 0.774 0.000 -13.195) 13.218 30.156 ( 0.335 0.000 -1.226) 1.271 30.172 ( 0.092 0.000 -0.703) 0.709 30.193 ( -3.463 0.000 -6.007) 6.933 30.432 ( -4.074 0.000 -6.515) 7.684 30.848 ( 9.395 0.000 13.485) 16.435 31.214 ( 1.648 0.000 5.498) 5.740 31.846 ( -5.706 0.000 0.852) 5.769 32.190 ( -11.917 0.000 -0.264) 11.919 32.351 ( 4.326 0.000 -4.436) 6.196 32.429 ( -14.837 0.000 7.248) 16.512 32.783 ( 6.259 0.000 -1.068) 6.349 32.839 ( -10.615 0.000 3.259) 11.104 32.951 ( -1.729 0.000 -4.633) 4.945 32.988 ( 2.341 0.000 8.152) 8.481 33.147 ( 3.215 0.000 6.760) 7.486 33.158 ( 5.445 0.000 -3.697) 6.581 33.474 ( -4.778 0.000 6.514) 8.079 33.958 ( -5.724 0.000 -3.429) 6.672 34.632 ( 4.943 0.000 -3.339) 5.965 35.204 ( 9.917 0.000 -24.921) 26.822 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 34.081 0.000 18.884) 38.963 2.168 ( 38.711 0.000 17.744) 42.584 3.046 ( 27.769 0.000 28.733) 39.959 3.195 ( -30.928 0.000 1.680) 30.974 3.536 ( -6.482 0.000 7.191) 9.682 3.591 ( 21.820 0.000 8.224) 23.318 3.741 ( -8.276 0.000 3.307) 8.913 3.908 ( 1.696 0.000 -3.877) 4.232 4.146 ( 10.277 0.000 -0.370) 10.284 4.259 ( -6.207 0.000 4.498) 7.665 4.425 ( 9.938 0.000 -13.322) 16.620 4.514 ( 12.307 0.000 -0.388) 12.313 4.519 ( 20.741 0.000 5.323) 21.413 4.596 ( -4.423 0.000 -9.046) 10.069 4.858 ( 3.730 0.000 -4.898) 6.157 4.862 ( -1.520 0.000 -3.303) 3.636 5.045 ( -11.461 0.000 -9.864) 15.121 5.106 ( -4.974 0.000 -1.925) 5.333 5.135 ( -12.082 0.000 5.109) 13.118 5.270 ( -11.008 0.000 1.927) 11.175 5.295 ( -9.783 0.000 -7.666) 12.429 5.476 ( 4.104 0.000 0.787) 4.179 5.516 ( -16.256 0.000 -2.036) 16.383 5.762 ( -0.733 0.000 15.796) 15.813 5.847 ( -0.903 0.000 15.821) 15.847 5.911 ( -0.772 0.000 0.676) 1.026 5.947 ( -4.376 0.000 -2.371) 4.977 6.300 ( 1.849 0.000 5.990) 6.269 6.340 ( 8.679 0.000 -15.055) 17.377 6.402 ( -13.252 0.000 6.566) 14.789 6.602 ( -14.404 0.000 11.819) 18.632 6.939 ( -4.301 0.000 2.987) 5.237 7.131 ( -6.601 0.000 4.306) 7.881 7.464 ( 6.107 0.000 -12.839) 14.217 7.478 ( 8.002 0.000 -9.616) 12.510 7.814 ( -5.779 0.000 -9.522) 11.138 7.843 ( 12.402 0.000 -8.571) 15.075 8.117 ( -4.197 0.000 -3.647) 5.560 8.164 ( -2.327 0.000 2.573) 3.470 8.327 ( 7.383 0.000 13.729) 15.588 8.449 ( -10.699 0.000 7.687) 13.174 8.539 ( -3.000 0.000 -6.153) 6.845 8.659 ( 5.301 0.000 6.539) 8.418 8.740 ( -13.202 0.000 2.145) 13.376 8.791 ( 11.008 0.000 -7.479) 13.308 8.901 ( -9.019 0.000 2.322) 9.313 9.095 ( -6.155 0.000 -0.628) 6.187 9.242 ( -2.310 0.000 3.829) 4.472 9.655 ( 8.040 0.000 12.700) 15.031 10.075 ( -3.615 0.000 1.523) 3.922 10.099 ( 5.830 0.000 1.456) 6.009 10.288 ( 2.794 0.000 4.951) 5.685 10.702 ( 10.554 0.000 8.279) 13.414 10.815 ( 4.554 0.000 9.142) 10.214 10.841 ( 15.894 0.000 -7.194) 17.446 10.999 ( 12.477 0.000 -23.793) 26.866 11.125 ( 1.782 0.000 -11.347) 11.486 11.336 ( -8.956 0.000 -8.143) 12.104 11.429 ( -11.157 0.000 -4.919) 12.193 11.693 ( -7.172 0.000 -23.844) 24.899 12.055 ( 16.986 0.000 9.861) 19.641 12.262 ( 6.390 0.000 -1.805) 6.640 12.411 ( 7.042 0.000 1.324) 7.165 12.496 ( 6.350 0.000 -4.273) 7.654 12.555 ( -2.768 0.000 3.164) 4.204 12.633 ( -4.150 0.000 18.814) 19.266 12.716 ( -10.316 0.000 -3.938) 11.042 12.798 ( 6.879 0.000 8.967) 11.302 12.979 ( 4.664 0.000 -3.693) 5.949 13.117 ( -9.286 0.000 -5.983) 11.047 13.187 ( -12.216 0.000 -3.682) 12.759 13.355 ( 3.916 0.000 -3.839) 5.484 13.417 ( -12.507 0.000 10.663) 16.436 13.594 ( -5.878 0.000 3.069) 6.631 14.304 ( 7.742 0.000 -4.834) 9.127 14.658 ( -7.279 0.000 -7.471) 10.431 15.288 ( 5.067 0.000 5.136) 7.215 15.369 ( 6.304 0.000 2.548) 6.800 15.609 ( -9.976 0.000 5.685) 11.482 15.718 ( -10.019 0.000 3.713) 10.685 16.102 ( 4.073 0.000 -7.916) 8.903 16.278 ( -2.740 0.000 -1.335) 3.048 16.517 ( 6.398 0.000 -10.583) 12.367 16.802 ( -5.043 0.000 -11.097) 12.189 16.953 ( 5.966 0.000 4.487) 7.465 17.298 ( -10.635 0.000 -0.939) 10.676 17.480 ( 3.378 0.000 3.225) 4.671 17.640 ( -2.977 0.000 -0.523) 3.022 17.943 ( 0.835 0.000 0.523) 0.985 17.980 ( -1.437 0.000 0.978) 1.738 18.121 ( 2.492 0.000 -1.525) 2.921 18.168 ( -0.065 0.000 -0.915) 0.917 18.260 ( 0.967 0.000 3.148) 3.293 18.338 ( -2.771 0.000 1.153) 3.001 19.556 ( 5.935 0.000 0.883) 6.001 19.590 ( 3.377 0.000 0.677) 3.444 19.836 ( 9.892 0.000 2.963) 10.326 20.312 ( -4.807 0.000 -8.483) 9.751 20.611 ( 7.766 0.000 -1.336) 7.880 20.761 ( -1.910 0.000 5.310) 5.643 21.111 ( -10.234 0.000 -2.409) 10.514 21.118 ( -14.925 0.000 -5.749) 15.994 22.353 ( 9.960 0.000 1.296) 10.043 22.626 ( -3.040 0.000 2.776) 4.117 23.171 ( 9.234 0.000 14.474) 17.169 23.671 ( -12.042 0.000 12.555) 17.397 25.370 ( 9.874 0.000 -21.639) 23.786 25.566 ( -1.065 0.000 -24.639) 24.662 25.589 ( 2.053 0.000 4.018) 4.512 25.712 ( -3.521 0.000 9.125) 9.780 26.289 ( 9.395 0.000 -6.740) 11.563 26.424 ( 4.912 0.000 11.191) 12.222 26.497 ( -0.453 0.000 14.409) 14.416 26.714 ( -9.372 0.000 -4.946) 10.597 26.946 ( 8.790 0.000 3.863) 9.601 27.360 ( -2.808 0.000 3.318) 4.347 27.478 ( -1.365 0.000 5.053) 5.234 27.548 ( 5.975 0.000 9.450) 11.180 27.558 ( -7.208 0.000 -0.003) 7.208 27.726 ( -1.681 0.000 9.714) 9.858 27.990 ( 3.694 0.000 -1.582) 4.018 28.081 ( -3.166 0.000 2.327) 3.929 28.096 ( -1.605 0.000 -3.282) 3.654 28.137 ( -4.283 0.000 4.833) 6.457 28.734 ( 5.234 0.000 4.101) 6.649 28.768 ( 5.437 0.000 2.475) 5.974 28.769 ( 0.407 0.000 -1.264) 1.328 28.824 ( -2.023 0.000 -1.117) 2.311 28.954 ( 2.507 0.000 0.568) 2.570 28.959 ( 2.304 0.000 0.849) 2.455 29.297 ( 6.042 0.000 -4.285) 7.407 29.388 ( -0.860 0.000 1.757) 1.956 29.492 ( 7.869 0.000 0.220) 7.872 29.710 ( -2.174 0.000 0.365) 2.204 29.755 ( -3.675 0.000 1.646) 4.027 29.923 ( -5.031 0.000 -3.215) 5.970 30.110 ( 0.048 0.000 -16.454) 16.454 30.162 ( 0.317 0.000 -2.135) 2.159 30.173 ( -0.020 0.000 -1.564) 1.564 30.336 ( -5.274 0.000 -17.644) 18.416 31.121 ( 16.408 0.000 10.193) 19.316 31.277 ( 5.009 0.000 8.967) 10.271 31.632 ( -11.545 0.000 10.406) 15.543 31.877 ( -17.324 0.000 3.064) 17.593 32.323 ( 0.365 0.000 -4.289) 4.304 32.490 ( 8.207 0.000 -8.111) 11.539 32.599 ( -11.738 0.000 -1.957) 11.900 32.818 ( -5.023 0.000 -9.494) 10.741 32.980 ( 6.923 0.000 3.899) 7.945 33.081 ( 5.193 0.000 9.699) 11.002 33.190 ( 0.729 0.000 9.720) 9.747 33.324 ( 5.658 0.000 0.193) 5.661 33.342 ( -3.397 0.000 3.920) 5.188 33.791 ( -9.968 0.000 -3.094) 10.437 34.779 ( 9.000 0.000 -5.730) 10.669 35.191 ( -7.345 0.000 -15.167) 16.852 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -36.963 0.000 11.510) 38.714 2.457 ( 36.963 0.000 11.510) 38.714 2.916 ( -30.850 0.000 9.044) 32.148 2.916 ( 30.850 0.000 9.044) 32.148 3.568 ( -8.504 0.000 6.833) 10.909 3.568 ( 8.504 0.000 6.833) 10.909 4.033 ( -8.749 0.000 2.536) 9.109 4.033 ( 8.749 0.000 2.536) 9.109 4.131 ( -25.347 0.000 1.383) 25.385 4.131 ( 25.347 0.000 1.383) 25.385 4.560 ( -2.454 0.000 -6.777) 7.208 4.560 ( 2.454 0.000 -6.777) 7.208 4.744 ( -22.626 0.000 7.852) 23.950 4.744 ( 22.626 0.000 7.852) 23.950 4.831 ( -5.879 0.000 -16.289) 17.318 4.831 ( 5.879 0.000 -16.289) 17.318 5.058 ( -10.789 0.000 -0.031) 10.789 5.058 ( 10.789 0.000 -0.031) 10.790 5.120 ( -14.467 0.000 -7.077) 16.105 5.120 ( 14.467 0.000 -7.077) 16.105 5.146 ( -10.197 0.000 1.708) 10.339 5.146 ( 10.197 0.000 1.708) 10.339 5.647 ( -11.565 0.000 6.848) 13.440 5.647 ( 11.565 0.000 6.848) 13.440 5.905 ( -0.606 0.000 -2.183) 2.266 5.905 ( 0.606 0.000 -2.183) 2.266 5.968 ( -19.079 0.000 19.569) 27.331 5.968 ( 19.079 0.000 19.569) 27.331 6.385 ( -6.895 0.000 8.300) 10.790 6.385 ( 6.895 0.000 8.300) 10.790 6.625 ( -14.934 0.000 -13.059) 19.839 6.625 ( 14.934 0.000 -13.059) 19.839 7.436 ( -21.550 0.000 8.747) 23.258 7.436 ( 21.550 0.000 8.747) 23.258 7.560 ( -1.254 0.000 -11.895) 11.961 7.560 ( 1.254 0.000 -11.895) 11.961 8.011 ( -5.385 0.000 -4.769) 7.194 8.011 ( 5.385 0.000 -4.769) 7.194 8.274 ( -7.993 0.000 3.896) 8.892 8.274 ( 7.993 0.000 3.896) 8.892 8.478 ( -5.434 0.000 5.089) 7.445 8.478 ( 5.434 0.000 5.089) 7.445 8.611 ( -7.469 0.000 4.337) 8.637 8.611 ( 7.469 0.000 4.337) 8.637 8.939 ( -8.557 0.000 -0.384) 8.566 8.939 ( 8.557 0.000 -0.384) 8.566 9.050 ( -12.517 0.000 2.793) 12.824 9.050 ( 12.517 0.000 2.793) 12.824 9.907 ( -12.009 0.000 0.093) 12.009 9.907 ( 12.009 0.000 0.093) 12.009 10.220 ( -5.799 0.000 3.004) 6.530 10.220 ( 5.799 0.000 3.004) 6.530 10.940 ( -11.757 0.000 3.746) 12.339 10.940 ( 11.757 0.000 3.746) 12.339 10.998 ( -7.244 0.000 -2.256) 7.587 10.998 ( 7.244 0.000 -2.256) 7.587 11.196 ( -10.486 0.000 -4.693) 11.489 11.196 ( 10.486 0.000 -4.693) 11.489 11.458 ( -13.833 0.000 -30.216) 33.232 11.458 ( 13.833 0.000 -30.216) 33.232 12.386 ( -6.482 0.000 -3.719) 7.473 12.386 ( 6.482 0.000 -3.719) 7.473 12.397 ( -14.692 0.000 10.009) 17.777 12.397 ( 14.692 0.000 10.009) 17.777 12.568 ( -6.523 0.000 5.132) 8.299 12.568 ( 6.523 0.000 5.132) 8.299 12.799 ( -15.960 0.000 -4.233) 16.512 12.799 ( 15.960 0.000 -4.233) 16.512 12.982 ( -9.896 0.000 3.915) 10.642 12.982 ( 9.896 0.000 3.915) 10.642 13.153 ( -11.652 0.000 3.329) 12.119 13.153 ( 11.652 0.000 3.329) 12.119 13.475 ( -5.993 0.000 -0.276) 5.999 13.475 ( 5.993 0.000 -0.276) 5.999 14.483 ( -9.067 0.000 -6.659) 11.249 14.483 ( 9.067 0.000 -6.659) 11.249 15.421 ( -7.859 0.000 5.780) 9.756 15.421 ( 7.859 0.000 5.780) 9.756 15.523 ( -8.548 0.000 4.069) 9.467 15.523 ( 8.548 0.000 4.069) 9.467 16.194 ( -4.714 0.000 -5.197) 7.017 16.194 ( 4.714 0.000 -5.197) 7.017 16.665 ( -7.474 0.000 -9.859) 12.372 16.665 ( 7.474 0.000 -9.859) 12.372 17.101 ( -8.292 0.000 3.131) 8.863 17.101 ( 8.292 0.000 3.131) 8.863 17.563 ( -4.183 0.000 0.689) 4.239 17.563 ( 4.183 0.000 0.689) 4.239 17.959 ( -0.812 0.000 0.576) 0.996 17.959 ( 0.812 0.000 0.576) 0.996 18.158 ( -1.030 0.000 -1.404) 1.741 18.158 ( 1.030 0.000 -1.404) 1.741 18.290 ( -1.864 0.000 2.199) 2.882 18.290 ( 1.864 0.000 2.199) 2.882 19.621 ( -0.752 0.000 0.617) 0.973 19.621 ( 0.752 0.000 0.617) 0.973 20.086 ( -13.493 0.000 1.310) 13.557 20.086 ( 13.493 0.000 1.310) 13.557 20.826 ( -12.710 0.000 -2.956) 13.050 20.826 ( 12.710 0.000 -2.956) 13.050 20.883 ( -10.481 0.000 -3.095) 10.929 20.883 ( 10.481 0.000 -3.095) 10.929 22.527 ( -6.638 0.000 1.592) 6.826 22.527 ( 6.638 0.000 1.592) 6.826 23.407 ( -12.788 0.000 13.767) 18.790 23.407 ( 12.788 0.000 13.767) 18.790 25.517 ( -4.297 0.000 -25.154) 25.518 25.517 ( 4.297 0.000 -25.154) 25.518 25.642 ( -3.046 0.000 6.614) 7.281 25.642 ( 3.046 0.000 6.614) 7.281 26.483 ( -1.219 0.000 16.439) 16.484 26.483 ( 1.219 0.000 16.439) 16.484 26.501 ( -10.711 0.000 -5.746) 12.155 26.501 ( 10.711 0.000 -5.746) 12.155 27.189 ( -12.709 0.000 -0.694) 12.728 27.189 ( 12.709 0.000 -0.694) 12.728 27.468 ( -1.283 0.000 5.519) 5.666 27.468 ( 1.283 0.000 5.519) 5.666 27.665 ( -4.706 0.000 11.889) 12.786 27.665 ( 4.706 0.000 11.889) 12.786 28.057 ( -2.529 0.000 -2.103) 3.289 28.057 ( 2.529 0.000 -2.103) 3.289 28.066 ( -1.921 0.000 0.691) 2.041 28.066 ( 1.921 0.000 0.691) 2.041 28.786 ( -1.411 0.000 -1.062) 1.766 28.786 ( 1.411 0.000 -1.062) 1.766 28.822 ( -1.400 0.000 4.899) 5.095 28.822 ( 1.400 0.000 4.899) 5.095 28.986 ( -0.137 0.000 0.563) 0.579 28.986 ( 0.137 0.000 0.563) 0.579 29.340 ( -1.786 0.000 -1.037) 2.065 29.340 ( 1.786 0.000 -1.037) 2.065 29.698 ( -1.282 0.000 1.290) 1.818 29.698 ( 1.282 0.000 1.290) 1.818 29.728 ( -11.988 0.000 -1.758) 12.116 29.728 ( 11.988 0.000 -1.758) 12.116 30.169 ( -0.323 0.000 -2.219) 2.243 30.169 ( 0.323 0.000 -2.219) 2.243 30.208 ( -6.811 0.000 -19.710) 20.853 30.208 ( 6.811 0.000 -19.710) 20.853 31.422 ( -8.696 0.000 10.899) 13.943 31.422 ( 8.696 0.000 10.899) 13.943 31.495 ( -18.926 0.000 6.295) 19.945 31.495 ( 18.926 0.000 6.295) 19.945 32.396 ( -6.942 0.000 -4.685) 8.375 32.396 ( 6.942 0.000 -4.685) 8.375 32.668 ( -8.474 0.000 -9.770) 12.933 32.668 ( 8.474 0.000 -9.770) 12.933 33.155 ( -9.099 0.000 5.907) 10.848 33.155 ( 9.099 0.000 5.907) 10.848 33.169 ( -2.815 0.000 10.250) 10.630 33.169 ( 2.815 0.000 10.250) 10.630 33.562 ( -11.681 0.000 -2.649) 11.978 33.562 ( 11.681 0.000 -2.649) 11.978 34.990 ( -10.810 0.000 -9.381) 14.312 34.990 ( 10.810 0.000 -9.381) 14.312 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 26.455 39.407) 47.464 1.605 ( 0.000 38.142 38.369) 54.102 2.214 ( 0.000 55.079 45.730) 71.589 3.149 ( 0.000 0.640 18.121) 18.132 3.481 ( 0.000 18.737 1.243) 18.778 3.626 ( 0.000 -4.979 -4.049) 6.417 3.677 ( 0.000 -6.466 -4.675) 7.979 3.758 ( 0.000 2.869 5.869) 6.532 3.994 ( 0.000 -4.792 1.552) 5.037 4.187 ( 0.000 -4.838 3.980) 6.264 4.251 ( 0.000 -1.388 -2.930) 3.242 4.437 ( 0.000 -7.032 -5.289) 8.799 4.482 ( 0.000 -11.111 -1.897) 11.272 4.782 ( 0.000 7.300 -6.561) 9.815 4.857 ( 0.000 1.011 -1.006) 1.426 4.998 ( 0.000 8.385 6.550) 10.640 5.160 ( 0.000 -7.791 2.010) 8.046 5.309 ( 0.000 -2.461 3.141) 3.991 5.310 ( 0.000 1.870 5.910) 6.199 5.406 ( 0.000 -4.387 -7.093) 8.340 5.500 ( 0.000 -1.516 -1.305) 2.001 5.733 ( 0.000 -15.323 0.211) 15.324 5.780 ( 0.000 12.845 -14.417) 19.309 5.820 ( 0.000 -0.248 9.172) 9.175 5.932 ( 0.000 -7.233 0.119) 7.234 6.075 ( 0.000 15.965 2.047) 16.096 6.152 ( 0.000 6.432 -4.777) 8.012 6.250 ( 0.000 -0.180 -6.602) 6.605 6.312 ( 0.000 14.635 6.029) 15.828 6.713 ( 0.000 14.979 -4.437) 15.623 6.777 ( 0.000 -6.781 15.673) 17.077 7.069 ( 0.000 -1.906 0.525) 1.977 7.209 ( 0.000 -8.178 -17.527) 19.341 7.238 ( 0.000 -2.293 0.999) 2.501 7.294 ( 0.000 -1.908 -15.391) 15.509 7.357 ( 0.000 -16.977 3.029) 17.245 7.726 ( 0.000 -13.466 -11.214) 17.524 7.983 ( 0.000 -9.220 5.495) 10.733 8.110 ( 0.000 -14.299 12.471) 18.973 8.302 ( 0.000 -1.101 -23.706) 23.732 8.460 ( 0.000 8.622 4.482) 9.717 8.588 ( 0.000 2.586 0.679) 2.674 8.635 ( 0.000 4.142 -18.224) 18.689 8.847 ( 0.000 -13.496 1.408) 13.570 8.908 ( 0.000 14.256 -16.250) 21.617 9.252 ( 0.000 -2.526 0.482) 2.572 9.378 ( 0.000 0.661 -5.714) 5.753 9.423 ( 0.000 -6.764 5.461) 8.693 9.473 ( 0.000 -19.237 -1.932) 19.334 9.852 ( 0.000 11.670 23.560) 26.292 9.925 ( 0.000 3.712 3.214) 4.910 10.083 ( 0.000 9.534 25.220) 26.962 10.162 ( 0.000 -2.454 10.841) 11.115 10.590 ( 0.000 7.172 -16.087) 17.614 10.792 ( 0.000 -10.083 -7.287) 12.441 10.916 ( 0.000 20.279 7.407) 21.589 11.108 ( 0.000 -8.669 10.742) 13.803 11.523 ( 0.000 4.089 8.254) 9.211 11.533 ( 0.000 -11.767 -3.948) 12.412 11.681 ( 0.000 -5.738 -11.085) 12.482 11.866 ( 0.000 -6.690 -1.774) 6.921 11.970 ( 0.000 -1.743 -4.073) 4.430 12.282 ( 0.000 2.716 -2.425) 3.641 12.488 ( 0.000 9.016 4.976) 10.298 12.489 ( 0.000 -7.070 14.082) 15.757 12.562 ( 0.000 -18.469 16.192) 24.562 12.735 ( 0.000 9.087 -13.775) 16.502 12.931 ( 0.000 4.134 -9.438) 10.304 13.092 ( 0.000 3.795 -4.516) 5.899 13.393 ( 0.000 13.635 -6.334) 15.034 13.447 ( 0.000 16.958 2.621) 17.160 13.666 ( 0.000 6.314 -10.365) 12.136 13.933 ( 0.000 5.915 23.964) 24.683 13.934 ( 0.000 2.223 -12.084) 12.287 13.995 ( 0.000 4.509 6.882) 8.228 14.750 ( 0.000 -2.554 -6.719) 7.188 15.029 ( 0.000 -3.219 6.915) 7.627 15.288 ( 0.000 2.366 -1.361) 2.729 15.822 ( 0.000 -11.780 6.364) 13.390 15.863 ( 0.000 -7.148 -8.966) 11.467 16.086 ( 0.000 6.278 -0.334) 6.286 16.222 ( 0.000 -2.629 0.978) 2.805 16.422 ( 0.000 3.182 -13.420) 13.792 16.529 ( 0.000 -11.982 -0.999) 12.024 17.126 ( 0.000 11.399 -6.705) 13.224 17.521 ( 0.000 -8.460 -8.869) 12.257 17.562 ( 0.000 8.802 1.696) 8.964 17.688 ( 0.000 -16.362 2.605) 16.568 17.750 ( 0.000 -8.929 2.751) 9.343 17.937 ( 0.000 -5.854 -3.741) 6.947 18.032 ( 0.000 -10.876 1.623) 10.997 18.126 ( 0.000 6.967 -3.997) 8.032 18.286 ( 0.000 -9.639 0.464) 9.651 18.343 ( 0.000 4.287 -1.905) 4.691 19.187 ( 0.000 6.328 2.938) 6.976 19.250 ( 0.000 -13.996 1.123) 14.041 19.578 ( 0.000 -1.455 4.186) 4.431 20.387 ( 0.000 4.880 -14.605) 15.399 20.658 ( 0.000 20.082 1.964) 20.178 21.226 ( 0.000 7.207 11.762) 13.794 21.406 ( 0.000 10.389 0.745) 10.416 21.548 ( 0.000 -3.818 -11.530) 12.146 21.863 ( 0.000 -8.168 11.146) 13.819 22.512 ( 0.000 -10.127 -1.170) 10.194 23.412 ( 0.000 26.595 13.552) 29.849 24.047 ( 0.000 5.534 9.432) 10.936 25.062 ( 0.000 -0.559 -14.890) 14.900 25.465 ( 0.000 -2.481 -2.781) 3.726 25.642 ( 0.000 2.643 -10.460) 10.789 25.706 ( 0.000 -5.142 6.124) 7.996 26.029 ( 0.000 -3.204 -8.637) 9.212 26.572 ( 0.000 6.780 4.414) 8.090 26.589 ( 0.000 19.061 -11.207) 22.112 26.891 ( 0.000 -3.064 -7.059) 7.695 26.902 ( 0.000 6.544 13.564) 15.060 27.367 ( 0.000 -2.831 5.047) 5.787 27.405 ( 0.000 2.395 4.602) 5.188 27.529 ( 0.000 2.867 5.143) 5.888 27.682 ( 0.000 -3.651 0.153) 3.654 27.884 ( 0.000 -1.648 0.465) 1.712 27.935 ( 0.000 -2.930 -2.953) 4.160 28.101 ( 0.000 -4.966 0.338) 4.977 28.154 ( 0.000 -9.803 14.859) 17.801 28.284 ( 0.000 3.684 -0.890) 3.790 28.511 ( 0.000 -10.292 22.218) 24.486 28.534 ( 0.000 -2.701 -2.844) 3.922 28.693 ( 0.000 -3.833 2.469) 4.560 28.696 ( 0.000 -3.911 -2.008) 4.396 28.807 ( 0.000 -8.145 2.352) 8.478 28.926 ( 0.000 0.103 1.229) 1.234 28.945 ( 0.000 3.868 -0.083) 3.869 29.155 ( 0.000 0.153 -2.645) 2.649 29.464 ( 0.000 -5.407 1.061) 5.510 29.591 ( 0.000 -5.390 6.103) 8.142 29.762 ( 0.000 -9.853 -10.579) 14.457 29.836 ( 0.000 -3.693 3.417) 5.031 29.877 ( 0.000 -0.953 -3.105) 3.248 30.213 ( 0.000 -6.985 4.201) 8.151 30.246 ( 0.000 -6.262 0.492) 6.281 30.311 ( 0.000 -5.513 1.210) 5.645 30.976 ( 0.000 14.091 12.222) 18.653 31.424 ( 0.000 12.080 -12.418) 17.325 31.706 ( 0.000 -10.320 -3.738) 10.976 32.036 ( 0.000 -12.042 0.259) 12.045 32.429 ( 0.000 4.581 3.539) 5.789 32.681 ( 0.000 -1.311 -2.185) 2.548 32.910 ( 0.000 -3.724 5.810) 6.901 32.927 ( 0.000 -1.270 -6.039) 6.171 32.966 ( 0.000 6.222 -1.821) 6.483 33.064 ( 0.000 -5.822 -1.459) 6.002 33.209 ( 0.000 10.552 3.594) 11.148 33.287 ( 0.000 12.324 -4.706) 13.192 33.309 ( 0.000 -2.658 9.564) 9.926 34.208 ( 0.000 11.836 -7.745) 14.145 34.528 ( 0.000 -2.059 1.557) 2.581 35.304 ( 0.000 13.437 -24.113) 27.604 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 15.610 28.751 30.035) 44.411 1.819 ( 20.337 31.975 30.347) 48.548 2.652 ( 36.400 39.231 38.967) 66.200 3.276 ( 8.875 9.684 9.987) 16.501 3.525 ( 6.424 -3.578 3.104) 7.982 3.632 ( 1.025 -3.785 0.173) 3.925 3.813 ( -2.466 -4.944 -0.019) 5.525 3.870 ( 16.382 5.845 -3.331) 17.709 3.946 ( -10.119 -2.323 0.568) 10.398 4.078 ( -6.353 -0.192 0.664) 6.391 4.220 ( 7.359 -2.997 6.922) 10.538 4.455 ( 0.657 -7.148 -3.108) 7.822 4.548 ( -9.309 -0.165 -6.962) 11.625 4.582 ( 3.936 -8.031 -1.999) 9.165 4.845 ( -9.723 2.335 4.848) 11.113 4.873 ( -2.037 2.527 2.533) 4.117 5.163 ( -5.597 2.442 -3.328) 6.955 5.270 ( -2.635 2.178 -2.422) 4.190 5.330 ( -1.127 -2.641 1.770) 3.373 5.366 ( -2.116 -0.736 3.314) 4.000 5.481 ( -2.818 -1.491 -2.613) 4.122 5.596 ( -3.020 -6.089 -3.625) 7.703 5.674 ( -4.923 0.596 8.087) 9.486 5.764 ( -6.114 7.191 -11.287) 14.713 5.952 ( -1.033 -1.940 -0.474) 2.248 6.053 ( -14.227 1.114 -4.066) 14.839 6.147 ( 2.612 15.283 3.370) 15.866 6.323 ( 2.699 2.432 -1.675) 4.001 6.385 ( 2.942 12.856 5.504) 14.291 6.587 ( -1.250 3.295 3.447) 4.930 6.678 ( -5.318 -6.041 4.972) 9.460 6.962 ( -16.088 -0.736 9.092) 18.494 7.172 ( 0.472 -10.179 -8.276) 13.127 7.292 ( 4.214 -1.748 -9.683) 10.704 7.430 ( 5.379 -5.610 -4.072) 8.774 7.490 ( 13.356 -12.754 -6.463) 19.566 7.732 ( 1.622 -7.388 -8.358) 11.273 7.908 ( -4.648 -7.557 -1.154) 8.947 8.187 ( 6.373 -9.142 2.395) 11.398 8.334 ( -6.066 8.396 -0.741) 10.385 8.398 ( 3.083 -3.420 -15.403) 16.076 8.477 ( -0.726 -8.382 8.622) 12.047 8.730 ( -6.962 1.533 -6.110) 9.389 8.864 ( -6.399 -1.919 -8.158) 10.545 8.910 ( 2.909 -6.178 -0.144) 6.830 8.966 ( -12.572 -6.787 -3.874) 14.803 9.230 ( -2.249 8.979 -2.464) 9.579 9.424 ( -1.808 11.295 2.819) 11.781 9.702 ( 8.626 -8.937 7.719) 14.624 9.760 ( -2.542 -0.036 13.545) 13.782 10.063 ( 2.674 0.942 12.069) 12.398 10.157 ( 7.741 5.920 12.987) 16.237 10.308 ( 14.624 -0.159 2.591) 14.853 10.670 ( 8.176 4.321 -19.998) 22.032 10.860 ( 3.037 -10.038 -9.662) 14.259 10.922 ( -6.745 -5.845 11.950) 14.915 11.038 ( 6.553 20.637 3.510) 21.935 11.384 ( -13.005 -8.555 -3.251) 15.903 11.546 ( 7.218 -5.795 5.054) 10.547 11.798 ( 7.201 2.013 -7.830) 10.827 11.882 ( -0.008 -1.813 -10.519) 10.674 12.105 ( 7.023 -1.911 0.748) 7.317 12.275 ( 2.576 -1.191 -1.336) 3.137 12.455 ( -0.954 6.276 11.054) 12.747 12.466 ( -0.835 -11.176 10.002) 15.021 12.644 ( -3.014 -0.524 -1.617) 3.460 12.692 ( 5.696 2.952 5.208) 8.264 12.908 ( -1.958 2.829 -9.956) 10.533 13.064 ( -3.537 5.337 -3.369) 7.235 13.367 ( -3.858 13.141 -5.409) 14.725 13.460 ( 2.916 13.784 -1.339) 14.152 13.570 ( -11.554 5.684 -8.088) 15.206 13.759 ( -6.026 3.660 4.892) 8.581 13.809 ( -10.774 13.387 12.695) 21.365 14.136 ( 6.360 -0.300 -1.481) 6.537 14.717 ( -3.799 -4.209 -6.569) 8.678 15.096 ( 4.202 -6.135 4.989) 8.954 15.321 ( 4.052 3.397 0.929) 5.368 15.689 ( -9.340 -10.186 4.761) 14.617 15.897 ( 0.187 -8.225 -5.511) 9.902 16.021 ( -4.939 5.765 -0.472) 7.606 16.211 ( -1.472 -5.455 -0.173) 5.652 16.476 ( 4.483 3.754 -12.604) 13.894 16.583 ( 4.525 -9.957 -1.104) 10.992 17.122 ( -0.720 9.426 -6.779) 11.633 17.418 ( -7.482 -6.013 -5.342) 10.985 17.557 ( -1.446 5.454 3.213) 6.493 17.705 ( 0.989 -6.295 1.203) 6.485 17.748 ( 0.792 -11.098 2.458) 11.394 17.942 ( 0.556 -3.648 -2.707) 4.576 18.020 ( -0.035 -8.968 -1.277) 9.059 18.168 ( 2.039 3.705 -1.741) 4.573 18.257 ( -2.371 -5.404 0.717) 5.945 18.308 ( -1.959 1.149 0.596) 2.348 19.278 ( 4.165 -11.324 0.401) 12.073 19.330 ( 6.918 -6.795 -0.655) 9.719 19.654 ( 7.764 1.214 4.887) 9.254 20.392 ( 1.890 6.018 -10.853) 12.553 20.755 ( 6.337 19.496 -1.793) 20.579 21.075 ( -12.000 7.787 10.670) 17.845 21.371 ( -4.248 7.626 -1.457) 8.850 21.429 ( -9.369 2.027 -4.445) 10.566 21.988 ( 9.091 -10.401 6.976) 15.475 22.476 ( -2.584 -10.761 -1.204) 11.132 23.421 ( 1.565 25.710 13.806) 29.224 23.992 ( -5.064 8.568 9.335) 13.645 25.151 ( 7.077 -4.293 -13.418) 15.765 25.480 ( 0.962 -3.087 -5.086) 6.027 25.643 ( -0.232 1.011 -4.156) 4.283 25.717 ( 1.442 0.312 -2.267) 2.705 26.088 ( 5.404 -3.460 -8.260) 10.460 26.554 ( -1.372 17.613 -2.242) 17.808 26.574 ( 0.219 6.721 7.924) 10.393 26.822 ( -5.761 -3.887 -5.717) 8.999 26.913 ( 1.364 5.998 11.257) 12.828 27.405 ( 2.305 -0.659 5.349) 5.862 27.406 ( 1.171 0.041 5.478) 5.602 27.529 ( -0.118 2.889 4.993) 5.770 27.645 ( -2.728 -4.296 -0.658) 5.131 27.762 ( -5.882 -2.930 7.898) 10.274 27.930 ( 3.094 0.547 0.026) 3.142 28.104 ( -1.091 -0.395 2.526) 2.780 28.192 ( -2.004 -1.939 6.044) 6.656 28.231 ( -4.423 3.319 -0.220) 5.534 28.533 ( 6.860 -9.848 0.310) 12.005 28.623 ( -1.109 -6.570 3.411) 7.485 28.656 ( 6.395 -9.975 4.159) 12.557 28.753 ( 4.053 -1.753 -0.870) 4.501 28.895 ( -0.685 1.810 0.406) 1.978 28.925 ( -1.063 1.480 0.719) 1.959 29.063 ( 11.262 -4.003 -1.891) 12.101 29.232 ( 6.473 -2.326 -0.672) 6.911 29.437 ( -2.478 -4.658 0.078) 5.276 29.698 ( 8.129 -10.427 -0.903) 13.251 29.757 ( -0.841 -8.717 -7.696) 11.659 29.802 ( -2.869 -3.390 2.999) 5.359 29.849 ( -3.086 -4.470 -2.893) 6.154 30.186 ( -3.658 -8.635 -0.988) 9.429 30.239 ( 1.932 1.131 0.505) 2.295 30.327 ( 0.691 -6.306 0.871) 6.403 31.046 ( 6.968 13.606 11.167) 18.931 31.367 ( -3.613 10.429 -7.322) 13.246 31.681 ( -3.826 -8.804 -0.697) 9.625 32.071 ( 1.862 -10.675 -1.966) 11.013 32.325 ( -8.432 6.412 2.221) 10.823 32.699 ( -13.956 -2.556 9.432) 17.037 32.727 ( 0.488 5.174 -5.925) 7.882 32.819 ( -5.733 -1.600 -4.013) 7.179 32.959 ( 0.535 3.087 1.513) 3.479 32.975 ( 1.138 -4.816 2.922) 5.747 33.109 ( -4.965 7.013 -3.527) 9.288 33.414 ( 4.736 4.950 0.518) 6.871 33.457 ( 5.771 7.720 6.219) 11.470 34.166 ( -4.336 15.458 -5.088) 16.842 34.566 ( 4.242 -4.916 -0.687) 6.530 35.291 ( -3.224 3.120 -19.203) 19.720 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 24.413 20.933 19.433) 37.574 2.379 ( 30.074 17.008 19.513) 39.679 3.250 ( -13.689 12.471 7.196) 19.867 3.387 ( 0.913 8.664 9.206) 12.674 3.442 ( -0.841 5.123 8.518) 9.976 3.672 ( 14.903 3.232 5.053) 16.065 3.699 ( -6.430 -2.535 2.723) 7.429 3.854 ( 5.817 -3.489 -2.323) 7.169 4.065 ( 6.935 -3.681 0.703) 7.883 4.311 ( 0.242 5.509 7.313) 9.159 4.392 ( 18.921 -4.273 -2.219) 19.524 4.480 ( -1.027 -3.073 -0.578) 3.291 4.533 ( 14.199 -4.140 -1.052) 14.828 4.611 ( 3.168 0.732 -3.673) 4.906 4.797 ( 0.421 -6.272 -1.062) 6.375 4.846 ( 4.705 1.903 1.758) 5.371 5.026 ( -4.797 0.115 -4.226) 6.394 5.181 ( -8.604 4.448 1.121) 9.750 5.222 ( -11.166 7.109 -4.394) 13.947 5.249 ( -6.637 3.033 -0.005) 7.297 5.345 ( -9.406 1.945 -6.053) 11.353 5.511 ( -8.996 3.703 2.126) 9.958 5.591 ( 1.377 4.425 -1.895) 5.007 5.675 ( -4.402 -4.492 3.416) 7.157 5.762 ( -5.815 -1.066 7.881) 9.852 5.998 ( 4.744 -7.010 -6.127) 10.449 6.186 ( 1.341 19.171 2.150) 19.337 6.310 ( -4.993 9.899 2.076) 11.280 6.334 ( -1.516 -0.159 5.104) 5.327 6.487 ( -11.324 6.896 4.094) 13.876 6.640 ( -13.285 1.324 5.602) 14.479 6.709 ( -4.286 -14.996 1.503) 15.669 7.050 ( 1.749 -6.382 3.409) 7.443 7.405 ( 3.225 -8.096 -1.569) 8.855 7.495 ( 4.182 -0.332 -8.465) 9.447 7.692 ( 1.859 -7.751 -6.911) 10.550 7.821 ( 3.018 -12.400 -4.642) 13.580 7.964 ( 7.886 4.582 -4.296) 10.082 8.177 ( -13.128 -1.921 3.757) 13.789 8.291 ( 6.142 -9.415 2.132) 11.441 8.312 ( -2.184 -5.584 0.948) 6.071 8.508 ( 0.998 -10.476 -1.872) 10.688 8.592 ( -6.309 -7.455 -0.557) 9.782 8.640 ( -9.683 -5.357 2.811) 11.417 8.816 ( 1.113 5.867 -7.082) 9.264 8.971 ( -0.337 -2.697 -2.562) 3.735 9.308 ( 0.576 15.899 -0.431) 15.915 9.361 ( -0.140 13.375 1.986) 13.522 9.663 ( -1.511 3.900 16.646) 17.164 9.836 ( 0.836 -14.104 -2.284) 14.312 10.147 ( 5.137 0.899 4.118) 6.645 10.263 ( 1.962 -0.770 9.639) 9.867 10.598 ( 8.489 -0.662 4.763) 9.756 10.813 ( 5.559 -0.289 0.155) 5.568 10.880 ( 5.548 -3.278 -14.804) 16.146 10.977 ( 1.627 -9.057 -5.161) 10.550 11.130 ( 2.656 -0.792 -6.211) 6.801 11.318 ( 10.414 13.433 -3.975) 17.455 11.607 ( -4.790 -4.222 -16.440) 17.636 11.780 ( -7.163 12.193 -8.450) 16.474 11.999 ( 12.723 -4.131 5.341) 14.403 12.236 ( 4.988 -3.016 0.437) 5.845 12.383 ( 5.456 -0.978 -1.478) 5.736 12.450 ( -0.514 -8.727 8.668) 12.310 12.520 ( -2.536 -2.444 -2.566) 4.358 12.547 ( 3.680 0.716 4.321) 5.721 12.747 ( -7.614 1.101 0.014) 7.693 12.864 ( 3.540 2.169 7.876) 8.903 13.052 ( 4.306 6.422 -3.571) 8.517 13.262 ( -7.832 12.209 -4.426) 15.165 13.271 ( -12.270 7.899 -7.440) 16.380 13.521 ( -11.223 12.939 12.355) 21.119 13.547 ( 0.873 12.316 -0.343) 12.352 13.686 ( -3.318 8.755 0.548) 9.378 14.259 ( 6.268 -3.144 -4.486) 8.325 14.593 ( -7.820 -5.604 -6.359) 11.532 15.178 ( 4.472 -7.494 4.665) 9.896 15.449 ( 7.024 4.607 3.584) 9.132 15.484 ( -9.256 -8.888 5.161) 13.832 15.801 ( -8.307 3.340 2.760) 9.369 15.993 ( 2.164 -6.489 -5.725) 8.920 16.156 ( -3.724 -8.241 -2.216) 9.311 16.582 ( 5.319 2.668 -11.090) 12.585 16.676 ( 3.220 -5.962 -4.165) 7.953 17.093 ( -1.247 6.386 -3.600) 7.437 17.255 ( -7.629 -1.995 -0.411) 7.897 17.550 ( 1.347 2.225 4.190) 4.932 17.672 ( -2.907 -1.637 1.453) 3.639 17.816 ( 3.932 -7.380 -0.003) 8.362 17.930 ( -1.618 -4.982 -3.134) 6.104 18.055 ( 2.882 -4.592 -1.008) 5.514 18.170 ( -1.890 -0.689 1.506) 2.513 18.229 ( 0.212 -1.718 -0.746) 1.885 18.274 ( -1.456 -1.609 0.681) 2.274 19.359 ( 3.526 -14.540 -0.648) 14.976 19.419 ( 1.575 -11.589 -1.662) 11.814 19.891 ( 14.185 5.277 4.999) 15.939 20.434 ( -1.985 7.301 -8.148) 11.119 20.780 ( -4.008 9.960 7.642) 13.178 20.944 ( 4.448 15.167 -1.389) 15.867 21.186 ( -13.511 5.777 -1.507) 14.771 21.246 ( -7.126 11.109 -2.271) 13.392 22.175 ( 8.393 -12.914 4.100) 15.938 22.418 ( -3.338 -13.058 -0.629) 13.493 23.500 ( 6.186 23.238 13.235) 27.449 23.850 ( -8.334 14.212 9.936) 19.239 25.291 ( 5.745 -10.246 -10.091) 15.486 25.467 ( -2.600 -8.992 -6.903) 11.631 25.672 ( 3.231 6.729 -4.145) 8.538 25.745 ( 0.706 5.985 -10.212) 11.858 26.237 ( 8.623 -4.245 -7.183) 11.999 26.550 ( -0.516 8.364 5.222) 9.874 26.584 ( 0.525 8.288 16.487) 18.461 26.674 ( -7.426 -1.329 -3.775) 8.436 27.003 ( 8.326 4.935 3.372) 10.249 27.388 ( -2.546 2.399 3.992) 5.308 27.483 ( 1.490 -1.180 6.543) 6.813 27.530 ( 0.546 0.327 5.058) 5.098 27.576 ( -2.946 0.257 2.751) 4.039 27.694 ( -1.298 -2.702 8.799) 9.296 28.002 ( 2.613 0.102 0.214) 2.624 28.064 ( -2.279 0.215 4.022) 4.628 28.127 ( -2.850 0.314 2.264) 3.653 28.159 ( -1.901 4.709 -2.632) 5.720 28.641 ( 4.539 -7.879 4.164) 10.001 28.685 ( 4.423 -4.998 -0.176) 6.677 28.790 ( 5.553 -7.697 -1.595) 9.624 28.830 ( 3.114 -2.819 2.070) 4.683 28.867 ( -1.476 2.021 0.968) 2.683 28.912 ( -0.132 -3.368 0.776) 3.459 29.237 ( 4.624 -4.706 -3.195) 7.331 29.318 ( -0.727 -5.567 1.578) 5.832 29.417 ( 3.393 -4.649 -0.959) 5.835 29.699 ( -5.670 -6.160 1.460) 8.498 29.737 ( -2.608 -11.843 -5.034) 13.130 29.751 ( -2.460 -3.541 -0.930) 4.411 29.874 ( 6.504 -6.646 -7.857) 12.174 30.109 ( -4.043 -2.587 -5.373) 7.205 30.291 ( 2.556 3.080 -3.027) 5.018 30.339 ( 0.552 -4.302 -3.100) 5.331 31.259 ( 11.944 11.410 6.759) 17.848 31.341 ( 3.050 6.320 2.416) 7.422 31.543 ( -8.109 -3.654 4.833) 10.122 31.961 ( -13.787 4.612 1.223) 14.589 32.239 ( 2.087 -3.858 -2.942) 5.282 32.516 ( -6.643 -3.807 0.843) 7.703 32.642 ( -2.806 5.620 -8.466) 10.542 32.815 ( -0.685 -4.836 -3.275) 5.881 32.958 ( -0.654 -2.353 2.159) 3.260 32.998 ( 1.475 -4.585 2.990) 5.669 33.075 ( 3.113 2.724 3.709) 5.556 33.360 ( -6.458 0.481 4.817) 8.071 33.641 ( 9.688 18.359 2.010) 20.855 34.030 ( -8.339 17.890 -1.961) 19.835 34.707 ( 9.072 -6.187 -4.386) 11.825 35.150 ( -9.721 -3.703 -12.413) 16.196 ======================= Grid point 59 (24/64) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -27.192 8.438 14.259) 31.843 2.541 ( 27.192 8.438 14.259) 31.843 3.083 ( -22.137 10.675 6.415) 25.400 3.083 ( 22.137 10.675 6.415) 25.400 3.565 ( -6.451 1.592 3.816) 7.662 3.565 ( 6.451 1.592 3.816) 7.662 3.921 ( -10.062 -4.185 0.400) 10.905 3.921 ( 10.062 -4.185 0.400) 10.905 4.229 ( -20.963 2.728 0.148) 21.140 4.229 ( 20.963 2.728 0.148) 21.140 4.567 ( -1.540 -0.089 -4.320) 4.588 4.567 ( 1.540 -0.089 -4.320) 4.588 4.693 ( -13.738 -1.575 6.369) 15.224 4.693 ( 13.738 -1.575 6.369) 15.224 4.929 ( -8.261 -3.541 0.300) 8.993 4.929 ( 8.261 -3.541 0.300) 8.993 5.017 ( -3.019 4.620 -3.828) 6.716 5.017 ( 3.019 4.620 -3.828) 6.716 5.119 ( -14.796 2.687 -3.324) 15.401 5.119 ( 14.796 2.687 -3.324) 15.401 5.234 ( -6.217 7.545 -5.387) 11.163 5.234 ( 6.217 7.545 -5.387) 11.163 5.636 ( -0.950 -2.150 10.233) 10.499 5.636 ( 0.950 -2.150 10.233) 10.499 5.929 ( -20.308 6.603 -2.651) 21.518 5.929 ( 20.308 6.603 -2.651) 21.518 6.195 ( -1.874 4.732 8.095) 9.562 6.195 ( 1.874 4.732 8.095) 9.562 6.271 ( -1.708 2.849 4.971) 5.978 6.271 ( 1.708 2.849 4.971) 5.978 6.581 ( -5.271 -4.526 -3.136) 7.623 6.581 ( 5.271 -4.526 -3.136) 7.623 7.292 ( -14.044 -11.496 8.562) 20.067 7.292 ( 14.044 -11.496 8.562) 20.067 7.591 ( -4.960 1.771 -9.102) 10.515 7.591 ( 4.960 1.771 -9.102) 10.515 7.914 ( -5.768 -5.962 1.896) 8.509 7.914 ( 5.768 -5.962 1.896) 8.509 8.222 ( -6.656 -2.867 -3.557) 8.073 8.222 ( 6.656 -2.867 -3.557) 8.073 8.442 ( -6.532 -9.407 -1.490) 11.549 8.442 ( 6.532 -9.407 -1.490) 11.549 8.527 ( -4.959 -7.416 2.556) 9.280 8.527 ( 4.959 -7.416 2.556) 9.280 8.903 ( -5.130 0.393 -3.011) 5.961 8.903 ( 5.130 0.393 -3.011) 5.961 9.318 ( -3.292 20.243 5.123) 21.139 9.318 ( 3.292 20.243 5.123) 21.139 9.757 ( -7.083 -10.249 0.903) 12.491 9.757 ( 7.083 -10.249 0.903) 12.491 10.241 ( -3.338 1.947 3.944) 5.522 10.241 ( 3.338 1.947 3.944) 5.522 10.754 ( -9.192 -6.608 7.243) 13.439 10.754 ( 9.192 -6.608 7.243) 13.439 10.971 ( -4.389 -3.078 -7.151) 8.937 10.971 ( 4.389 -3.078 -7.151) 8.937 11.371 ( -12.916 -0.977 -19.237) 23.191 11.371 ( 12.916 -0.977 -19.237) 23.191 11.586 ( -10.200 15.937 -7.967) 20.531 11.586 ( 10.200 15.937 -7.967) 20.531 12.263 ( -7.025 -8.084 7.584) 13.123 12.263 ( 7.025 -8.084 7.584) 13.123 12.409 ( -3.060 0.073 -4.219) 5.213 12.409 ( 3.060 0.073 -4.219) 5.213 12.496 ( -3.867 -6.384 1.139) 7.551 12.496 ( 3.867 -6.384 1.139) 7.551 12.829 ( -9.631 -0.800 3.262) 10.200 12.829 ( 9.631 -0.800 3.262) 10.200 13.132 ( -4.872 14.498 0.441) 15.301 13.132 ( 4.872 14.498 0.441) 15.301 13.240 ( -11.383 8.829 3.369) 14.794 13.240 ( 11.383 8.829 3.369) 14.794 13.620 ( -3.227 12.271 -0.596) 12.702 13.620 ( 3.227 12.271 -0.596) 12.702 14.415 ( -8.662 -5.783 -6.047) 12.043 14.415 ( 8.662 -5.783 -6.047) 12.043 15.301 ( -7.433 -8.369 5.155) 12.323 15.301 ( 7.433 -8.369 5.155) 12.323 15.620 ( -8.645 5.704 4.233) 11.189 15.620 ( 8.645 5.704 4.233) 11.189 16.067 ( -4.463 -8.940 -4.326) 10.889 16.067 ( 4.463 -8.940 -4.326) 10.889 16.677 ( -3.073 -0.893 -9.355) 9.887 16.677 ( 3.073 -0.893 -9.355) 9.887 17.123 ( -4.481 2.575 1.544) 5.394 17.123 ( 4.481 2.575 1.544) 5.394 17.604 ( -3.367 -0.311 2.558) 4.240 17.604 ( 3.367 -0.311 2.558) 4.240 17.885 ( -2.709 -4.925 -2.246) 6.053 17.885 ( 2.709 -4.925 -2.246) 6.053 18.117 ( -2.926 -2.807 0.764) 4.127 18.117 ( 2.926 -2.807 0.764) 4.127 18.246 ( -1.166 -1.933 -0.193) 2.266 18.246 ( 1.166 -1.933 -0.193) 2.266 19.414 ( -1.665 -14.113 -1.435) 14.283 19.414 ( 1.665 -14.113 -1.435) 14.283 20.209 ( -15.616 7.838 2.254) 17.617 20.209 ( 15.616 7.838 2.254) 17.617 20.893 ( -11.839 5.198 0.124) 12.931 20.893 ( 11.839 5.198 0.124) 12.931 21.094 ( -7.144 16.255 -2.537) 17.936 21.094 ( 7.144 16.255 -2.537) 17.936 22.324 ( -5.867 -14.071 1.471) 15.316 22.324 ( 5.867 -14.071 1.471) 15.316 23.664 ( -9.075 19.393 11.579) 24.342 23.664 ( 9.075 19.393 11.579) 24.342 25.392 ( -4.263 -11.510 -7.505) 14.387 25.392 ( 4.263 -11.510 -7.505) 14.387 25.734 ( -1.963 8.010 -9.888) 12.876 25.734 ( 1.963 8.010 -9.888) 12.876 26.430 ( -9.440 -4.487 -4.298) 11.302 26.430 ( 9.440 -4.487 -4.298) 11.302 26.599 ( -1.323 8.849 13.227) 15.969 26.599 ( 1.323 8.849 13.227) 15.969 27.233 ( -11.785 3.725 -0.279) 12.363 27.233 ( 11.785 3.725 -0.279) 12.363 27.486 ( -1.069 1.109 5.937) 6.134 27.486 ( 1.069 1.109 5.937) 6.134 27.645 ( -4.192 -1.489 10.282) 11.203 27.645 ( 4.192 -1.489 10.282) 11.203 28.025 ( -1.605 -2.284 1.656) 3.246 28.025 ( 1.605 -2.284 1.656) 3.246 28.126 ( -1.713 5.064 -1.960) 5.693 28.126 ( 1.713 5.064 -1.960) 5.693 28.721 ( -1.396 -5.218 1.951) 5.743 28.721 ( 1.396 -5.218 1.951) 5.743 28.849 ( -0.515 1.433 1.853) 2.399 28.849 ( 0.515 1.433 1.853) 2.399 28.891 ( -2.378 -8.688 0.123) 9.008 28.891 ( 2.378 -8.688 0.123) 9.008 29.272 ( -1.627 -5.829 -0.489) 6.071 29.272 ( 1.627 -5.829 -0.489) 6.071 29.556 ( -7.767 -8.073 -0.633) 11.221 29.556 ( 7.767 -8.073 -0.633) 11.221 29.716 ( -0.716 -5.989 -3.009) 6.740 29.716 ( 0.716 -5.989 -3.009) 6.740 30.006 ( -5.926 -3.259 -7.011) 9.741 30.006 ( 5.926 -3.259 -7.011) 9.741 30.334 ( -1.357 1.278 -5.412) 5.724 30.334 ( 1.357 1.278 -5.412) 5.724 31.390 ( -5.783 0.861 5.157) 7.796 31.390 ( 5.783 0.861 5.157) 7.796 31.621 ( -17.337 9.372 5.175) 20.376 31.621 ( 17.337 9.372 5.175) 20.376 32.344 ( -7.616 -4.129 -4.300) 9.672 32.344 ( 7.616 -4.129 -4.300) 9.672 32.712 ( -6.515 0.747 -7.157) 9.707 32.712 ( 6.515 0.747 -7.157) 9.707 32.991 ( -1.870 -7.746 5.430) 9.643 32.991 ( 1.870 -7.746 5.430) 9.643 33.204 ( -7.825 2.634 4.714) 9.507 33.204 ( 7.825 2.634 4.714) 9.507 33.841 ( -9.576 18.715 0.100) 21.023 33.841 ( 9.576 18.715 0.100) 21.023 34.924 ( -11.354 -5.661 -7.940) 14.966 34.924 ( 11.354 -5.661 -7.940) 14.966 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 29.789 25.603) 39.280 2.362 ( 0.000 35.571 37.147) 51.431 2.904 ( 0.000 -5.986 19.494) 20.393 3.347 ( 0.000 7.828 6.892) 10.430 3.482 ( 0.000 -7.671 -3.666) 8.502 3.579 ( 0.000 2.080 -4.630) 5.076 3.669 ( 0.000 -6.130 -0.391) 6.143 3.882 ( 0.000 -23.847 16.163) 28.809 4.082 ( 0.000 36.933 3.879) 37.137 4.152 ( 0.000 1.988 12.837) 12.990 4.158 ( 0.000 6.870 15.295) 16.767 4.338 ( 0.000 15.490 6.468) 16.786 4.510 ( 0.000 2.954 -7.476) 8.038 4.724 ( 0.000 -6.532 -1.638) 6.734 4.869 ( 0.000 -0.018 -6.169) 6.169 5.157 ( 0.000 -2.486 -0.330) 2.507 5.165 ( 0.000 4.463 0.679) 4.514 5.198 ( 0.000 2.900 -7.103) 7.672 5.332 ( 0.000 -7.642 5.657) 9.508 5.340 ( 0.000 -1.494 -0.114) 1.498 5.507 ( 0.000 8.372 5.532) 10.035 5.555 ( 0.000 5.130 -3.736) 6.346 5.725 ( 0.000 -8.851 -1.515) 8.980 5.868 ( 0.000 5.184 2.814) 5.898 6.005 ( 0.000 3.367 -12.934) 13.365 6.142 ( 0.000 -12.759 3.635) 13.267 6.213 ( 0.000 -6.484 -12.071) 13.702 6.426 ( 0.000 6.842 -8.133) 10.628 6.528 ( 0.000 2.911 1.424) 3.241 6.728 ( 0.000 1.082 1.235) 1.642 6.834 ( 0.000 -12.808 0.286) 12.811 6.989 ( 0.000 -0.602 0.824) 1.021 7.037 ( 0.000 3.254 -1.545) 3.602 7.041 ( 0.000 2.554 -9.809) 10.136 7.243 ( 0.000 -2.446 -8.462) 8.809 7.355 ( 0.000 3.732 1.077) 3.884 7.513 ( 0.000 -4.513 -4.051) 6.064 7.817 ( 0.000 -3.966 12.089) 12.722 7.830 ( 0.000 -7.230 10.221) 12.519 8.211 ( 0.000 -11.284 -9.922) 15.026 8.369 ( 0.000 -7.503 4.142) 8.570 8.415 ( 0.000 -19.288 -5.028) 19.932 8.695 ( 0.000 -1.763 -17.211) 17.301 8.724 ( 0.000 -4.491 -16.067) 16.683 8.980 ( 0.000 -9.945 -9.954) 14.071 9.120 ( 0.000 -3.412 -4.712) 5.817 9.201 ( 0.000 5.877 -1.179) 5.994 9.388 ( 0.000 -2.447 14.144) 14.354 9.610 ( 0.000 20.895 -5.812) 21.688 10.050 ( 0.000 4.742 2.765) 5.489 10.204 ( 0.000 4.526 4.305) 6.246 10.241 ( 0.000 18.851 13.154) 22.986 10.319 ( 0.000 14.303 24.250) 28.153 10.531 ( 0.000 -12.370 2.807) 12.685 10.707 ( 0.000 3.777 -18.302) 18.688 10.799 ( 0.000 -13.509 6.651) 15.057 11.263 ( 0.000 -12.152 -9.347) 15.331 11.330 ( 0.000 -2.978 9.605) 10.056 11.543 ( 0.000 7.790 7.095) 10.537 11.641 ( 0.000 2.392 6.649) 7.066 11.707 ( 0.000 -6.553 7.553) 10.000 11.892 ( 0.000 -5.637 -6.639) 8.710 12.238 ( 0.000 -7.278 6.997) 10.096 12.323 ( 0.000 3.805 -0.901) 3.910 12.463 ( 0.000 -0.130 9.213) 9.214 12.535 ( 0.000 -0.534 1.239) 1.349 12.971 ( 0.000 8.090 -17.161) 18.973 13.095 ( 0.000 10.196 -7.043) 12.392 13.154 ( 0.000 0.942 -7.429) 7.488 13.473 ( 0.000 -5.519 -11.247) 12.528 13.794 ( 0.000 12.731 8.291) 15.193 13.862 ( 0.000 7.207 1.239) 7.313 13.930 ( 0.000 6.151 3.962) 7.316 14.114 ( 0.000 10.758 -14.038) 17.686 14.333 ( 0.000 16.017 10.834) 19.337 14.670 ( 0.000 -4.266 1.778) 4.621 14.980 ( 0.000 -0.098 3.193) 3.195 15.254 ( 0.000 -6.242 0.184) 6.245 15.538 ( 0.000 -11.880 4.915) 12.857 15.639 ( 0.000 -12.253 -2.392) 12.484 16.247 ( 0.000 7.100 -5.043) 8.709 16.269 ( 0.000 7.714 -2.445) 8.092 16.356 ( 0.000 -2.561 0.782) 2.677 16.490 ( 0.000 0.900 -12.032) 12.065 17.205 ( 0.000 -5.685 -6.123) 8.356 17.223 ( 0.000 -17.652 1.779) 17.741 17.402 ( 0.000 -5.099 -6.422) 8.200 17.529 ( 0.000 -9.654 -1.250) 9.735 17.657 ( 0.000 -4.785 -2.021) 5.195 17.762 ( 0.000 -9.425 -0.688) 9.450 17.914 ( 0.000 6.214 6.228) 8.798 18.203 ( 0.000 -1.647 0.289) 1.672 18.224 ( 0.000 6.808 1.530) 6.978 18.547 ( 0.000 13.179 -9.598) 16.304 18.914 ( 0.000 -17.077 -0.306) 17.079 19.121 ( 0.000 -10.578 -4.589) 11.531 19.766 ( 0.000 16.042 7.392) 17.663 20.357 ( 0.000 -7.012 -3.108) 7.670 21.182 ( 0.000 26.416 0.433) 26.420 21.307 ( 0.000 0.179 8.037) 8.039 21.518 ( 0.000 -4.208 3.128) 5.243 21.592 ( 0.000 8.174 -2.407) 8.521 21.748 ( 0.000 1.205 7.509) 7.605 22.234 ( 0.000 -16.875 -2.875) 17.118 24.011 ( 0.000 26.346 11.514) 28.752 24.244 ( 0.000 14.984 6.403) 16.295 24.849 ( 0.000 -16.338 -7.099) 17.814 25.240 ( 0.000 -19.577 11.699) 22.807 25.714 ( 0.000 5.410 -4.107) 6.792 25.892 ( 0.000 19.013 -20.594) 28.029 25.941 ( 0.000 -4.801 -8.343) 9.625 26.670 ( 0.000 -9.929 -11.439) 15.147 26.756 ( 0.000 9.788 8.932) 13.251 27.010 ( 0.000 9.352 -7.525) 12.004 27.069 ( 0.000 8.225 11.426) 14.079 27.307 ( 0.000 -1.199 1.148) 1.660 27.467 ( 0.000 2.605 5.139) 5.762 27.494 ( 0.000 -11.899 11.191) 16.335 27.614 ( 0.000 4.266 4.035) 5.872 27.796 ( 0.000 -7.051 12.247) 14.132 27.852 ( 0.000 -3.812 -0.070) 3.813 27.923 ( 0.000 -3.176 7.596) 8.233 28.152 ( 0.000 4.892 2.489) 5.488 28.376 ( 0.000 4.998 -2.354) 5.525 28.442 ( 0.000 -5.734 -2.429) 6.227 28.461 ( 0.000 -2.309 2.561) 3.449 28.541 ( 0.000 -8.485 0.871) 8.529 28.659 ( 0.000 -5.917 -0.169) 5.920 28.709 ( 0.000 7.306 3.742) 8.208 28.932 ( 0.000 -0.010 0.255) 0.255 29.061 ( 0.000 6.960 -1.098) 7.046 29.189 ( 0.000 2.953 -2.483) 3.858 29.351 ( 0.000 -4.172 -0.302) 4.183 29.505 ( 0.000 -11.304 -7.811) 13.741 29.604 ( 0.000 3.571 -0.914) 3.686 29.685 ( 0.000 -9.390 3.527) 10.030 29.743 ( 0.000 -13.840 0.557) 13.852 29.926 ( 0.000 -9.468 1.022) 9.523 30.220 ( 0.000 -1.315 -0.708) 1.493 30.267 ( 0.000 -0.186 -1.372) 1.384 31.291 ( 0.000 14.817 10.324) 18.059 31.553 ( 0.000 -2.102 -2.638) 3.373 31.623 ( 0.000 4.396 -9.965) 10.892 31.806 ( 0.000 -9.074 2.934) 9.537 32.534 ( 0.000 4.197 -0.174) 4.201 32.560 ( 0.000 -5.670 5.869) 8.161 32.825 ( 0.000 -3.626 5.103) 6.259 32.862 ( 0.000 -7.388 1.023) 7.458 32.999 ( 0.000 3.167 -4.242) 5.294 33.110 ( 0.000 3.588 -9.749) 10.389 33.379 ( 0.000 6.857 2.670) 7.358 33.419 ( 0.000 7.371 0.597) 7.395 33.561 ( 0.000 12.950 -1.943) 13.095 34.169 ( 0.000 -11.939 -8.125) 14.441 34.748 ( 0.000 17.828 1.821) 17.921 35.342 ( 0.000 -6.305 -11.153) 12.812 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 14.979 30.060 20.512) 39.354 2.502 ( 11.204 31.322 29.875) 44.711 3.103 ( 15.249 -5.006 14.905) 21.903 3.445 ( 8.889 -3.103 3.343) 9.991 3.477 ( 2.961 -6.430 0.101) 7.080 3.606 ( 3.300 2.615 -2.287) 4.792 3.732 ( 2.387 -10.105 1.449) 10.483 3.906 ( -2.236 -8.901 8.567) 12.555 4.075 ( -2.676 3.663 0.837) 4.613 4.144 ( -3.250 7.937 2.471) 8.926 4.191 ( 3.301 23.165 15.008) 27.798 4.262 ( 3.926 6.511 17.384) 18.974 4.523 ( 4.265 -0.589 3.871) 5.789 4.626 ( -3.597 9.026 -8.863) 13.151 4.856 ( -5.602 0.633 3.112) 6.439 4.984 ( -11.910 4.860 -6.152) 14.259 5.119 ( -3.020 -7.296 -7.589) 10.952 5.281 ( 0.181 -5.590 2.237) 6.023 5.308 ( 0.580 1.232 5.599) 5.763 5.346 ( 3.047 -1.182 0.345) 3.286 5.507 ( 0.193 9.490 3.051) 9.970 5.557 ( -0.588 2.303 0.572) 2.444 5.714 ( -0.626 2.582 -5.163) 5.806 5.810 ( -8.207 -1.258 1.437) 8.427 5.929 ( -7.307 -0.044 -3.965) 8.314 6.046 ( -13.188 -3.653 -13.631) 19.315 6.240 ( 5.381 -14.184 1.876) 15.286 6.454 ( 3.410 9.983 -3.489) 11.111 6.506 ( -2.292 0.351 -0.988) 2.521 6.709 ( 1.151 3.339 -1.974) 4.046 6.849 ( -10.066 12.475 -1.426) 16.093 6.930 ( -5.988 4.361 6.303) 9.727 6.958 ( -2.844 -6.082 1.319) 6.842 7.085 ( 11.017 -13.784 -7.382) 19.128 7.243 ( -1.953 -6.823 -7.738) 10.500 7.426 ( 5.757 5.020 1.595) 7.804 7.569 ( 5.421 -4.075 -2.852) 7.357 7.790 ( 2.047 -4.495 6.577) 8.225 7.964 ( 7.408 -8.768 5.553) 12.751 8.183 ( -6.108 -20.988 -6.166) 22.712 8.266 ( -4.625 -7.355 4.341) 9.713 8.409 ( -2.772 -5.754 -8.303) 10.475 8.654 ( 0.492 2.949 -14.164) 14.476 8.755 ( -9.966 -9.293 -9.215) 16.450 8.775 ( -8.315 -3.532 -7.417) 11.689 9.041 ( -4.212 7.969 3.827) 9.792 9.243 ( 5.954 -9.405 -4.603) 12.046 9.519 ( 2.600 -4.634 6.169) 8.141 9.693 ( 10.466 17.198 -4.022) 20.530 9.972 ( -3.503 11.670 3.637) 12.716 10.222 ( -2.408 8.078 14.657) 16.908 10.277 ( 0.831 12.215 12.632) 17.591 10.455 ( 13.605 8.111 4.332) 16.421 10.607 ( 7.135 -11.643 1.222) 13.710 10.754 ( 3.382 -0.291 -8.763) 9.397 10.779 ( -0.090 -3.285 -3.738) 4.977 11.087 ( -9.782 -11.494 1.437) 15.162 11.398 ( 1.758 -7.067 0.566) 7.304 11.467 ( 0.830 7.712 5.326) 9.410 11.704 ( 5.467 -11.606 6.255) 14.273 11.872 ( 5.385 4.554 -1.122) 7.141 12.039 ( 11.450 -2.421 0.019) 11.703 12.183 ( 0.415 -2.938 0.957) 3.117 12.350 ( 1.269 -0.018 -1.167) 1.724 12.495 ( 3.070 0.803 5.253) 6.137 12.609 ( 3.444 -3.167 2.620) 5.363 12.909 ( -10.205 8.237 -6.028) 14.434 12.990 ( -2.793 4.100 -10.254) 11.391 13.181 ( -0.544 5.994 -5.527) 8.172 13.472 ( 1.054 -2.828 -9.997) 10.443 13.707 ( -5.607 12.007 0.475) 13.260 13.763 ( -6.761 6.261 6.790) 11.446 13.940 ( 0.213 11.508 -1.527) 11.611 14.133 ( -3.965 13.811 1.087) 14.410 14.258 ( -3.532 10.290 0.634) 10.898 14.610 ( -5.609 -4.788 0.756) 7.414 15.002 ( 1.646 -1.364 3.069) 3.740 15.308 ( 5.244 -6.296 1.039) 8.259 15.447 ( -7.295 -9.794 4.687) 13.081 15.630 ( -1.145 -14.345 -1.152) 14.437 16.189 ( -3.961 5.909 -4.576) 8.459 16.209 ( -4.859 9.279 -1.795) 10.627 16.431 ( 5.079 -2.383 -1.047) 5.707 16.537 ( 3.533 -1.557 -11.039) 11.694 17.142 ( -2.341 -7.746 -2.206) 8.387 17.269 ( -0.470 -8.670 -3.640) 9.415 17.384 ( 0.540 -8.384 -0.278) 8.406 17.543 ( 0.604 -9.231 -0.848) 9.290 17.684 ( 1.785 -6.216 -2.043) 6.782 17.792 ( 2.342 -4.558 -0.904) 5.204 17.909 ( 0.159 2.506 4.979) 5.577 18.192 ( -1.212 -3.116 -0.004) 3.344 18.234 ( 1.101 8.475 0.670) 8.573 18.515 ( -2.731 14.338 -8.085) 16.686 18.946 ( 2.861 -17.129 -0.975) 17.393 19.140 ( 1.049 -12.314 -5.238) 13.423 19.855 ( 8.391 15.070 7.307) 18.732 20.408 ( 4.869 -5.153 -2.946) 7.678 21.167 ( -11.889 2.392 8.886) 15.034 21.236 ( 3.937 22.202 -0.906) 22.567 21.447 ( -6.355 -2.662 3.718) 7.829 21.574 ( -1.218 10.953 -1.874) 11.179 21.824 ( 5.586 -2.803 5.464) 8.301 22.207 ( -2.449 -15.500 -3.121) 15.999 24.002 ( -0.123 26.181 11.028) 28.409 24.243 ( -0.400 16.067 6.336) 17.275 24.886 ( 3.152 -17.403 -5.983) 18.671 25.215 ( -2.452 -19.879 9.288) 22.079 25.750 ( 3.366 5.915 -3.936) 7.862 25.920 ( 2.815 13.648 -18.317) 23.015 26.006 ( 5.135 -0.822 -11.340) 12.476 26.629 ( -4.159 -9.421 -11.131) 15.164 26.763 ( 0.792 10.407 10.831) 15.041 26.984 ( -1.702 14.127 -3.266) 14.599 27.068 ( -0.316 7.818 10.620) 13.191 27.334 ( 2.250 -2.543 2.792) 4.396 27.435 ( 0.302 -6.880 5.252) 8.660 27.498 ( -0.194 -1.505 8.801) 8.930 27.599 ( -1.593 1.934 4.189) 4.881 27.682 ( -3.407 -3.010 9.522) 10.552 27.956 ( 4.378 0.880 3.494) 5.670 28.057 ( 7.627 -8.809 5.620) 12.936 28.161 ( 0.379 5.568 2.685) 6.194 28.306 ( -3.028 2.238 -2.216) 4.369 28.399 ( -2.941 0.938 0.054) 3.088 28.466 ( 0.857 -6.595 -0.490) 6.669 28.524 ( 2.217 -5.721 1.287) 6.270 28.672 ( 2.037 -5.897 -0.546) 6.263 28.933 ( 0.543 1.569 0.703) 1.802 28.955 ( 11.288 -1.539 -0.619) 11.410 29.016 ( -2.459 4.556 0.419) 5.194 29.209 ( 0.770 0.002 -1.769) 1.929 29.334 ( -1.346 -3.665 -0.868) 4.000 29.501 ( 0.159 -10.215 -6.472) 12.093 29.580 ( -3.632 -7.855 -0.395) 8.663 29.654 ( -1.718 -4.837 -0.202) 5.137 29.778 ( 3.432 -5.096 1.259) 6.272 29.964 ( 3.984 -9.278 0.685) 10.120 30.207 ( -1.128 -0.811 -0.323) 1.426 30.281 ( 0.992 -1.320 -1.468) 2.210 31.353 ( 5.958 13.998 9.024) 17.688 31.504 ( -2.655 3.154 -2.077) 4.616 31.658 ( 1.403 4.115 -8.591) 9.628 31.841 ( 2.999 -9.664 1.717) 10.263 32.453 ( -7.122 2.056 2.856) 7.944 32.522 ( -4.728 -3.934 5.182) 8.043 32.732 ( -6.787 -3.818 -0.013) 7.788 32.828 ( -3.635 -6.993 4.670) 9.161 32.958 ( -2.382 7.930 -4.561) 9.453 33.076 ( -2.911 5.819 -8.275) 10.527 33.243 ( -6.359 4.122 -3.623) 8.400 33.382 ( -2.708 -1.325 0.931) 3.155 33.766 ( 12.469 13.874 1.804) 18.740 34.269 ( 8.239 -8.356 -6.931) 13.629 34.675 ( -6.417 16.434 2.389) 17.803 35.250 ( -8.276 -6.731 -9.628) 14.370 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 12.401 24.993 15.691) 32.010 2.795 ( 16.079 20.028 20.424) 32.814 3.222 ( -6.518 -8.429 5.072) 11.801 3.427 ( -16.557 -2.384 8.559) 18.790 3.591 ( 4.176 1.057 -6.567) 7.854 3.742 ( 0.577 -2.603 -2.364) 3.564 3.756 ( 8.602 4.412 1.697) 9.816 3.837 ( 11.484 1.614 1.032) 11.643 4.173 ( 3.760 0.761 3.196) 4.993 4.225 ( 9.403 -10.359 0.030) 13.990 4.324 ( 1.804 3.785 3.492) 5.457 4.426 ( 10.274 3.270 16.141) 19.411 4.576 ( 3.407 9.368 -6.254) 11.768 4.634 ( 1.572 -4.211 5.944) 7.452 4.711 ( 2.516 7.411 5.725) 9.697 4.921 ( 3.692 6.321 4.945) 8.834 5.035 ( -4.260 -0.399 -7.174) 8.353 5.195 ( -8.754 1.972 6.411) 11.028 5.323 ( -4.864 0.456 -2.605) 5.537 5.352 ( 3.394 -3.623 0.541) 4.994 5.435 ( -9.632 4.997 -1.491) 10.953 5.549 ( -0.114 -2.029 3.591) 4.126 5.622 ( -5.171 2.048 -1.812) 5.850 5.656 ( -7.485 3.295 -0.686) 8.207 5.818 ( 1.078 -2.266 -6.183) 6.672 5.887 ( 1.962 6.497 -3.039) 7.436 6.229 ( -6.662 -6.787 -2.180) 9.757 6.414 ( -4.500 -4.386 5.747) 8.516 6.524 ( -3.140 1.169 5.237) 6.217 6.627 ( -6.276 8.627 1.405) 10.760 6.702 ( -12.099 11.912 -3.184) 17.275 6.780 ( -5.048 8.451 1.811) 10.009 6.887 ( 4.585 1.940 3.285) 5.965 7.165 ( -3.814 -8.959 8.591) 12.985 7.387 ( 13.629 -10.655 -5.592) 18.181 7.579 ( 8.198 1.119 -3.106) 8.838 7.674 ( 2.457 -2.238 -7.825) 8.501 7.875 ( 1.555 -12.633 6.006) 14.074 8.022 ( -3.219 -20.679 -0.945) 20.950 8.081 ( 3.449 -4.539 -2.459) 6.209 8.197 ( -2.262 -3.858 3.104) 5.444 8.322 ( -6.614 -4.274 -8.739) 11.763 8.429 ( -12.607 -5.616 -4.526) 14.525 8.502 ( -10.198 -6.887 1.266) 12.371 8.827 ( 7.988 3.253 -10.447) 13.547 9.083 ( 1.047 8.249 -3.555) 9.043 9.325 ( 4.350 -7.265 -5.271) 9.974 9.530 ( -1.248 -9.480 -3.537) 10.195 9.828 ( 1.294 17.687 6.825) 19.002 9.949 ( -1.806 17.328 9.128) 19.668 10.166 ( 2.003 3.136 9.573) 10.270 10.312 ( 0.317 3.747 5.443) 6.616 10.667 ( 3.293 4.576 7.018) 9.002 10.727 ( 2.588 -8.691 1.426) 9.180 10.821 ( 8.123 -2.266 -2.625) 8.832 10.912 ( 0.812 2.965 -5.120) 5.972 10.982 ( 10.024 -6.712 -13.418) 18.044 11.445 ( -4.492 -3.132 -3.667) 6.590 11.542 ( 10.326 -3.429 -2.960) 11.276 11.801 ( 3.201 -13.017 4.284) 14.073 11.941 ( 5.457 2.786 2.335) 6.557 12.195 ( 4.824 -0.136 -0.457) 4.848 12.309 ( -4.909 -3.716 -3.718) 7.193 12.354 ( 7.836 0.848 -1.100) 7.959 12.524 ( -4.712 2.811 -9.145) 10.664 12.604 ( -1.012 2.426 7.481) 7.930 12.737 ( -6.727 -1.632 -3.403) 7.714 12.826 ( -5.884 -4.644 2.877) 8.029 13.270 ( 8.614 12.481 -1.991) 15.296 13.480 ( -1.587 9.809 -4.162) 10.773 13.565 ( -6.372 14.080 -0.838) 15.477 13.709 ( -2.165 2.540 2.921) 4.435 13.922 ( -1.852 15.071 2.478) 15.385 13.954 ( -6.424 17.443 1.898) 18.685 14.230 ( -0.778 -0.046 -6.001) 6.051 14.453 ( -8.971 -5.995 -1.200) 10.856 15.049 ( 3.157 -2.332 3.462) 5.234 15.282 ( -7.880 -7.025 4.468) 11.463 15.444 ( 6.843 -8.596 1.732) 11.123 15.604 ( -1.229 -15.791 0.491) 15.847 16.099 ( -4.278 7.826 -4.141) 9.833 16.110 ( -4.045 10.663 -0.485) 11.414 16.529 ( 4.086 -4.732 -5.084) 8.059 16.599 ( 1.702 -5.906 -8.687) 10.641 17.121 ( 0.463 -2.953 -0.885) 3.118 17.226 ( -2.719 -0.892 0.423) 2.892 17.423 ( 2.508 -11.894 1.623) 12.263 17.534 ( -1.575 -8.895 0.234) 9.037 17.720 ( 1.874 -5.753 -0.648) 6.086 17.806 ( -1.280 2.929 1.422) 3.498 17.960 ( 4.577 -6.678 -0.132) 8.097 18.146 ( -3.231 -4.856 -0.526) 5.856 18.278 ( 3.140 11.677 -1.471) 12.181 18.444 ( -4.021 15.097 -5.687) 16.626 19.018 ( 3.742 -16.897 -2.610) 17.502 19.139 ( -1.287 -14.520 -5.293) 15.508 20.095 ( 14.233 13.278 6.756) 20.605 20.538 ( 5.486 0.890 -3.628) 6.637 20.891 ( -11.733 2.130 10.960) 16.197 21.182 ( -11.324 -2.649 1.321) 11.705 21.395 ( 3.652 18.968 0.931) 19.339 21.540 ( -2.198 14.436 -1.350) 14.665 21.942 ( 5.570 -7.404 2.274) 9.540 22.141 ( -3.840 -13.184 -2.756) 14.006 24.033 ( 3.215 24.859 9.986) 26.982 24.210 ( -3.034 18.866 6.867) 20.305 24.963 ( 4.061 -18.649 -3.458) 19.397 25.142 ( -4.240 -19.703 4.497) 20.650 25.841 ( 4.985 7.068 -6.126) 10.598 25.973 ( 0.889 13.334 -19.261) 23.443 26.128 ( 7.000 -5.043 -8.873) 12.376 26.495 ( -8.458 -8.231 -9.841) 15.367 26.799 ( 2.770 12.927 12.627) 18.282 26.931 ( -3.120 16.054 9.028) 18.680 27.130 ( 7.001 5.732 2.884) 9.497 27.390 ( 1.654 -5.297 3.853) 6.755 27.472 ( 0.650 1.462 5.437) 5.668 27.494 ( -0.204 -3.348 7.338) 8.068 27.571 ( 0.881 -1.205 4.580) 4.817 27.639 ( -1.098 -0.873 8.227) 8.346 28.011 ( -0.098 -0.433 5.826) 5.843 28.098 ( -4.154 6.312 0.646) 7.584 28.187 ( 4.009 2.142 1.000) 4.654 28.283 ( -0.313 6.124 -3.317) 6.972 28.403 ( 4.431 -10.149 4.505) 11.956 28.547 ( 5.957 -8.292 -2.901) 10.614 28.589 ( 2.508 -6.757 0.244) 7.212 28.690 ( -1.035 -11.303 1.197) 11.413 28.913 ( -1.548 2.808 0.863) 3.320 28.938 ( -2.638 4.054 0.550) 4.868 29.119 ( 1.713 -6.146 -1.138) 6.481 29.179 ( -3.497 -6.649 0.885) 7.565 29.336 ( 2.668 -2.025 -2.367) 4.102 29.492 ( -1.738 -6.741 -0.837) 7.012 29.531 ( -0.147 -9.684 -5.215) 11.000 29.591 ( -3.743 -6.219 -2.613) 7.715 29.885 ( 6.490 2.076 -0.113) 6.815 30.066 ( 3.239 -3.590 -2.772) 5.574 30.185 ( 0.378 -4.293 1.951) 4.730 30.292 ( -0.332 -3.584 -1.410) 3.866 31.469 ( 1.406 6.622 -1.208) 6.877 31.549 ( 10.340 13.785 6.111) 18.283 31.642 ( -2.723 10.218 -4.211) 11.382 31.905 ( 2.055 -8.389 -0.756) 8.670 32.294 ( -7.409 6.004 0.990) 9.588 32.395 ( -5.624 -5.990 3.247) 8.835 32.567 ( -7.778 -8.640 0.686) 11.645 32.709 ( -6.627 -7.759 1.737) 10.351 32.953 ( 1.539 7.013 -3.463) 7.972 33.047 ( -1.392 4.282 -4.541) 6.395 33.155 ( -0.555 2.171 -3.596) 4.237 33.314 ( -4.165 -4.870 1.224) 6.524 34.013 ( 11.355 15.460 1.940) 19.280 34.408 ( -1.378 11.083 -4.832) 12.169 34.568 ( 2.698 -1.754 1.575) 3.583 35.030 ( -12.215 -7.682 -6.994) 16.035 ======================= Grid point 66 (28/64) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -16.702 13.764 13.903) 25.723 2.798 ( 16.702 13.764 13.903) 25.723 3.185 ( -9.860 -1.364 9.156) 13.525 3.185 ( 9.860 -1.364 9.156) 13.525 3.685 ( -4.586 7.751 -5.846) 10.737 3.685 ( 4.586 7.751 -5.846) 10.737 3.918 ( -13.181 3.960 0.614) 13.776 3.918 ( 13.181 3.960 0.614) 13.776 4.224 ( -13.144 -3.462 0.305) 13.596 4.224 ( 13.144 -3.462 0.305) 13.596 4.462 ( -8.474 -10.261 -1.796) 13.428 4.462 ( 8.474 -10.261 -1.796) 13.428 4.674 ( -1.294 2.444 2.891) 4.001 4.674 ( 1.294 2.444 2.891) 4.001 4.838 ( -8.089 -2.302 3.503) 9.111 4.838 ( 8.089 -2.302 3.503) 9.111 5.135 ( -5.567 3.801 4.391) 8.045 5.135 ( 5.567 3.801 4.391) 8.045 5.263 ( -12.844 8.813 -0.560) 15.587 5.263 ( 12.844 8.813 -0.560) 15.587 5.424 ( -4.202 7.734 -5.014) 10.129 5.424 ( 4.202 7.734 -5.014) 10.129 5.571 ( -2.759 -4.743 7.494) 9.288 5.571 ( 2.759 -4.743 7.494) 9.288 5.971 ( -10.446 -0.305 -5.222) 11.682 5.971 ( 10.446 -0.305 -5.222) 11.682 6.164 ( -17.584 -1.512 3.277) 17.950 6.164 ( 17.584 -1.512 3.277) 17.950 6.460 ( -2.127 2.832 6.261) 7.194 6.460 ( 2.127 2.832 6.261) 7.194 6.684 ( -4.369 15.468 1.734) 16.166 6.684 ( 4.369 15.468 1.734) 16.166 7.048 ( -7.747 -6.179 9.164) 13.497 7.048 ( 7.747 -6.179 9.164) 13.497 7.598 ( -6.570 -4.101 -6.358) 10.020 7.598 ( 6.570 -4.101 -6.358) 10.020 7.766 ( -7.748 -6.417 -0.018) 10.060 7.766 ( 7.748 -6.417 -0.018) 10.060 8.098 ( -4.293 -13.535 -0.831) 14.224 8.098 ( 4.293 -13.535 -0.831) 14.224 8.191 ( -3.133 -4.498 -7.242) 9.083 8.191 ( 3.133 -4.498 -7.242) 9.083 8.349 ( -4.937 -7.946 1.302) 9.446 8.349 ( 4.937 -7.946 1.302) 9.446 8.997 ( -7.588 8.378 -7.342) 13.479 8.997 ( 7.588 8.378 -7.342) 13.479 9.452 ( -6.064 -9.447 -5.919) 12.691 9.452 ( 6.064 -9.447 -5.919) 12.691 9.866 ( -3.625 19.386 10.756) 22.464 9.866 ( 3.625 19.386 10.756) 22.464 10.265 ( -4.646 -0.375 5.333) 7.083 10.265 ( 4.646 -0.375 5.333) 7.083 10.705 ( -2.188 1.156 7.093) 7.512 10.705 ( 2.188 1.156 7.093) 7.512 10.935 ( -1.157 -2.183 -6.190) 6.665 10.935 ( 1.157 -2.183 -6.190) 6.665 11.256 ( -12.511 -3.185 -14.441) 19.370 11.256 ( 12.511 -3.185 -14.441) 19.370 11.767 ( -8.350 -6.669 -0.623) 10.704 11.767 ( 8.350 -6.669 -0.623) 10.704 12.122 ( -8.919 -0.299 4.597) 10.039 12.122 ( 8.919 -0.299 4.597) 10.039 12.322 ( -8.363 -6.924 -5.143) 12.014 12.322 ( 8.363 -6.924 -5.143) 12.014 12.489 ( -1.679 6.126 -2.828) 6.953 12.489 ( 1.679 6.126 -2.828) 6.953 12.768 ( -3.904 -4.333 3.194) 6.650 12.768 ( 3.904 -4.333 3.194) 6.650 13.435 ( -3.223 12.371 0.448) 12.792 13.435 ( 3.223 12.371 0.448) 12.792 13.544 ( -8.098 15.104 1.629) 17.215 13.544 ( 8.098 15.104 1.629) 17.215 13.920 ( -1.380 12.952 -0.691) 13.044 13.920 ( 1.380 12.952 -0.691) 13.044 14.277 ( -6.468 -5.704 -3.698) 9.383 14.277 ( 6.468 -5.704 -3.698) 9.383 15.139 ( -5.676 -4.181 4.036) 8.123 15.139 ( 5.676 -4.181 4.036) 8.123 15.559 ( -3.768 -13.461 1.484) 14.057 15.559 ( 3.768 -13.461 1.484) 14.057 16.055 ( -0.555 10.463 -1.833) 10.637 16.055 ( 0.555 10.463 -1.833) 10.637 16.594 ( -1.987 -7.046 -7.570) 10.531 16.594 ( 1.987 -7.046 -7.570) 10.531 17.162 ( -3.134 0.333 1.685) 3.573 17.162 ( 3.134 0.333 1.685) 3.573 17.483 ( -3.056 -10.079 1.068) 10.586 17.483 ( 3.056 -10.079 1.068) 10.586 17.764 ( -2.304 -1.542 0.766) 2.876 17.764 ( 2.304 -1.542 0.766) 2.876 18.062 ( -4.738 -6.399 -1.171) 8.048 18.062 ( 4.738 -6.399 -1.171) 8.048 18.356 ( -4.208 14.157 -3.517) 15.182 18.356 ( 4.208 14.157 -3.517) 15.182 19.091 ( -3.107 -16.014 -4.291) 16.867 19.091 ( 3.107 -16.014 -4.291) 16.867 20.412 ( -14.973 11.661 3.967) 19.388 20.412 ( 14.973 11.661 3.967) 19.388 20.919 ( -11.697 -4.964 4.487) 13.475 20.919 ( 11.697 -4.964 4.487) 13.475 21.479 ( -3.698 17.876 -0.702) 18.268 21.479 ( 3.698 17.876 -0.702) 18.268 22.051 ( -4.832 -10.731 -0.808) 11.796 22.051 ( 4.832 -10.731 -0.808) 11.796 24.123 ( -4.895 22.169 8.395) 24.205 24.123 ( 4.895 22.169 8.395) 24.205 25.051 ( -4.410 -19.231 0.067) 19.731 25.051 ( 4.410 -19.231 0.067) 19.731 25.937 ( -3.823 9.826 -13.024) 16.757 25.937 ( 3.823 9.826 -13.024) 16.757 26.303 ( -9.456 -7.016 -8.335) 14.427 26.303 ( 9.456 -7.016 -8.335) 14.427 26.866 ( -3.305 14.968 11.744) 19.310 26.866 ( 3.305 14.968 11.744) 19.310 27.308 ( -8.363 0.965 2.270) 8.719 27.308 ( 8.363 0.965 2.270) 8.719 27.483 ( -0.714 -0.485 7.137) 7.189 27.483 ( 0.714 -0.485 7.137) 7.189 27.622 ( -1.676 -1.346 6.060) 6.430 27.622 ( 1.676 -1.346 6.060) 6.430 28.010 ( -2.059 2.849 3.523) 4.977 28.010 ( 2.059 2.849 3.523) 4.977 28.263 ( -2.348 6.703 -2.601) 7.563 28.263 ( 2.348 6.703 -2.601) 7.563 28.543 ( -7.077 -12.534 4.209) 14.997 28.543 ( 7.077 -12.534 4.209) 14.997 28.647 ( -2.926 -10.031 -1.456) 10.550 28.647 ( 2.926 -10.031 -1.456) 10.550 28.903 ( -0.811 3.003 0.663) 3.181 28.903 ( 0.811 3.003 0.663) 3.181 29.122 ( -0.985 -7.221 0.111) 7.289 29.122 ( 0.985 -7.221 0.111) 7.289 29.424 ( -4.689 -3.408 -1.077) 5.896 29.424 ( 4.689 -3.408 -1.077) 5.896 29.540 ( -1.068 -7.925 -4.938) 9.398 29.540 ( 1.068 -7.925 -4.938) 9.398 30.019 ( -5.687 2.791 -1.675) 6.553 30.019 ( 5.687 2.791 -1.675) 6.553 30.253 ( -3.616 -6.977 -0.176) 7.860 30.253 ( 3.616 -6.977 -0.176) 7.860 31.531 ( -4.729 11.287 -1.345) 12.311 31.531 ( 4.729 11.287 -1.345) 12.311 31.818 ( -11.225 6.532 2.491) 13.224 31.818 ( 11.225 6.532 2.491) 13.224 32.258 ( -5.627 -2.521 -2.253) 6.565 32.258 ( 5.627 -2.521 -2.253) 6.565 32.564 ( -6.102 -11.606 3.240) 13.507 32.564 ( 6.102 -11.606 3.240) 13.507 32.998 ( -2.532 5.448 -4.219) 7.341 32.998 ( 2.532 5.448 -4.219) 7.341 33.216 ( -4.790 -2.062 0.173) 5.218 33.216 ( 4.790 -2.062 0.173) 5.218 34.239 ( -10.406 17.070 0.731) 20.005 34.239 ( 10.406 17.070 0.731) 20.005 34.770 ( -12.354 -8.395 -4.424) 15.578 34.770 ( 12.354 -8.395 -4.424) 15.578 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 -21.531 20.358) 29.632 2.581 ( 0.000 21.531 20.358) 29.632 3.137 ( 0.000 -34.934 25.527) 43.267 3.137 ( 0.000 34.934 25.527) 43.267 3.383 ( 0.000 -2.713 -2.686) 3.818 3.383 ( 0.000 2.713 -2.686) 3.818 3.606 ( 0.000 -2.655 -0.983) 2.831 3.606 ( 0.000 2.655 -0.983) 2.831 4.213 ( 0.000 -2.377 16.100) 16.275 4.213 ( 0.000 2.377 16.100) 16.275 4.422 ( 0.000 -7.912 7.945) 11.212 4.422 ( 0.000 7.912 7.945) 11.213 4.797 ( 0.000 -5.222 -5.750) 7.768 4.797 ( 0.000 5.222 -5.750) 7.768 5.089 ( 0.000 -3.874 -9.092) 9.883 5.089 ( 0.000 3.874 -9.092) 9.883 5.267 ( 0.000 -9.645 -4.985) 10.857 5.267 ( 0.000 9.645 -4.985) 10.857 5.295 ( 0.000 -6.042 3.483) 6.974 5.295 ( 0.000 6.042 3.483) 6.974 5.562 ( 0.000 -17.194 7.732) 18.853 5.562 ( 0.000 17.194 7.732) 18.853 5.806 ( 0.000 -7.069 2.006) 7.348 5.806 ( 0.000 7.069 2.006) 7.348 5.995 ( 0.000 -1.009 -4.260) 4.378 5.995 ( 0.000 1.009 -4.260) 4.378 6.046 ( 0.000 -9.735 -8.852) 13.158 6.046 ( 0.000 9.735 -8.852) 13.158 6.719 ( 0.000 -0.660 -0.309) 0.729 6.719 ( 0.000 0.660 -0.309) 0.729 6.829 ( 0.000 -13.105 -2.701) 13.380 6.829 ( 0.000 13.105 -2.701) 13.380 7.106 ( 0.000 -2.056 -12.279) 12.450 7.106 ( 0.000 2.056 -12.279) 12.450 7.395 ( 0.000 -1.385 -0.709) 1.556 7.395 ( 0.000 1.385 -0.709) 1.556 7.655 ( 0.000 -25.742 8.286) 27.043 7.655 ( 0.000 25.742 8.286) 27.043 7.814 ( 0.000 -2.430 9.326) 9.637 7.814 ( 0.000 2.430 9.326) 9.637 8.254 ( 0.000 -0.781 -3.315) 3.406 8.254 ( 0.000 0.781 -3.315) 3.406 8.620 ( 0.000 -0.842 -23.045) 23.060 8.620 ( 0.000 0.842 -23.045) 23.060 9.002 ( 0.000 -5.167 -11.345) 12.466 9.002 ( 0.000 5.167 -11.345) 12.466 9.328 ( 0.000 -4.067 15.872) 16.385 9.328 ( 0.000 4.067 15.872) 16.385 10.026 ( 0.000 -11.721 -10.640) 15.830 10.026 ( 0.000 11.721 -10.640) 15.830 10.294 ( 0.000 -6.179 6.503) 8.970 10.294 ( 0.000 6.179 6.503) 8.970 10.510 ( 0.000 -10.871 10.431) 15.066 10.510 ( 0.000 10.871 10.431) 15.066 10.702 ( 0.000 -9.414 0.618) 9.435 10.702 ( 0.000 9.414 0.618) 9.435 11.127 ( 0.000 -4.364 5.817) 7.272 11.127 ( 0.000 4.364 5.817) 7.272 11.616 ( 0.000 -1.414 11.163) 11.252 11.616 ( 0.000 1.414 11.163) 11.252 11.768 ( 0.000 -6.079 -4.151) 7.361 11.768 ( 0.000 6.079 -4.151) 7.361 12.303 ( 0.000 -7.698 5.409) 9.409 12.303 ( 0.000 7.698 5.409) 9.409 12.488 ( 0.000 -3.659 -0.406) 3.682 12.488 ( 0.000 3.659 -0.406) 3.682 13.115 ( 0.000 -4.665 -11.332) 12.254 13.115 ( 0.000 4.665 -11.332) 12.254 13.294 ( 0.000 -9.044 -11.261) 14.444 13.294 ( 0.000 9.044 -11.261) 14.444 13.926 ( 0.000 -0.177 13.624) 13.625 13.926 ( 0.000 0.177 13.624) 13.625 14.151 ( 0.000 -7.800 -15.213) 17.096 14.151 ( 0.000 7.800 -15.213) 17.096 14.585 ( 0.000 -6.223 8.476) 10.515 14.585 ( 0.000 6.223 8.476) 10.515 15.067 ( 0.000 -8.431 1.177) 8.513 15.067 ( 0.000 8.431 1.177) 8.513 15.436 ( 0.000 -3.811 2.233) 4.417 15.436 ( 0.000 3.811 2.233) 4.417 16.368 ( 0.000 -0.251 -0.624) 0.673 16.368 ( 0.000 0.251 -0.624) 0.673 16.422 ( 0.000 -6.952 -9.285) 11.600 16.422 ( 0.000 6.952 -9.285) 11.600 17.037 ( 0.000 -3.138 -1.006) 3.295 17.037 ( 0.000 3.138 -1.006) 3.295 17.387 ( 0.000 -3.319 -5.697) 6.593 17.387 ( 0.000 3.319 -5.697) 6.593 17.606 ( 0.000 -3.102 0.892) 3.228 17.606 ( 0.000 3.102 0.892) 3.228 18.093 ( 0.000 -7.688 2.889) 8.213 18.093 ( 0.000 7.688 2.889) 8.213 18.526 ( 0.000 -17.903 -0.956) 17.929 18.526 ( 0.000 17.903 -0.956) 17.929 18.847 ( 0.000 -13.798 -7.708) 15.805 18.847 ( 0.000 13.798 -7.708) 15.805 20.116 ( 0.000 -14.743 4.728) 15.482 20.116 ( 0.000 14.743 4.728) 15.482 21.354 ( 0.000 -5.230 6.069) 8.011 21.354 ( 0.000 5.230 6.069) 8.011 21.725 ( 0.000 -5.477 -1.204) 5.607 21.725 ( 0.000 5.477 -1.204) 5.607 21.797 ( 0.000 -15.581 1.989) 15.707 21.797 ( 0.000 15.581 1.989) 15.707 24.463 ( 0.000 -18.410 -0.703) 18.424 24.463 ( 0.000 18.410 -0.703) 18.424 24.733 ( 0.000 -26.050 11.659) 28.540 24.733 ( 0.000 26.050 11.659) 28.540 25.830 ( 0.000 -5.364 -6.909) 8.747 25.830 ( 0.000 5.364 -6.909) 8.747 26.342 ( 0.000 -19.803 -19.358) 27.693 26.342 ( 0.000 19.803 -19.358) 27.693 26.972 ( 0.000 -9.329 8.328) 12.506 26.972 ( 0.000 9.329 8.328) 12.506 27.240 ( 0.000 -7.776 11.316) 13.731 27.240 ( 0.000 7.776 11.316) 13.731 27.444 ( 0.000 -6.004 -0.746) 6.051 27.444 ( 0.000 6.004 -0.746) 6.051 27.678 ( 0.000 -3.348 8.416) 9.058 27.678 ( 0.000 3.348 8.416) 9.058 27.854 ( 0.000 -3.590 6.291) 7.243 27.854 ( 0.000 3.590 6.291) 7.243 28.300 ( 0.000 -7.465 -1.149) 7.553 28.300 ( 0.000 7.465 -1.149) 7.553 28.415 ( 0.000 -2.020 1.166) 2.333 28.415 ( 0.000 2.020 1.166) 2.333 28.524 ( 0.000 -6.454 -3.630) 7.405 28.524 ( 0.000 6.454 -3.630) 7.405 28.883 ( 0.000 -5.811 1.016) 5.899 28.883 ( 0.000 5.811 1.016) 5.899 29.210 ( 0.000 -3.874 -2.347) 4.529 29.210 ( 0.000 3.874 -2.347) 4.529 29.344 ( 0.000 -4.493 -0.902) 4.583 29.344 ( 0.000 4.493 -0.902) 4.583 29.513 ( 0.000 -0.216 2.019) 2.031 29.513 ( 0.000 0.216 2.019) 2.031 29.744 ( 0.000 -7.799 -2.494) 8.188 29.744 ( 0.000 7.799 -2.494) 8.188 30.237 ( 0.000 -1.921 -1.527) 2.454 30.237 ( 0.000 1.921 -1.527) 2.454 31.554 ( 0.000 -8.121 -1.081) 8.193 31.554 ( 0.000 8.121 -1.081) 8.193 31.636 ( 0.000 -8.469 4.740) 9.705 31.636 ( 0.000 8.469 4.740) 9.705 32.547 ( 0.000 -2.988 -2.343) 3.797 32.547 ( 0.000 2.988 -2.343) 3.797 32.766 ( 0.000 -0.643 7.288) 7.316 32.766 ( 0.000 0.643 7.288) 7.316 33.093 ( 0.000 -3.870 -6.857) 7.873 33.093 ( 0.000 3.870 -6.857) 7.873 33.488 ( 0.000 -1.320 -1.057) 1.691 33.488 ( 0.000 1.320 -1.057) 1.691 33.865 ( 0.000 -14.996 -3.927) 15.502 33.865 ( 0.000 14.996 -3.927) 15.502 35.109 ( 0.000 -14.506 -3.517) 14.927 35.109 ( 0.000 14.506 -3.517) 14.927 ======================= Grid point 72 (30/64) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 13.985 -21.207 13.844) 28.931 2.777 ( 13.985 21.207 13.844) 28.931 3.174 ( 2.901 -27.371 19.076) 33.489 3.174 ( 2.901 27.371 19.076) 33.489 3.443 ( 7.586 -4.124 3.480) 9.310 3.443 ( 7.586 4.124 3.480) 9.310 3.665 ( 5.731 -4.033 0.258) 7.013 3.665 ( 5.731 4.033 0.258) 7.013 4.138 ( -8.435 -2.511 3.864) 9.611 4.138 ( -8.435 2.511 3.864) 9.611 4.390 ( 1.275 -5.026 16.620) 17.410 4.390 ( 1.275 5.026 16.620) 17.410 4.788 ( -1.471 -2.631 -7.584) 8.161 4.788 ( -1.471 2.631 -7.584) 8.161 5.032 ( -10.915 -2.160 -3.111) 11.553 5.032 ( -10.915 2.160 -3.111) 11.553 5.142 ( -0.106 -10.401 -5.050) 11.563 5.142 ( -0.106 10.401 -5.050) 11.563 5.354 ( 3.029 -4.492 4.241) 6.881 5.354 ( 3.029 4.492 4.241) 6.881 5.533 ( -3.248 -11.170 7.339) 13.754 5.533 ( -3.248 11.170 7.339) 13.754 5.781 ( -4.490 -8.556 4.980) 10.870 5.781 ( -4.490 8.556 4.980) 10.870 5.935 ( -6.041 -6.435 -14.252) 16.764 5.935 ( -6.041 6.435 -14.252) 16.764 6.155 ( 9.466 -17.052 -0.894) 19.524 6.155 ( 9.466 17.052 -0.894) 19.524 6.690 ( -4.680 -6.099 -0.930) 7.744 6.690 ( -4.680 6.099 -0.930) 7.744 6.886 ( 4.625 -1.604 -2.353) 5.432 6.886 ( 4.625 1.604 -2.353) 5.432 7.024 ( -3.616 -8.898 -6.742) 11.735 7.024 ( -3.616 8.898 -6.742) 11.735 7.444 ( 2.433 -17.628 -2.673) 17.995 7.444 ( 2.433 17.628 -2.673) 17.995 7.650 ( -0.398 -13.084 6.033) 14.413 7.650 ( -0.398 13.084 6.033) 14.413 7.780 ( -1.065 -7.360 5.677) 9.356 7.780 ( -1.065 7.360 5.677) 9.356 8.269 ( 0.707 -6.133 0.412) 6.188 8.269 ( 0.707 6.133 0.412) 6.188 8.635 ( -4.111 -0.327 -19.322) 19.757 8.635 ( -4.111 0.327 -19.322) 19.757 8.917 ( -2.659 -11.539 -9.473) 15.164 8.917 ( -2.659 11.539 -9.473) 15.164 9.332 ( 0.588 -10.487 11.230) 15.376 9.332 ( 0.588 10.487 11.230) 15.376 10.061 ( 3.096 -9.669 -7.628) 12.699 10.061 ( 3.096 9.669 -7.628) 12.699 10.340 ( 1.800 -8.073 8.326) 11.737 10.340 ( 1.800 8.073 8.326) 11.737 10.533 ( 2.525 -1.529 1.629) 3.372 10.533 ( 2.525 1.529 1.629) 3.372 10.726 ( 3.103 -6.310 6.721) 9.727 10.726 ( 3.103 6.310 6.721) 9.727 11.129 ( 1.156 -16.218 -0.155) 16.260 11.129 ( 1.156 16.218 -0.155) 16.260 11.516 ( -2.004 -2.753 6.752) 7.563 11.516 ( -2.004 2.753 6.752) 7.563 11.991 ( 11.604 -2.956 1.325) 12.047 11.991 ( 11.604 2.956 1.325) 12.047 12.277 ( -1.246 -8.161 1.259) 8.351 12.277 ( -1.246 8.161 1.259) 8.351 12.530 ( 3.828 -2.826 -2.323) 5.295 12.530 ( 3.828 2.826 -2.323) 5.295 13.008 ( -11.142 -2.126 -7.114) 13.389 13.008 ( -11.142 2.126 -7.114) 13.389 13.346 ( 5.967 -8.100 -8.342) 13.069 13.346 ( 5.967 8.100 -8.342) 13.069 13.851 ( -5.438 -0.436 6.918) 8.810 13.851 ( -5.438 0.436 6.918) 8.810 14.165 ( -0.064 -7.918 -8.968) 11.964 14.165 ( -0.064 7.918 -8.968) 11.964 14.503 ( -7.604 -8.336 6.718) 13.131 14.503 ( -7.604 8.336 6.718) 13.131 15.098 ( 2.832 -10.022 1.013) 10.464 15.098 ( 2.832 10.022 1.013) 10.464 15.386 ( -4.091 -5.576 2.798) 7.460 15.386 ( -4.091 5.576 2.798) 7.460 16.365 ( -0.592 -6.749 -4.386) 8.071 16.365 ( -0.592 6.749 -4.386) 8.071 16.410 ( -0.909 -8.104 -5.405) 9.784 16.410 ( -0.909 8.104 -5.405) 9.784 17.060 ( 2.367 -5.350 -0.149) 5.852 17.060 ( 2.367 5.350 -0.149) 5.852 17.375 ( -1.257 -5.404 -3.358) 6.485 17.375 ( -1.257 5.404 -3.358) 6.485 17.654 ( 4.174 -4.725 0.240) 6.309 17.654 ( 4.174 4.725 0.240) 6.309 18.064 ( -2.709 -7.927 2.151) 8.649 18.064 ( -2.709 7.927 2.151) 8.649 18.556 ( 2.819 -18.199 -1.706) 18.495 18.556 ( 2.819 18.199 -1.706) 18.495 18.840 ( -0.951 -14.892 -7.616) 16.754 18.840 ( -0.951 14.892 -7.616) 16.754 20.190 ( 7.043 -14.182 4.903) 16.577 20.190 ( 7.043 14.182 4.903) 16.577 21.258 ( -8.863 -6.841 6.006) 12.706 21.258 ( -8.863 6.841 6.006) 12.706 21.747 ( 1.820 -3.230 -1.291) 3.926 21.747 ( 1.820 3.230 -1.291) 3.926 21.807 ( 0.809 -14.304 1.269) 14.383 21.807 ( 0.809 14.304 1.269) 14.383 24.480 ( 1.644 -19.544 0.038) 19.613 24.480 ( 1.644 19.544 0.038) 19.613 24.715 ( -1.597 -25.074 10.280) 27.146 24.715 ( -1.597 25.074 10.280) 27.146 25.871 ( 3.905 -5.482 -6.702) 9.498 25.871 ( 3.905 5.482 -6.702) 9.498 26.341 ( -0.841 -16.987 -19.038) 25.528 26.341 ( -0.841 16.987 -19.038) 25.528 27.004 ( 3.131 -10.351 7.657) 13.251 27.004 ( 3.131 10.351 7.657) 13.251 27.229 ( -1.180 -7.532 11.703) 13.967 27.229 ( -1.180 7.532 11.703) 13.967 27.435 ( 0.460 -8.341 0.079) 8.354 27.435 ( 0.460 8.341 0.079) 8.354 27.635 ( -2.364 -3.719 9.030) 10.048 27.635 ( -2.364 3.719 9.030) 10.048 27.951 ( 6.387 -0.933 5.693) 8.607 27.951 ( 6.387 0.933 5.693) 8.607 28.310 ( 0.381 -5.604 -1.790) 5.895 28.310 ( 0.381 5.604 -1.790) 5.895 28.379 ( -0.330 -4.060 -0.990) 4.192 28.379 ( -0.330 4.060 -0.990) 4.192 28.524 ( -1.314 -6.596 -0.678) 6.760 28.524 ( -1.314 6.596 -0.678) 6.760 28.951 ( 4.355 -0.287 0.220) 4.370 28.951 ( 4.355 0.287 0.220) 4.370 29.155 ( -4.921 -6.166 -0.410) 7.900 29.155 ( -4.921 6.166 -0.410) 7.900 29.334 ( -0.039 -4.947 -3.182) 5.882 29.334 ( -0.039 4.947 -3.182) 5.882 29.512 ( -0.684 -5.514 1.283) 5.702 29.512 ( -0.684 5.514 1.283) 5.702 29.800 ( 5.435 -5.940 -1.121) 8.129 29.800 ( 5.435 5.940 -1.121) 8.129 30.233 ( -0.548 -2.481 -1.506) 2.954 30.233 ( -0.548 2.481 -1.506) 2.954 31.581 ( 2.525 -8.164 -2.339) 8.859 31.581 ( 2.525 8.164 -2.339) 8.859 31.673 ( 3.780 -9.375 5.060) 11.304 31.673 ( 3.780 9.375 5.060) 11.304 32.481 ( -6.346 -4.583 -1.131) 7.909 32.481 ( -6.346 4.583 -1.131) 7.909 32.707 ( -5.511 -3.331 5.983) 8.790 32.707 ( -5.511 3.331 5.983) 8.790 33.097 ( 0.215 -4.108 -6.477) 7.673 33.097 ( 0.215 4.108 -6.477) 7.673 33.333 ( -9.775 -4.075 -3.387) 11.118 33.333 ( -9.775 4.075 -3.387) 11.118 34.038 ( 12.210 -11.734 -1.318) 16.986 34.038 ( 12.210 11.734 -1.318) 16.986 35.021 ( -7.951 -14.031 -3.035) 16.410 35.021 ( -7.951 14.031 -3.035) 16.410 ======================= Grid point 74 (31/64) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 3.612 -14.680 8.394) 17.291 2.946 ( 3.612 14.680 8.394) 17.291 3.227 ( -3.030 -14.446 16.461) 22.110 3.227 ( -3.030 14.446 16.461) 22.110 3.626 ( 10.155 -3.123 -5.812) 12.110 3.626 ( 10.155 3.123 -5.812) 12.110 3.892 ( 15.357 -3.583 5.736) 16.780 3.892 ( 15.357 3.583 5.736) 16.780 4.034 ( -0.414 -4.214 -1.730) 4.574 4.034 ( -0.414 4.214 -1.730) 4.574 4.421 ( -2.483 -3.104 9.509) 10.306 4.421 ( -2.483 3.104 9.509) 10.306 4.695 ( -3.084 -4.433 -5.662) 7.824 4.695 ( -3.084 4.433 -5.662) 7.824 4.882 ( -3.116 -8.618 2.536) 9.509 4.882 ( -3.116 8.618 2.536) 9.509 5.197 ( 3.469 -3.836 -1.588) 5.410 5.197 ( 3.469 3.836 -1.588) 5.410 5.371 ( -4.795 -10.506 4.958) 12.568 5.371 ( -4.795 10.506 4.958) 12.568 5.448 ( -0.262 -15.260 8.381) 17.412 5.448 ( -0.262 15.260 8.381) 17.412 5.620 ( -7.460 -3.702 0.034) 8.328 5.620 ( -7.460 3.702 0.034) 8.328 5.878 ( 1.539 -3.717 -5.506) 6.819 5.878 ( 1.539 3.717 -5.506) 6.819 6.294 ( -0.965 -10.954 -2.433) 11.262 6.294 ( -0.965 10.954 -2.433) 11.262 6.545 ( -4.510 -4.381 6.279) 8.886 6.545 ( -4.510 4.381 6.279) 8.886 6.821 ( -7.374 -2.436 -2.948) 8.306 6.821 ( -7.374 2.436 -2.948) 8.306 7.142 ( 9.253 -5.663 -0.442) 10.857 7.142 ( 9.253 5.663 -0.442) 10.857 7.427 ( -4.235 -26.069 2.193) 26.502 7.427 ( -4.235 26.069 2.193) 26.502 7.678 ( 4.271 -6.674 -2.778) 8.396 7.678 ( 4.271 6.674 -2.778) 8.396 7.821 ( 3.731 -12.799 1.834) 13.457 7.821 ( 3.731 12.799 1.834) 13.457 8.252 ( -3.037 -4.367 -0.627) 5.356 8.252 ( -3.037 4.367 -0.627) 5.356 8.375 ( -13.824 -2.227 -6.530) 15.450 8.375 ( -13.824 2.227 -6.530) 15.450 9.033 ( 9.648 -12.487 -12.207) 19.950 9.033 ( 9.648 12.487 -12.207) 19.950 9.324 ( -2.253 -8.891 1.641) 9.317 9.324 ( -2.253 8.891 1.641) 9.317 10.127 ( 2.757 -5.550 2.543) 6.698 10.127 ( 2.757 5.550 2.543) 6.698 10.287 ( -5.198 -7.105 7.879) 11.815 10.287 ( -5.198 7.105 7.879) 11.815 10.665 ( 8.105 -4.421 -2.009) 9.448 10.665 ( 8.105 4.421 -2.009) 9.448 10.786 ( 2.100 -5.553 3.473) 6.878 10.786 ( 2.100 5.553 3.473) 6.878 11.238 ( 9.064 -19.130 -5.892) 21.973 11.238 ( 9.064 19.130 -5.892) 21.973 11.527 ( 0.596 -9.437 5.768) 11.076 11.527 ( 0.596 9.437 5.768) 11.076 12.071 ( -0.127 -7.318 -0.866) 7.370 12.071 ( -0.127 7.318 -0.866) 7.370 12.349 ( 3.491 -3.004 -5.884) 7.472 12.349 ( 3.491 3.004 -5.884) 7.472 12.606 ( 2.019 -2.905 -0.722) 3.611 12.606 ( 2.019 2.905 -0.722) 3.611 12.730 ( -11.135 -2.772 -0.619) 11.492 12.730 ( -11.135 2.772 -0.619) 11.492 13.508 ( 8.375 -7.966 -2.560) 11.839 13.508 ( 8.375 7.966 -2.560) 11.839 13.745 ( -4.517 -0.540 1.360) 4.748 13.745 ( -4.517 0.540 1.360) 4.748 14.136 ( -1.835 -6.764 -3.997) 8.068 14.136 ( -1.835 6.764 -3.997) 8.068 14.307 ( -10.016 -10.990 3.255) 15.222 14.307 ( -10.016 10.990 3.255) 15.222 15.167 ( 3.384 -12.352 0.916) 12.840 15.167 ( 3.384 12.352 0.916) 12.840 15.300 ( -3.772 -9.386 3.079) 10.573 15.300 ( -3.772 9.386 3.079) 10.573 16.348 ( -0.589 -12.657 -6.091) 14.059 16.348 ( -0.589 12.657 -6.091) 14.059 16.386 ( -1.527 -12.026 -2.706) 12.421 16.386 ( -1.527 12.026 -2.706) 12.421 17.136 ( 4.784 -7.448 1.222) 8.936 17.136 ( 4.784 7.448 1.222) 8.936 17.330 ( -3.213 -7.351 -0.143) 8.024 17.330 ( -3.213 7.351 -0.143) 8.024 17.760 ( 5.700 -7.210 -0.193) 9.193 17.760 ( 5.700 7.210 -0.193) 9.193 17.987 ( -4.610 -8.468 0.731) 9.670 17.987 ( -4.610 8.468 0.731) 9.670 18.632 ( 4.241 -18.350 -3.496) 19.156 18.632 ( 4.241 18.350 -3.496) 19.156 18.799 ( -2.987 -16.633 -6.922) 18.261 18.799 ( -2.987 16.633 -6.922) 18.261 20.399 ( 12.765 -12.757 5.281) 18.804 20.399 ( 12.765 12.757 5.281) 18.804 21.012 ( -14.242 -9.269 5.827) 17.964 21.012 ( -14.242 9.269 5.827) 17.964 21.786 ( 1.783 -1.769 -1.298) 2.827 21.786 ( 1.783 1.769 -1.298) 2.827 21.821 ( 0.267 -11.054 0.016) 11.057 21.821 ( 0.267 11.054 0.016) 11.057 24.529 ( 3.051 -21.265 2.133) 21.588 24.529 ( 3.051 21.265 2.133) 21.588 24.669 ( -2.845 -23.055 7.152) 24.306 24.669 ( -2.845 23.055 7.152) 24.306 25.984 ( 6.685 -6.232 -7.558) 11.859 25.984 ( 6.685 6.232 -7.558) 11.859 26.277 ( -5.424 -11.905 -15.846) 20.549 26.277 ( -5.424 11.905 -15.846) 20.549 27.092 ( 4.769 -10.962 6.133) 13.435 27.092 ( 4.769 10.962 6.133) 13.435 27.207 ( -0.686 -8.519 10.618) 13.631 27.207 ( -0.686 8.519 10.618) 13.631 27.478 ( 3.026 -4.822 2.954) 6.413 27.478 ( 3.026 4.822 2.954) 6.413 27.596 ( -1.664 -4.938 7.835) 9.409 27.596 ( -1.664 4.938 7.835) 9.409 28.059 ( 4.571 -6.644 5.133) 9.560 28.059 ( 4.571 6.644 5.133) 9.560 28.320 ( -1.813 -10.291 -2.424) 10.727 28.320 ( -1.813 10.291 -2.424) 10.727 28.399 ( 1.997 -2.893 -3.044) 4.650 28.399 ( 1.997 2.893 -3.044) 4.650 28.487 ( -0.639 -2.140 2.573) 3.407 28.487 ( -0.639 2.140 2.573) 3.407 28.993 ( -0.296 -4.782 0.254) 4.798 28.993 ( -0.296 4.782 0.254) 4.798 29.046 ( -4.599 -5.672 0.949) 7.363 29.046 ( -4.599 5.672 0.949) 7.363 29.361 ( 2.421 -4.563 -4.505) 6.855 29.361 ( 2.421 4.563 -4.505) 6.855 29.477 ( -2.493 -3.444 -0.475) 4.278 29.477 ( -2.493 3.444 -0.475) 4.278 29.951 ( 8.305 -4.689 0.178) 9.540 29.951 ( 8.305 4.689 0.178) 9.540 30.202 ( -2.791 -3.671 -1.086) 4.738 30.202 ( -2.791 3.671 -1.086) 4.738 31.661 ( 5.335 -9.809 -2.770) 11.504 31.661 ( 5.335 9.809 -2.770) 11.504 31.779 ( 5.022 -4.780 2.181) 7.268 31.779 ( 5.022 4.780 2.181) 7.268 32.322 ( -6.693 -3.863 1.553) 7.882 32.322 ( -6.693 3.863 1.553) 7.882 32.539 ( -10.451 -6.752 3.114) 12.826 32.539 ( -10.451 6.752 3.114) 12.826 33.103 ( 0.535 -2.125 -5.392) 5.820 33.103 ( 0.535 2.125 -5.392) 5.820 33.184 ( -4.377 -4.269 -3.099) 6.855 33.184 ( -4.377 4.269 -3.099) 6.855 34.296 ( 12.421 -10.880 -0.345) 16.515 34.296 ( 12.421 10.880 -0.345) 16.515 34.809 ( -11.855 -12.916 -2.024) 17.648 34.809 ( -11.855 12.916 -2.024) 17.648 ======================= Grid point 76 (32/64) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -8.195 -9.557 10.719) 16.535 3.061 ( 6.752 -9.271 10.719) 15.698 3.061 ( -6.752 9.271 10.719) 15.698 3.061 ( 8.195 9.557 10.719) 16.535 3.889 ( -10.191 -9.395 -4.249) 14.497 3.889 ( 0.386 -7.895 -4.249) 8.974 3.889 ( -0.386 7.895 -4.249) 8.974 3.889 ( 10.191 9.395 -4.249) 14.497 4.230 ( -13.446 -8.349 2.059) 15.961 4.230 ( 4.110 -5.360 2.059) 7.061 4.230 ( -4.110 5.360 2.059) 7.061 4.230 ( 13.446 8.349 2.059) 15.961 4.783 ( -7.151 -4.564 -1.561) 8.626 4.783 ( 5.809 -4.059 -1.561) 7.256 4.783 ( -5.809 4.059 -1.561) 7.256 4.783 ( 7.152 4.564 -1.561) 8.626 5.250 ( -3.352 -7.869 8.606) 12.134 5.250 ( 3.344 -7.868 8.606) 12.131 5.250 ( -3.344 7.868 8.606) 12.131 5.250 ( 3.352 7.869 8.606) 12.134 5.526 ( -4.280 -2.802 -1.594) 5.358 5.526 ( 2.663 -2.246 -1.594) 3.831 5.526 ( -2.663 2.246 -1.594) 3.831 5.526 ( 4.280 2.802 -1.594) 5.358 6.044 ( -14.560 -6.048 2.756) 16.005 6.044 ( -8.223 0.691 2.756) 8.701 6.044 ( 8.223 -0.691 2.756) 8.701 6.044 ( 14.560 6.048 2.756) 16.005 6.644 ( -8.862 -10.732 2.601) 14.160 6.644 ( 8.036 -10.569 2.601) 13.529 6.644 ( -8.036 10.569 2.601) 13.529 6.644 ( 8.862 10.732 2.601) 14.160 7.305 ( -5.558 -19.226 2.863) 20.217 7.305 ( 4.480 -19.155 2.863) 19.880 7.305 ( -4.480 19.155 2.863) 19.880 7.305 ( 5.558 19.226 2.864) 20.217 7.808 ( -5.813 -9.308 -4.499) 11.861 7.808 ( 5.151 -9.210 -4.499) 11.472 7.808 ( -5.151 9.210 -4.499) 11.472 7.808 ( 5.813 9.308 -4.499) 11.861 8.213 ( -2.704 -4.309 -2.506) 5.671 8.213 ( 1.784 -4.187 -2.506) 5.195 8.213 ( -1.784 4.187 -2.506) 5.195 8.213 ( 2.704 4.309 -2.506) 5.671 9.222 ( -7.314 -11.208 -6.709) 14.971 9.222 ( 6.656 -11.105 -6.709) 14.582 9.222 ( -6.656 11.105 -6.709) 14.582 9.222 ( 7.314 11.208 -6.709) 14.971 10.188 ( -3.551 -8.659 8.068) 12.356 10.188 ( 3.291 -8.633 8.068) 12.266 10.188 ( -3.291 8.633 8.068) 12.266 10.188 ( 3.551 8.659 8.068) 12.356 10.787 ( -2.723 -7.370 -2.197) 8.158 10.787 ( 2.556 -7.355 -2.197) 8.090 10.787 ( -2.556 7.355 -2.197) 8.090 10.787 ( 2.723 7.370 -2.197) 8.158 11.441 ( -8.796 -16.864 -1.531) 19.082 11.441 ( 8.768 -16.861 -1.531) 19.066 11.441 ( -8.768 16.861 -1.531) 19.066 11.441 ( 8.796 16.864 -1.531) 19.082 12.198 ( -12.097 -4.857 -3.950) 13.621 12.198 ( -10.333 3.701 -3.950) 11.665 12.198 ( 10.333 -3.701 -3.950) 11.665 12.198 ( 12.097 4.857 -3.950) 13.621 12.645 ( -2.504 -7.078 1.148) 7.595 12.645 ( 2.423 -7.070 1.148) 7.562 12.645 ( -2.423 7.070 1.148) 7.562 12.645 ( 2.505 7.078 1.148) 7.595 13.652 ( -3.973 -5.355 -0.522) 6.688 13.652 ( 0.392 -4.977 -0.522) 5.019 13.652 ( -0.392 4.977 -0.522) 5.019 13.652 ( 3.973 5.355 -0.522) 6.688 14.148 ( -4.102 -8.623 -0.416) 9.558 14.148 ( 4.019 -8.613 -0.416) 9.514 14.148 ( -4.019 8.613 -0.416) 9.514 14.148 ( 4.102 8.623 -0.416) 9.558 15.232 ( -2.905 -12.816 1.928) 13.282 15.232 ( 2.847 -12.812 1.928) 13.266 15.232 ( -2.847 12.812 1.928) 13.266 15.232 ( 2.905 12.816 1.928) 13.282 16.354 ( -1.156 -14.469 -3.986) 15.053 16.354 ( 1.154 -14.469 -3.986) 15.053 16.354 ( -1.154 14.469 -3.986) 15.053 16.354 ( 1.156 14.469 -3.986) 15.053 17.242 ( -4.708 -8.796 1.413) 10.077 17.242 ( 4.061 -8.715 1.413) 9.718 17.242 ( -4.061 8.715 1.413) 9.718 17.242 ( 4.708 8.796 1.413) 10.077 17.879 ( -5.436 -8.994 -0.110) 10.510 17.879 ( 4.944 -8.923 -0.110) 10.202 17.879 ( -4.944 8.923 -0.110) 10.202 17.879 ( 5.436 8.994 -0.110) 10.510 18.722 ( -4.209 -17.922 -5.450) 19.199 18.722 ( 4.199 -17.921 -5.450) 19.197 18.722 ( -4.199 17.921 -5.450) 19.197 18.722 ( 4.209 17.922 -5.450) 19.199 20.697 ( -14.261 -13.286 5.607) 20.281 20.697 ( 6.089 -11.617 5.607) 14.264 20.697 ( -6.089 11.617 5.607) 14.264 20.697 ( 14.261 13.286 5.607) 20.281 21.815 ( -0.475 -12.732 -0.884) 12.771 21.815 ( 0.434 -12.732 -0.884) 12.770 21.815 ( -0.434 12.732 -0.884) 12.770 21.815 ( 0.475 12.732 -0.884) 12.771 24.601 ( -3.593 -21.949 4.463) 22.685 24.601 ( 3.592 -21.949 4.463) 22.685 24.601 ( -3.592 21.949 4.463) 22.685 24.601 ( 3.593 21.949 4.463) 22.685 26.135 ( -7.530 -8.459 -10.971) 15.768 26.135 ( 7.045 -8.354 -10.971) 15.485 26.135 ( -7.045 8.354 -10.971) 15.485 26.135 ( 7.530 8.459 -10.971) 15.768 27.177 ( -2.703 -12.008 7.665) 14.500 27.177 ( 2.594 -12.002 7.665) 14.475 27.177 ( -2.594 12.002 7.665) 14.475 27.177 ( 2.703 12.008 7.665) 14.500 27.546 ( -3.259 -4.941 5.423) 8.027 27.546 ( 3.251 -4.940 5.423) 8.024 27.546 ( -3.251 4.940 5.423) 8.024 27.546 ( 3.259 4.941 5.423) 8.027 28.189 ( -7.939 -12.473 2.048) 14.927 28.189 ( 7.933 -12.472 2.048) 14.922 28.189 ( -7.933 12.472 2.048) 14.922 28.189 ( 7.939 12.473 2.048) 14.927 28.468 ( -1.542 -7.061 -0.597) 7.251 28.468 ( 0.826 -7.031 -0.597) 7.104 28.468 ( -0.826 7.031 -0.597) 7.104 28.468 ( 1.542 7.061 -0.597) 7.251 28.987 ( -0.856 -5.040 0.481) 5.135 28.987 ( 0.826 -5.039 0.481) 5.129 28.987 ( -0.826 5.039 0.481) 5.129 28.987 ( 0.856 5.040 0.481) 5.135 29.419 ( -2.907 -2.902 -2.654) 4.890 29.419 ( 2.617 -2.832 -2.654) 4.681 29.419 ( -2.617 2.832 -2.654) 4.681 29.419 ( 2.907 2.902 -2.654) 4.890 30.108 ( -5.815 -5.447 -0.227) 7.971 30.108 ( 2.683 -4.797 -0.227) 5.501 30.108 ( -2.683 4.797 -0.227) 5.501 30.108 ( 5.815 5.447 -0.227) 7.971 31.784 ( -4.568 -9.397 -2.009) 10.640 31.784 ( 3.925 -9.324 -2.009) 10.314 31.784 ( -3.925 9.324 -2.009) 10.314 31.784 ( 4.568 9.397 -2.009) 10.640 32.326 ( -7.013 -8.766 3.084) 11.642 32.326 ( 4.394 -8.329 3.084) 9.909 32.326 ( -4.394 8.329 3.084) 9.909 32.326 ( 7.013 8.766 3.084) 11.642 33.126 ( -1.350 -5.631 -3.629) 6.834 33.126 ( 1.050 -5.615 -3.629) 6.768 33.126 ( -1.050 5.615 -3.629) 6.768 33.126 ( 1.350 5.631 -3.629) 6.834 34.553 ( -12.261 -12.039 -0.957) 17.210 34.553 ( 10.582 -11.634 -0.957) 15.756 34.553 ( -10.582 11.634 -0.957) 15.756 34.553 ( 12.261 12.039 -0.957) 17.210 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.000 0.000 40.413) 40.413 2.039 ( 0.000 0.000 48.972) 48.972 2.943 ( 0.000 0.000 -26.350) 26.350 2.966 ( 0.000 0.000 43.554) 43.554 3.600 ( 0.000 0.000 29.910) 29.910 3.690 ( 0.000 0.000 -0.611) 0.611 3.711 ( 0.000 0.000 -2.265) 2.265 3.865 ( 0.000 0.000 9.465) 9.465 4.067 ( 0.000 0.000 -1.671) 1.671 4.113 ( 0.000 0.000 -0.339) 0.339 4.282 ( 0.000 0.000 -0.163) 0.163 4.455 ( 0.000 0.000 -3.478) 3.478 4.491 ( 0.000 0.000 9.521) 9.521 4.550 ( 0.000 0.000 -8.435) 8.435 4.830 ( 0.000 0.000 -6.472) 6.472 5.132 ( 0.000 0.000 9.859) 9.859 5.141 ( 0.000 0.000 -14.623) 14.623 5.154 ( 0.000 0.000 -21.427) 21.427 5.258 ( 0.000 0.000 -7.729) 7.729 5.432 ( 0.000 0.000 -8.451) 8.451 5.475 ( 0.000 0.000 10.686) 10.686 5.604 ( 0.000 0.000 30.586) 30.586 5.895 ( 0.000 0.000 -13.035) 13.035 5.945 ( 0.000 0.000 -1.406) 1.406 6.059 ( 0.000 0.000 8.816) 8.816 6.069 ( 0.000 0.000 8.631) 8.631 6.135 ( 0.000 0.000 -6.376) 6.376 6.228 ( 0.000 0.000 1.882) 1.882 6.413 ( 0.000 0.000 -4.191) 4.191 6.509 ( 0.000 0.000 26.387) 26.387 6.872 ( 0.000 0.000 -24.734) 24.734 6.985 ( 0.000 0.000 -1.998) 1.998 7.044 ( 0.000 0.000 -9.373) 9.373 7.231 ( 0.000 0.000 18.411) 18.411 7.267 ( 0.000 0.000 -15.693) 15.693 7.561 ( 0.000 0.000 11.730) 11.730 7.693 ( 0.000 0.000 -11.692) 11.692 7.834 ( 0.000 0.000 -22.461) 22.461 8.093 ( 0.000 0.000 -26.192) 26.192 8.110 ( 0.000 0.000 -10.709) 10.709 8.225 ( 0.000 0.000 6.377) 6.377 8.386 ( 0.000 0.000 0.457) 0.457 8.585 ( 0.000 0.000 7.769) 7.769 8.765 ( 0.000 0.000 10.030) 10.030 9.083 ( 0.000 0.000 -1.226) 1.226 9.252 ( 0.000 0.000 -4.415) 4.415 9.344 ( 0.000 0.000 -5.499) 5.499 9.560 ( 0.000 0.000 -27.777) 27.777 9.654 ( 0.000 0.000 23.408) 23.408 10.009 ( 0.000 0.000 6.369) 6.369 10.075 ( 0.000 0.000 16.423) 16.423 10.304 ( 0.000 0.000 -5.299) 5.299 10.433 ( 0.000 0.000 2.849) 2.849 10.555 ( 0.000 0.000 27.900) 27.900 10.564 ( 0.000 0.000 -19.427) 19.427 10.783 ( 0.000 0.000 12.673) 12.673 11.343 ( 0.000 0.000 -8.047) 8.047 11.431 ( 0.000 0.000 8.540) 8.540 11.592 ( 0.000 0.000 -15.865) 15.865 11.801 ( 0.000 0.000 2.560) 2.560 11.820 ( 0.000 0.000 14.473) 14.473 12.115 ( 0.000 0.000 -5.315) 5.315 12.128 ( 0.000 0.000 2.715) 2.715 12.246 ( 0.000 0.000 1.190) 1.190 12.680 ( 0.000 0.000 -10.338) 10.338 12.741 ( 0.000 0.000 3.334) 3.334 12.766 ( 0.000 0.000 -8.252) 8.252 13.012 ( 0.000 0.000 -8.951) 8.951 13.051 ( 0.000 0.000 12.736) 12.736 13.126 ( 0.000 0.000 -0.438) 0.438 13.251 ( 0.000 0.000 22.498) 22.498 13.406 ( 0.000 0.000 -12.166) 12.166 13.655 ( 0.000 0.000 -16.835) 16.835 13.892 ( 0.000 0.000 -0.650) 0.650 14.292 ( 0.000 0.000 8.715) 8.715 14.612 ( 0.000 0.000 -8.527) 8.527 15.248 ( 0.000 0.000 10.551) 10.551 15.315 ( 0.000 0.000 11.275) 11.275 15.701 ( 0.000 0.000 -12.793) 12.793 16.039 ( 0.000 0.000 -20.388) 20.388 16.066 ( 0.000 0.000 6.059) 6.059 16.123 ( 0.000 0.000 8.691) 8.691 16.320 ( 0.000 0.000 -0.458) 0.458 16.569 ( 0.000 0.000 -16.771) 16.771 16.914 ( 0.000 0.000 7.249) 7.249 17.385 ( 0.000 0.000 -15.162) 15.162 17.530 ( 0.000 0.000 4.662) 4.662 17.672 ( 0.000 0.000 -2.160) 2.160 17.917 ( 0.000 0.000 3.182) 3.182 18.043 ( 0.000 0.000 1.693) 1.693 18.057 ( 0.000 0.000 -4.494) 4.494 18.146 ( 0.000 0.000 -2.106) 2.106 18.372 ( 0.000 0.000 1.503) 1.503 18.407 ( 0.000 0.000 -1.042) 1.042 19.236 ( 0.000 0.000 9.112) 9.112 19.451 ( 0.000 0.000 -1.888) 1.888 19.708 ( 0.000 0.000 4.664) 4.664 19.983 ( 0.000 0.000 -10.835) 10.835 20.525 ( 0.000 0.000 9.356) 9.356 21.181 ( 0.000 0.000 -23.011) 23.011 21.280 ( 0.000 0.000 4.792) 4.792 21.290 ( 0.000 0.000 1.479) 1.479 22.236 ( 0.000 0.000 15.950) 15.950 22.698 ( 0.000 0.000 -4.406) 4.406 23.377 ( 0.000 0.000 25.331) 25.331 24.325 ( 0.000 0.000 22.099) 22.099 24.529 ( 0.000 0.000 -29.875) 29.875 25.208 ( 0.000 0.000 -21.662) 21.662 25.607 ( 0.000 0.000 5.377) 5.377 25.891 ( 0.000 0.000 -9.178) 9.178 26.097 ( 0.000 0.000 17.939) 17.939 26.314 ( 0.000 0.000 3.489) 3.489 26.468 ( 0.000 0.000 -3.440) 3.440 26.765 ( 0.000 0.000 -13.392) 13.392 27.168 ( 0.000 0.000 18.533) 18.533 27.486 ( 0.000 0.000 7.719) 7.719 27.547 ( 0.000 0.000 8.998) 8.998 27.615 ( 0.000 0.000 -6.284) 6.284 27.643 ( 0.000 0.000 8.905) 8.905 27.872 ( 0.000 0.000 -6.595) 6.595 27.875 ( 0.000 0.000 -2.474) 2.474 27.971 ( 0.000 0.000 -13.000) 13.000 28.334 ( 0.000 0.000 6.691) 6.691 28.413 ( 0.000 0.000 10.207) 10.207 28.498 ( 0.000 0.000 -3.705) 3.705 28.712 ( 0.000 0.000 0.099) 0.099 28.816 ( 0.000 0.000 -3.845) 3.845 28.873 ( 0.000 0.000 8.434) 8.434 28.892 ( 0.000 0.000 -6.897) 6.897 28.915 ( 0.000 0.000 0.702) 0.702 28.921 ( 0.000 0.000 0.752) 0.752 29.097 ( 0.000 0.000 -4.414) 4.414 29.537 ( 0.000 0.000 1.513) 1.513 29.701 ( 0.000 0.000 -9.894) 9.894 29.822 ( 0.000 0.000 0.531) 0.531 29.834 ( 0.000 0.000 -0.329) 0.329 30.144 ( 0.000 0.000 -0.084) 0.084 30.162 ( 0.000 0.000 -0.586) 0.586 30.220 ( 0.000 0.000 3.989) 3.989 30.472 ( 0.000 0.000 -4.966) 4.966 31.125 ( 0.000 0.000 23.580) 23.580 31.385 ( 0.000 0.000 11.591) 11.591 31.756 ( 0.000 0.000 -6.676) 6.676 32.012 ( 0.000 0.000 -18.628) 18.628 32.493 ( 0.000 0.000 7.273) 7.273 32.661 ( 0.000 0.000 -1.116) 1.116 32.835 ( 0.000 0.000 4.224) 4.224 32.915 ( 0.000 0.000 -2.538) 2.538 32.979 ( 0.000 0.000 -6.391) 6.391 32.995 ( 0.000 0.000 -5.081) 5.081 33.033 ( 0.000 0.000 3.241) 3.241 33.142 ( 0.000 0.000 0.365) 0.365 33.658 ( 0.000 0.000 7.268) 7.268 33.925 ( 0.000 0.000 -6.073) 6.073 34.540 ( 0.000 0.000 -0.912) 0.912 34.688 ( 0.000 0.000 -7.124) 7.124 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 15.457 0.000 36.529) 39.665 2.218 ( 16.511 0.000 44.372) 47.344 3.025 ( 7.371 0.000 -24.117) 25.218 3.201 ( 18.628 0.000 29.570) 34.948 3.703 ( 1.624 0.000 1.468) 2.189 3.739 ( 9.774 0.000 21.163) 23.311 3.780 ( 4.803 0.000 -6.062) 7.734 3.887 ( 1.327 0.000 6.734) 6.863 3.941 ( -6.112 0.000 0.172) 6.114 4.266 ( 9.719 0.000 1.754) 9.877 4.302 ( -7.515 0.000 1.361) 7.638 4.392 ( 4.575 0.000 14.391) 15.101 4.404 ( -3.309 0.000 0.056) 3.310 4.505 ( -3.922 0.000 -7.958) 8.872 4.802 ( -3.875 0.000 -9.790) 10.529 5.031 ( -8.094 0.000 8.726) 11.902 5.049 ( -4.421 0.000 -14.056) 14.735 5.205 ( -5.497 0.000 -2.392) 5.995 5.300 ( 3.807 0.000 -19.539) 19.906 5.378 ( -2.908 0.000 -5.789) 6.478 5.434 ( -4.994 0.000 8.968) 10.265 5.563 ( -3.769 0.000 20.042) 20.393 5.706 ( -9.778 0.000 -1.313) 9.866 5.792 ( -9.917 0.000 2.806) 10.306 5.943 ( -0.378 0.000 -2.238) 2.270 6.001 ( -9.902 0.000 -8.241) 12.882 6.139 ( -8.258 0.000 9.108) 12.294 6.255 ( 9.462 0.000 0.069) 9.463 6.415 ( -0.028 0.000 7.121) 7.122 6.700 ( 5.918 0.000 17.490) 18.465 6.812 ( -0.966 0.000 -21.332) 21.354 7.047 ( -3.986 0.000 7.795) 8.755 7.130 ( 4.662 0.000 -6.763) 8.214 7.171 ( 7.953 0.000 -4.345) 9.062 7.432 ( -21.608 0.000 -12.905) 25.169 7.480 ( 9.347 0.000 -10.650) 14.170 7.548 ( 3.826 0.000 10.981) 11.629 7.985 ( 9.247 0.000 -12.658) 15.676 8.099 ( -1.671 0.000 -9.119) 9.271 8.142 ( 12.845 0.000 -15.713) 20.295 8.357 ( 8.971 0.000 -0.534) 8.987 8.415 ( 3.492 0.000 3.487) 4.935 8.760 ( 0.103 0.000 10.202) 10.203 8.811 ( 11.442 0.000 3.901) 12.089 9.047 ( -6.409 0.000 -1.949) 6.699 9.064 ( -11.642 0.000 0.253) 11.645 9.234 ( -8.803 0.000 -4.707) 9.982 9.325 ( -8.949 0.000 7.572) 11.723 9.958 ( 17.438 0.000 -8.905) 19.580 10.053 ( 3.484 0.000 6.659) 7.515 10.222 ( -8.898 0.000 -4.836) 10.128 10.222 ( 10.433 0.000 11.003) 15.162 10.376 ( -12.212 0.000 20.901) 24.207 10.487 ( 6.128 0.000 -7.479) 9.669 10.666 ( 7.673 0.000 -12.868) 14.981 10.820 ( 3.336 0.000 11.021) 11.515 11.288 ( -10.058 0.000 17.217) 19.939 11.337 ( -3.030 0.000 -10.308) 10.744 11.461 ( -9.846 0.000 -18.165) 20.662 11.676 ( -9.478 0.000 5.401) 10.909 11.978 ( 13.467 0.000 16.088) 20.981 12.129 ( 0.286 0.000 -3.683) 3.694 12.239 ( 9.710 0.000 -1.019) 9.763 12.279 ( 1.047 0.000 -7.232) 7.307 12.696 ( 1.467 0.000 -9.962) 10.069 12.705 ( -2.435 0.000 5.472) 5.989 12.736 ( -2.084 0.000 -8.524) 8.775 12.948 ( -3.642 0.000 9.026) 9.733 13.031 ( 0.692 0.000 -8.848) 8.875 13.182 ( -6.215 0.000 21.674) 22.547 13.232 ( 6.301 0.000 4.543) 7.768 13.294 ( -10.203 0.000 -11.643) 15.481 13.650 ( 0.118 0.000 -10.886) 10.887 13.791 ( -9.441 0.000 -1.181) 9.515 14.252 ( -2.540 0.000 7.398) 7.821 14.589 ( -2.897 0.000 -9.571) 10.000 15.316 ( 5.000 0.000 9.142) 10.420 15.367 ( 4.824 0.000 11.640) 12.600 15.734 ( 1.969 0.000 -10.902) 11.079 15.975 ( -5.530 0.000 0.743) 5.580 16.036 ( -6.339 0.000 7.734) 10.000 16.122 ( 5.062 0.000 -12.406) 13.399 16.295 ( -2.818 0.000 -2.916) 4.055 16.566 ( -0.737 0.000 -17.383) 17.399 16.960 ( 3.970 0.000 7.243) 8.260 17.344 ( -3.543 0.000 -11.090) 11.642 17.535 ( 0.453 0.000 4.778) 4.800 17.662 ( -1.066 0.000 -1.790) 2.084 17.935 ( 1.180 0.000 1.736) 2.099 18.021 ( -2.632 0.000 -2.508) 3.635 18.059 ( 1.478 0.000 0.763) 1.663 18.143 ( -0.243 0.000 -2.149) 2.163 18.340 ( -1.504 0.000 3.256) 3.587 18.393 ( -1.336 0.000 -0.392) 1.392 19.397 ( 11.269 0.000 4.344) 12.077 19.512 ( 4.615 0.000 -0.871) 4.696 19.760 ( 4.997 0.000 4.904) 7.001 20.038 ( 4.920 0.000 -10.622) 11.707 20.548 ( 2.145 0.000 7.036) 7.355 21.111 ( -6.150 0.000 -19.173) 20.135 21.111 ( -11.856 0.000 6.214) 13.386 21.254 ( -6.701 0.000 -1.464) 6.859 22.300 ( 5.503 0.000 12.480) 13.640 22.681 ( -1.462 0.000 -3.540) 3.830 23.419 ( 4.114 0.000 25.384) 25.715 24.167 ( -9.849 0.000 12.117) 15.615 24.706 ( 10.857 0.000 -20.773) 23.439 25.180 ( -2.536 0.000 -21.873) 22.020 25.636 ( 2.698 0.000 6.213) 6.774 25.934 ( 3.163 0.000 -6.193) 6.954 26.077 ( -1.119 0.000 13.884) 13.929 26.391 ( 7.388 0.000 4.109) 8.454 26.522 ( 5.057 0.000 -1.857) 5.387 26.706 ( -5.489 0.000 -12.999) 14.111 27.149 ( -1.919 0.000 16.938) 17.047 27.484 ( -1.049 0.000 5.571) 5.669 27.605 ( -0.885 0.000 -3.253) 3.371 27.607 ( 5.779 0.000 9.726) 11.313 27.637 ( -0.501 0.000 8.792) 8.806 27.836 ( -1.579 0.000 -0.694) 1.725 27.888 ( 1.347 0.000 -3.124) 3.402 27.976 ( 0.563 0.000 -11.078) 11.092 28.266 ( -5.689 0.000 4.522) 7.267 28.355 ( -2.333 0.000 1.197) 2.623 28.650 ( 8.905 0.000 5.055) 10.239 28.727 ( 1.201 0.000 -0.409) 1.269 28.809 ( -0.628 0.000 -3.460) 3.516 28.822 ( -0.955 0.000 11.263) 11.304 28.931 ( 1.568 0.000 1.041) 1.882 28.937 ( 1.432 0.000 0.947) 1.717 28.994 ( 8.080 0.000 -7.585) 11.082 29.245 ( 11.005 0.000 -5.253) 12.194 29.503 ( -3.190 0.000 1.312) 3.449 29.703 ( 0.610 0.000 -10.400) 10.418 29.782 ( -2.708 0.000 1.212) 2.967 29.829 ( -1.400 0.000 -0.339) 1.441 30.128 ( -8.311 0.000 0.305) 8.316 30.134 ( -0.821 0.000 -0.701) 1.080 30.154 ( -0.734 0.000 -1.095) 1.318 30.311 ( -12.997 0.000 -5.839) 14.248 31.193 ( 6.490 0.000 21.713) 22.662 31.410 ( 2.363 0.000 11.785) 12.020 31.773 ( 0.236 0.000 -6.654) 6.659 32.014 ( -0.876 0.000 -16.892) 16.915 32.384 ( -6.253 0.000 6.660) 9.136 32.551 ( -17.028 0.000 5.955) 18.039 32.700 ( -0.970 0.000 -7.556) 7.618 32.775 ( -12.450 0.000 -5.466) 13.597 32.920 ( 4.071 0.000 1.887) 4.487 33.078 ( 7.430 0.000 -4.641) 8.760 33.189 ( 5.950 0.000 8.291) 10.205 33.260 ( 7.106 0.000 4.399) 8.357 33.607 ( -4.854 0.000 7.177) 8.664 33.867 ( -5.436 0.000 -5.886) 8.012 34.573 ( 3.102 0.000 -1.713) 3.543 34.819 ( 7.342 0.000 -15.502) 17.153 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 25.240 0.000 27.812) 37.557 2.666 ( 25.054 0.000 32.048) 40.679 3.115 ( -5.722 0.000 -13.004) 14.207 3.471 ( 1.401 0.000 11.469) 11.554 3.667 ( -5.214 0.000 4.120) 6.645 3.815 ( -5.702 0.000 2.819) 6.361 3.839 ( 4.669 0.000 17.012) 17.641 3.904 ( 6.118 0.000 -3.937) 7.275 3.959 ( 6.507 0.000 -9.215) 11.281 4.210 ( 1.701 0.000 -4.575) 4.881 4.313 ( -5.716 0.000 -8.609) 10.333 4.418 ( -0.767 0.000 -9.061) 9.093 4.601 ( 18.914 0.000 22.822) 29.641 4.660 ( 8.360 0.000 1.963) 8.587 4.675 ( 0.418 0.000 -10.270) 10.279 4.889 ( -14.881 0.000 -7.181) 16.523 4.919 ( 1.105 0.000 6.353) 6.449 5.092 ( -3.171 0.000 1.497) 3.507 5.105 ( -11.059 0.000 -9.903) 14.845 5.265 ( -9.274 0.000 7.403) 11.867 5.313 ( -5.880 0.000 1.681) 6.116 5.481 ( -13.427 0.000 -1.615) 13.524 5.549 ( 3.971 0.000 5.512) 6.794 5.847 ( -1.913 0.000 -3.550) 4.033 5.925 ( 16.414 0.000 -11.699) 20.156 5.941 ( -1.389 0.000 -0.377) 1.439 6.094 ( 0.323 0.000 17.886) 17.889 6.263 ( -8.896 0.000 10.955) 14.112 6.410 ( 5.918 0.000 3.733) 6.996 6.639 ( -10.934 0.000 14.246) 17.959 6.756 ( -7.195 0.000 -0.141) 7.197 6.831 ( -21.236 0.000 -7.472) 22.512 7.119 ( 0.303 0.000 -14.809) 14.812 7.251 ( 9.571 0.000 2.599) 9.917 7.298 ( 2.786 0.000 -9.514) 9.914 7.629 ( 0.892 0.000 -11.088) 11.124 7.774 ( 13.379 0.000 1.279) 13.440 8.034 ( -3.110 0.000 -6.726) 7.411 8.170 ( 10.062 0.000 1.685) 10.202 8.448 ( 9.799 0.000 -6.701) 11.871 8.466 ( 3.462 0.000 0.365) 3.481 8.544 ( 5.210 0.000 6.242) 8.131 8.756 ( -12.071 0.000 2.260) 12.281 8.801 ( 3.435 0.000 7.451) 8.205 8.906 ( 3.596 0.000 16.973) 17.350 8.927 ( -8.160 0.000 -0.488) 8.174 9.064 ( -6.983 0.000 -3.353) 7.746 9.291 ( 0.990 0.000 2.880) 3.046 9.960 ( -10.813 0.000 9.002) 14.069 10.126 ( -7.761 0.000 11.319) 13.724 10.149 ( 5.361 0.000 4.037) 6.711 10.333 ( -0.592 0.000 -0.640) 0.872 10.388 ( 17.916 0.000 -30.200) 35.115 10.684 ( 10.728 0.000 -7.528) 13.106 10.808 ( 4.722 0.000 -9.995) 11.054 10.896 ( 2.535 0.000 1.862) 3.145 11.186 ( 1.890 0.000 19.206) 19.298 11.187 ( -9.877 0.000 -18.271) 20.769 11.269 ( -7.935 0.000 -5.578) 9.700 11.480 ( -8.930 0.000 8.723) 12.483 12.146 ( 1.517 0.000 -11.127) 11.230 12.253 ( 10.565 0.000 9.288) 14.068 12.255 ( -2.542 0.000 -17.838) 18.018 12.479 ( 13.835 0.000 5.775) 14.992 12.608 ( -7.308 0.000 -6.377) 9.699 12.673 ( 0.013 0.000 7.511) 7.511 12.855 ( 11.672 0.000 -6.668) 13.443 12.917 ( -4.024 0.000 0.079) 4.025 13.001 ( -2.563 0.000 -2.307) 3.449 13.013 ( -9.826 0.000 18.069) 20.568 13.106 ( -3.607 0.000 -4.548) 5.805 13.369 ( 6.881 0.000 5.871) 9.045 13.522 ( -15.875 0.000 -1.861) 15.983 13.631 ( -3.143 0.000 -0.906) 3.271 14.237 ( 1.994 0.000 -0.580) 2.076 14.486 ( -6.721 0.000 -9.867) 11.938 15.423 ( 5.544 0.000 8.730) 10.342 15.500 ( 7.534 0.000 11.926) 14.107 15.703 ( -5.816 0.000 1.299) 5.960 15.833 ( -7.762 0.000 7.553) 10.830 15.972 ( 1.728 0.000 -2.789) 3.281 16.201 ( -6.013 0.000 -6.543) 8.886 16.257 ( 7.401 0.000 -14.803) 16.550 16.521 ( -3.872 0.000 -17.303) 17.731 17.058 ( 5.103 0.000 6.132) 7.978 17.258 ( -4.491 0.000 -3.377) 5.619 17.551 ( 1.183 0.000 3.699) 3.883 17.629 ( -2.026 0.000 -0.686) 2.139 17.952 ( 0.486 0.000 0.364) 0.607 17.978 ( -1.337 0.000 -0.887) 1.605 18.096 ( 1.825 0.000 -0.745) 1.971 18.138 ( -0.286 0.000 -2.062) 2.082 18.328 ( 0.107 0.000 3.247) 3.249 18.362 ( -1.388 0.000 1.136) 1.793 19.578 ( 5.146 0.000 1.050) 5.252 19.595 ( 3.006 0.000 -0.131) 3.009 19.912 ( 9.407 0.000 4.882) 10.598 20.151 ( 4.238 0.000 -7.871) 8.939 20.623 ( 5.442 0.000 3.449) 6.443 20.859 ( -9.958 0.000 4.959) 11.125 20.953 ( -8.589 0.000 -10.735) 13.748 21.044 ( -12.205 0.000 -4.425) 12.982 22.432 ( 6.678 0.000 6.431) 9.270 22.640 ( -2.723 0.000 -1.781) 3.254 23.549 ( 8.252 0.000 23.862) 25.248 23.960 ( -10.198 0.000 14.997) 18.136 24.899 ( 7.537 0.000 -23.725) 24.893 25.113 ( -3.723 0.000 -23.221) 23.517 25.712 ( 4.442 0.000 8.454) 9.550 25.923 ( -4.347 0.000 10.605) 11.461 26.147 ( 7.951 0.000 -5.837) 9.864 26.550 ( -9.218 0.000 -12.126) 15.232 26.584 ( 9.563 0.000 6.406) 11.510 26.670 ( 8.351 0.000 3.034) 8.885 27.100 ( -1.678 0.000 11.063) 11.190 27.389 ( -8.485 0.000 -1.858) 8.686 27.600 ( 0.476 0.000 6.801) 6.817 27.626 ( -0.586 0.000 8.862) 8.881 27.771 ( 9.142 0.000 12.216) 15.258 27.859 ( 3.850 0.000 4.932) 6.257 27.931 ( 2.619 0.000 -4.828) 5.493 27.989 ( 0.386 0.000 -8.119) 8.129 28.134 ( -6.341 0.000 2.196) 6.711 28.262 ( -7.212 0.000 3.993) 8.244 28.749 ( 0.850 0.000 -0.536) 1.005 28.792 ( -1.021 0.000 -2.074) 2.312 28.827 ( 8.025 0.000 7.280) 10.835 28.881 ( 5.961 0.000 10.308) 11.908 28.969 ( 1.939 0.000 0.927) 2.149 28.977 ( 1.981 0.000 0.812) 2.141 29.191 ( 8.994 0.000 -6.783) 11.266 29.425 ( -3.492 0.000 1.566) 3.827 29.444 ( 6.579 0.000 -7.279) 9.812 29.732 ( -1.639 0.000 1.877) 2.492 29.736 ( 2.953 0.000 -14.116) 14.421 29.780 ( -2.953 0.000 0.602) 3.013 29.910 ( -11.829 0.000 -4.467) 12.644 30.039 ( -11.332 0.000 -9.784) 14.971 30.119 ( -0.485 0.000 -1.957) 2.016 30.135 ( -0.955 0.000 -2.147) 2.350 31.384 ( 11.550 0.000 16.530) 20.165 31.485 ( 4.896 0.000 10.821) 11.877 31.727 ( -4.667 0.000 -0.222) 4.672 31.905 ( -10.026 0.000 -2.969) 10.456 32.306 ( -5.742 0.000 2.488) 6.258 32.346 ( 3.050 0.000 -3.952) 4.992 32.510 ( -12.289 0.000 -6.105) 13.722 32.609 ( -6.490 0.000 -11.588) 13.282 33.071 ( 9.178 0.000 5.285) 10.591 33.265 ( 10.307 0.000 -4.233) 11.142 33.302 ( 4.991 0.000 10.977) 12.058 33.368 ( 3.008 0.000 7.822) 8.381 33.466 ( -8.413 0.000 6.871) 10.862 33.709 ( -9.469 0.000 -5.376) 10.888 34.662 ( 5.285 0.000 -5.031) 7.297 34.874 ( -1.850 0.000 -15.927) 16.034 ======================= Grid point 101 (36/64) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -26.368 0.000 14.781) 30.228 2.727 ( 26.368 0.000 14.781) 30.228 3.183 ( -23.011 0.000 17.941) 29.178 3.183 ( 23.011 0.000 17.941) 29.178 3.689 ( -5.292 0.000 4.932) 7.234 3.689 ( 5.292 0.000 4.932) 7.234 4.021 ( -3.811 0.000 -4.426) 5.841 4.021 ( 3.811 0.000 -4.426) 5.841 4.112 ( -15.186 0.000 -5.442) 16.132 4.112 ( 15.186 0.000 -5.442) 16.132 4.299 ( -6.848 0.000 -15.972) 17.378 4.299 ( 6.848 0.000 -15.972) 17.378 4.597 ( -5.542 0.000 -4.483) 7.128 4.597 ( 5.542 0.000 -4.483) 7.128 4.945 ( -8.559 0.000 -10.743) 13.736 4.945 ( 8.559 0.000 -10.743) 13.736 5.001 ( -12.881 0.000 10.196) 16.428 5.001 ( 12.881 0.000 10.196) 16.428 5.116 ( -8.494 0.000 8.030) 11.689 5.116 ( 8.494 0.000 8.030) 11.689 5.192 ( -7.013 0.000 3.446) 7.814 5.192 ( 7.013 0.000 3.446) 7.814 5.800 ( -18.267 0.000 10.080) 20.863 5.800 ( 18.267 0.000 10.080) 20.863 5.883 ( -3.736 0.000 0.382) 3.755 5.883 ( 3.736 0.000 0.382) 3.755 6.269 ( -6.424 0.000 -4.118) 7.630 6.269 ( 6.424 0.000 -4.118) 7.630 6.470 ( -9.466 0.000 10.343) 14.021 6.470 ( 9.466 0.000 10.343) 14.021 6.552 ( -9.142 0.000 9.082) 12.886 6.552 ( 9.142 0.000 9.082) 12.886 7.231 ( -7.570 0.000 -20.558) 21.907 7.231 ( 7.570 0.000 -20.558) 21.907 7.494 ( -11.370 0.000 -3.231) 11.820 7.494 ( 11.370 0.000 -3.231) 11.820 7.978 ( -5.143 0.000 0.531) 5.170 7.978 ( 5.143 0.000 0.531) 5.170 8.404 ( -10.278 0.000 8.499) 13.336 8.404 ( 10.278 0.000 8.499) 13.336 8.527 ( -4.007 0.000 0.713) 4.070 8.527 ( 4.007 0.000 0.713) 4.070 8.723 ( -7.780 0.000 5.691) 9.639 8.723 ( 7.780 0.000 5.691) 9.639 8.932 ( -6.036 0.000 -0.308) 6.044 8.932 ( 6.036 0.000 -0.308) 6.044 9.141 ( -14.340 0.000 6.179) 15.615 9.141 ( 14.340 0.000 6.179) 15.615 9.942 ( -7.467 0.000 4.961) 8.965 9.942 ( 7.467 0.000 4.961) 8.965 10.260 ( -5.075 0.000 1.050) 5.182 10.260 ( 5.075 0.000 1.050) 5.182 10.761 ( -15.662 0.000 -27.967) 32.054 10.761 ( 15.662 0.000 -27.967) 32.054 10.833 ( -2.843 0.000 -10.571) 10.947 10.833 ( 2.843 0.000 -10.571) 10.947 11.129 ( -4.774 0.000 1.692) 5.065 11.129 ( 4.774 0.000 1.692) 5.065 11.308 ( -7.799 0.000 13.541) 15.627 11.308 ( 7.799 0.000 13.541) 15.627 12.195 ( -3.052 0.000 -15.971) 16.260 12.195 ( 3.052 0.000 -15.971) 16.260 12.436 ( -8.415 0.000 -1.357) 8.524 12.436 ( 8.415 0.000 -1.357) 8.524 12.743 ( -7.213 0.000 0.175) 7.215 12.743 ( 7.213 0.000 0.175) 7.215 12.776 ( -13.182 0.000 13.051) 18.550 12.776 ( 13.182 0.000 13.051) 18.550 13.050 ( -3.419 0.000 1.136) 3.603 13.050 ( 3.419 0.000 1.136) 3.603 13.168 ( -17.297 0.000 -3.045) 17.563 13.168 ( 17.297 0.000 -3.045) 17.563 13.517 ( -7.074 0.000 4.705) 8.496 13.517 ( 7.074 0.000 4.705) 8.496 14.336 ( -6.874 0.000 -7.667) 10.297 14.336 ( 6.874 0.000 -7.667) 10.297 15.555 ( -7.207 0.000 7.539) 10.430 15.555 ( 7.207 0.000 7.539) 10.430 15.665 ( -8.233 0.000 10.880) 13.643 15.665 ( 8.233 0.000 10.880) 13.643 16.067 ( -6.281 0.000 -7.463) 9.754 16.067 ( 6.281 0.000 -7.463) 9.754 16.408 ( -6.759 0.000 -16.001) 17.370 16.408 ( 6.759 0.000 -16.001) 17.370 17.162 ( -4.816 0.000 2.763) 5.552 17.162 ( 4.816 0.000 2.763) 5.552 17.585 ( -2.025 0.000 1.315) 2.414 17.585 ( 2.025 0.000 1.315) 2.414 17.961 ( -0.498 0.000 -0.320) 0.592 17.961 ( 0.498 0.000 -0.320) 0.592 18.126 ( -0.973 0.000 -1.658) 1.922 18.126 ( 0.973 0.000 -1.658) 1.922 18.339 ( -0.883 0.000 2.441) 2.596 18.339 ( 0.883 0.000 2.441) 2.596 19.626 ( -0.343 0.000 -0.197) 0.396 19.626 ( 0.343 0.000 -0.197) 0.396 20.114 ( -8.114 0.000 1.353) 8.226 20.114 ( 8.114 0.000 1.353) 8.226 20.772 ( -8.502 0.000 -2.264) 8.798 20.772 ( 8.502 0.000 -2.264) 8.798 20.821 ( -6.839 0.000 -2.835) 7.403 20.821 ( 6.839 0.000 -2.835) 7.403 22.559 ( -5.178 0.000 1.424) 5.370 22.559 ( 5.178 0.000 1.424) 5.370 23.745 ( -10.311 0.000 20.002) 22.503 23.745 ( 10.311 0.000 20.002) 22.503 25.025 ( -4.924 0.000 -24.917) 25.399 25.025 ( 4.924 0.000 -24.917) 25.399 25.815 ( -5.389 0.000 10.909) 12.167 25.815 ( 5.389 0.000 10.909) 12.167 26.343 ( -10.274 0.000 -10.342) 14.577 26.343 ( 10.274 0.000 -10.342) 14.577 26.737 ( -3.788 0.000 9.512) 10.239 26.737 ( 3.788 0.000 9.512) 10.239 27.177 ( -9.679 0.000 -0.520) 9.693 27.177 ( 9.679 0.000 -0.520) 9.693 27.613 ( -0.664 0.000 9.427) 9.450 27.613 ( 0.664 0.000 9.427) 9.450 27.918 ( -3.113 0.000 12.442) 12.825 27.918 ( 3.113 0.000 12.442) 12.825 27.979 ( -1.537 0.000 -6.459) 6.639 27.979 ( 1.537 0.000 -6.459) 6.639 28.093 ( -6.258 0.000 1.696) 6.483 28.093 ( 6.258 0.000 1.696) 6.483 28.768 ( -1.099 0.000 -0.641) 1.273 28.768 ( 1.099 0.000 -0.641) 1.273 28.951 ( -2.108 0.000 8.469) 8.727 28.951 ( 2.108 0.000 8.469) 8.727 28.997 ( -0.349 0.000 0.465) 0.581 28.997 ( 0.349 0.000 0.465) 0.581 29.320 ( -6.283 0.000 -0.752) 6.327 29.320 ( 6.283 0.000 -0.752) 6.327 29.628 ( -12.280 0.000 -11.648) 16.926 29.628 ( 12.280 0.000 -11.648) 16.926 29.729 ( -1.416 0.000 1.729) 2.235 29.729 ( 1.416 0.000 1.729) 2.235 29.865 ( -6.403 0.000 -11.162) 12.868 29.865 ( 6.403 0.000 -11.162) 12.868 30.119 ( -0.502 0.000 -2.629) 2.677 30.119 ( 0.502 0.000 -2.629) 2.677 31.605 ( -6.376 0.000 7.347) 9.727 31.605 ( 6.376 0.000 7.347) 9.727 31.650 ( -13.450 0.000 8.845) 16.098 31.650 ( 13.450 0.000 8.845) 16.098 32.311 ( -5.760 0.000 -3.635) 6.811 32.311 ( 5.760 0.000 -3.635) 6.811 32.462 ( -7.084 0.000 -10.625) 12.770 32.462 ( 7.084 0.000 -10.625) 12.770 33.273 ( -9.902 0.000 6.280) 11.726 33.273 ( 9.902 0.000 6.280) 11.726 33.379 ( -1.893 0.000 10.155) 10.330 33.379 ( 1.893 0.000 10.155) 10.330 33.491 ( -11.163 0.000 -4.704) 12.114 33.491 ( 11.163 0.000 -4.704) 12.114 34.783 ( -5.928 0.000 -10.613) 12.157 34.783 ( 5.928 0.000 -10.613) 12.157 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 14.502 42.239) 44.659 2.198 ( 0.000 43.619 28.720) 52.225 3.201 ( 0.000 20.592 35.613) 41.138 3.325 ( 0.000 29.231 -18.502) 34.595 3.562 ( 0.000 -9.507 -1.040) 9.564 3.602 ( 0.000 -8.900 -3.204) 9.459 3.614 ( 0.000 -0.442 25.514) 25.518 3.887 ( 0.000 3.257 11.490) 11.942 3.988 ( 0.000 -5.915 0.401) 5.928 4.134 ( 0.000 3.020 1.460) 3.355 4.216 ( 0.000 -5.673 -2.637) 6.256 4.299 ( 0.000 1.870 -4.451) 4.828 4.435 ( 0.000 -6.585 -7.065) 9.658 4.794 ( 0.000 13.291 5.728) 14.473 4.930 ( 0.000 0.459 -3.595) 3.624 5.123 ( 0.000 -1.400 -10.689) 10.780 5.146 ( 0.000 2.051 6.272) 6.599 5.218 ( 0.000 0.250 -3.412) 3.421 5.390 ( 0.000 16.441 -11.717) 20.189 5.419 ( 0.000 -0.203 -4.068) 4.073 5.475 ( 0.000 0.865 11.466) 11.499 5.514 ( 0.000 -10.752 19.931) 22.646 5.924 ( 0.000 -13.428 6.244) 14.809 5.929 ( 0.000 0.892 2.177) 2.353 5.975 ( 0.000 -9.240 4.918) 10.467 6.070 ( 0.000 11.375 -12.755) 17.091 6.140 ( 0.000 5.531 5.758) 7.984 6.146 ( 0.000 -6.950 -4.180) 8.110 6.479 ( 0.000 1.067 9.775) 9.833 6.566 ( 0.000 8.990 -11.006) 14.211 6.839 ( 0.000 -1.558 -17.989) 18.056 6.898 ( 0.000 -8.720 -3.638) 9.449 6.984 ( 0.000 1.408 -7.569) 7.699 7.120 ( 0.000 -11.597 -9.315) 14.875 7.257 ( 0.000 -2.176 14.756) 14.916 7.490 ( 0.000 -5.646 5.617) 7.965 7.534 ( 0.000 -7.652 -6.815) 10.247 7.870 ( 0.000 0.905 -19.026) 19.048 8.035 ( 0.000 -1.783 -3.080) 3.558 8.148 ( 0.000 -3.393 -7.278) 8.030 8.332 ( 0.000 5.879 -7.192) 9.290 8.482 ( 0.000 3.890 -1.943) 4.348 8.632 ( 0.000 -3.606 0.870) 3.710 8.806 ( 0.000 12.523 8.238) 14.989 8.875 ( 0.000 -16.056 -1.070) 16.092 9.246 ( 0.000 -6.061 0.941) 6.134 9.321 ( 0.000 -11.730 -13.494) 17.879 9.450 ( 0.000 -5.879 11.341) 12.774 9.455 ( 0.000 -7.311 -2.284) 7.659 9.866 ( 0.000 1.021 -10.964) 11.012 10.200 ( 0.000 8.732 12.810) 15.503 10.333 ( 0.000 -1.176 2.536) 2.795 10.411 ( 0.000 1.680 1.927) 2.557 10.515 ( 0.000 3.036 1.722) 3.491 10.718 ( 0.000 5.581 16.490) 17.409 11.039 ( 0.000 19.055 3.977) 19.466 11.274 ( 0.000 -10.924 9.161) 14.257 11.480 ( 0.000 -12.183 -3.541) 12.687 11.553 ( 0.000 12.872 -2.542) 13.121 11.681 ( 0.000 -6.131 8.987) 10.879 11.723 ( 0.000 -1.772 -7.568) 7.773 11.963 ( 0.000 -6.075 -2.803) 6.691 12.243 ( 0.000 1.260 -0.701) 1.442 12.500 ( 0.000 7.544 -8.051) 11.033 12.601 ( 0.000 -1.025 -2.884) 3.061 12.642 ( 0.000 -5.179 0.249) 5.185 12.812 ( 0.000 0.471 7.006) 7.022 12.883 ( 0.000 -7.026 13.268) 15.013 13.077 ( 0.000 2.354 4.881) 5.419 13.228 ( 0.000 11.161 -10.504) 15.327 13.452 ( 0.000 5.749 -11.387) 12.756 13.506 ( 0.000 8.975 -3.838) 9.762 13.689 ( 0.000 9.551 -4.079) 10.386 14.048 ( 0.000 8.239 -2.467) 8.600 14.284 ( 0.000 3.708 12.494) 13.033 14.613 ( 0.000 0.771 -7.443) 7.482 15.196 ( 0.000 -4.405 10.212) 11.122 15.349 ( 0.000 1.364 8.898) 9.002 15.665 ( 0.000 -2.629 -10.523) 10.846 15.937 ( 0.000 -11.790 1.845) 11.933 16.114 ( 0.000 3.578 3.688) 5.139 16.123 ( 0.000 3.153 -13.690) 14.048 16.218 ( 0.000 -6.803 -1.394) 6.945 16.462 ( 0.000 -6.887 -7.181) 9.950 17.014 ( 0.000 6.300 -2.205) 6.675 17.303 ( 0.000 -5.808 -12.850) 14.101 17.615 ( 0.000 5.520 3.291) 6.427 17.705 ( 0.000 -7.711 -0.673) 7.741 17.801 ( 0.000 -9.926 2.199) 10.166 17.873 ( 0.000 -7.845 -2.640) 8.278 18.049 ( 0.000 -8.053 0.338) 8.060 18.073 ( 0.000 2.408 -1.582) 2.881 18.307 ( 0.000 -5.737 1.366) 5.897 18.331 ( 0.000 -0.834 -0.053) 0.836 19.237 ( 0.000 -3.560 1.830) 4.003 19.260 ( 0.000 -14.030 0.069) 14.030 19.709 ( 0.000 4.181 9.380) 10.270 20.132 ( 0.000 9.152 -12.222) 15.269 20.740 ( 0.000 18.304 7.145) 19.649 21.238 ( 0.000 7.582 -16.320) 17.995 21.408 ( 0.000 6.078 4.045) 7.301 21.426 ( 0.000 9.506 1.174) 9.578 22.121 ( 0.000 -9.112 14.475) 17.105 22.485 ( 0.000 -13.642 -2.826) 13.932 23.738 ( 0.000 26.188 20.732) 33.401 24.331 ( 0.000 0.644 19.160) 19.171 24.686 ( 0.000 11.207 -24.270) 26.732 25.150 ( 0.000 -3.841 -21.509) 21.849 25.610 ( 0.000 0.976 2.923) 3.081 25.852 ( 0.000 -3.264 -9.076) 9.645 25.976 ( 0.000 -10.495 18.061) 20.888 26.497 ( 0.000 13.465 -1.235) 13.522 26.584 ( 0.000 9.991 -1.602) 10.119 26.687 ( 0.000 -5.615 -13.904) 14.995 27.220 ( 0.000 4.473 17.244) 17.815 27.498 ( 0.000 -4.004 7.900) 8.856 27.522 ( 0.000 2.983 7.967) 8.507 27.641 ( 0.000 1.758 -4.658) 4.979 27.665 ( 0.000 1.634 7.457) 7.634 27.856 ( 0.000 -0.948 -4.681) 4.776 27.883 ( 0.000 0.213 -0.717) 0.748 27.998 ( 0.000 2.337 -10.507) 10.763 28.309 ( 0.000 -3.408 5.128) 6.157 28.395 ( 0.000 -0.528 11.205) 11.217 28.469 ( 0.000 -2.588 -3.684) 4.502 28.670 ( 0.000 -3.990 -0.716) 4.054 28.731 ( 0.000 -8.753 2.920) 9.228 28.783 ( 0.000 -3.754 5.470) 6.635 28.842 ( 0.000 -6.344 1.105) 6.440 28.918 ( 0.000 0.321 -4.376) 4.387 28.950 ( 0.000 2.551 1.084) 2.772 29.056 ( 0.000 -1.284 -6.377) 6.505 29.488 ( 0.000 -3.975 1.401) 4.215 29.576 ( 0.000 -8.537 -6.440) 10.694 29.705 ( 0.000 -11.246 4.908) 12.271 29.837 ( 0.000 -1.218 -2.229) 2.540 29.928 ( 0.000 -4.617 6.159) 7.697 30.192 ( 0.000 -2.183 -4.573) 5.068 30.291 ( 0.000 -9.970 2.131) 10.195 30.330 ( 0.000 -3.480 0.352) 3.497 31.294 ( 0.000 12.215 20.323) 23.711 31.335 ( 0.000 1.244 2.415) 2.717 31.603 ( 0.000 -10.374 -6.979) 12.503 31.980 ( 0.000 -3.553 -8.182) 8.920 32.504 ( 0.000 0.662 3.388) 3.452 32.566 ( 0.000 0.380 -5.942) 5.954 32.815 ( 0.000 -1.424 -4.623) 4.838 32.851 ( 0.000 -2.630 -4.035) 4.816 33.041 ( 0.000 -2.387 -0.477) 2.434 33.066 ( 0.000 1.537 3.198) 3.548 33.212 ( 0.000 14.147 -1.700) 14.249 33.257 ( 0.000 9.134 0.984) 9.187 33.534 ( 0.000 -5.980 12.960) 14.273 34.019 ( 0.000 4.091 -11.608) 12.308 34.577 ( 0.000 5.539 4.130) 6.909 34.934 ( 0.000 14.202 -15.283) 20.863 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 6.354 29.638 33.679) 45.310 2.421 ( 16.439 22.199 33.852) 43.692 3.281 ( -0.395 15.357 -12.800) 19.995 3.425 ( 16.953 19.388 21.892) 33.802 3.630 ( 2.432 -7.318 -2.098) 7.992 3.674 ( 7.703 -3.940 7.250) 11.288 3.755 ( 5.784 0.385 1.108) 5.902 3.890 ( 0.368 1.593 8.689) 8.841 3.919 ( -4.088 -0.879 -1.133) 4.332 4.094 ( -2.420 -9.774 2.742) 10.435 4.272 ( 6.882 -0.034 4.396) 8.166 4.396 ( -2.015 -0.906 -3.240) 3.921 4.409 ( 9.131 4.792 0.245) 10.315 4.690 ( -5.765 7.821 6.327) 11.594 4.870 ( -6.285 1.027 -1.783) 6.613 5.043 ( -8.930 2.984 2.808) 9.825 5.066 ( -5.560 -2.112 -5.616) 8.180 5.278 ( 0.083 7.382 -2.235) 7.713 5.325 ( -2.701 -1.705 -3.656) 4.855 5.388 ( -0.562 -1.253 -3.042) 3.337 5.420 ( -4.236 5.209 5.121) 8.444 5.534 ( -0.891 1.591 5.756) 6.038 5.646 ( -9.329 -5.173 1.275) 10.744 5.801 ( -9.162 -1.502 4.206) 10.192 5.934 ( -9.234 -3.252 -0.623) 9.810 5.996 ( -6.364 0.574 -3.603) 7.336 6.224 ( 3.158 8.591 1.146) 9.224 6.314 ( 5.620 0.768 0.248) 5.678 6.495 ( 5.677 7.044 0.524) 9.062 6.652 ( 4.137 -4.343 4.723) 7.634 6.743 ( -4.124 -3.575 -3.962) 6.744 6.860 ( -0.174 -5.527 -5.175) 7.573 7.070 ( -2.002 -8.144 -2.854) 8.859 7.149 ( 6.410 -2.024 -6.962) 9.678 7.389 ( 2.804 -1.299 -1.278) 3.344 7.465 ( -1.972 -4.327 0.007) 4.755 7.562 ( 8.326 -9.251 -5.880) 13.765 7.784 ( -5.450 -0.843 -6.909) 8.840 7.993 ( 4.754 -1.515 -11.825) 12.834 8.295 ( 2.838 -2.138 3.498) 4.987 8.360 ( 4.300 1.056 -10.561) 11.452 8.524 ( 6.065 -0.599 -6.512) 8.920 8.607 ( -2.406 -7.997 6.315) 10.470 8.865 ( -1.826 -13.389 -3.586) 13.980 8.900 ( -1.936 3.924 7.555) 8.730 9.047 ( -9.705 -8.904 10.436) 16.804 9.197 ( -3.171 1.404 -1.419) 3.747 9.404 ( -3.226 11.404 -4.479) 12.670 9.664 ( 9.300 -19.415 -2.030) 21.623 9.981 ( 10.700 -0.795 -11.437) 15.682 10.247 ( 0.807 0.360 0.677) 1.113 10.332 ( 1.928 8.377 12.704) 15.339 10.422 ( -2.642 1.217 6.084) 6.744 10.499 ( -0.390 6.200 10.286) 12.017 10.666 ( 1.450 0.026 -5.425) 5.616 11.072 ( -0.098 13.141 -0.539) 13.152 11.222 ( -2.186 -3.592 16.909) 17.424 11.379 ( -6.110 -5.485 0.816) 8.251 11.495 ( -9.917 3.197 -6.464) 12.262 11.640 ( 1.435 5.649 -7.145) 9.221 11.830 ( 7.639 -7.682 1.923) 11.003 12.060 ( 5.581 -3.681 -6.051) 9.018 12.273 ( 5.203 -1.353 2.529) 5.941 12.543 ( -5.028 2.947 -2.073) 6.186 12.601 ( 6.762 6.484 -3.560) 10.023 12.611 ( -1.509 -8.294 0.835) 8.472 12.782 ( -3.346 2.775 5.171) 6.756 12.884 ( 2.406 -4.452 7.528) 9.071 13.083 ( -0.514 0.900 7.605) 7.676 13.196 ( -3.855 8.835 -11.188) 14.768 13.362 ( -9.276 10.575 -11.846) 18.391 13.459 ( 0.223 5.622 -1.101) 5.734 13.701 ( 0.186 10.444 -1.171) 10.511 13.995 ( -7.612 13.750 -2.481) 15.911 14.213 ( -3.682 -1.500 10.248) 10.992 14.571 ( -4.208 -0.869 -8.336) 9.378 15.231 ( 2.819 -6.088 9.133) 11.332 15.420 ( 6.415 2.076 9.713) 11.823 15.668 ( -0.651 -4.885 -7.792) 9.219 15.881 ( -4.646 -11.211 5.704) 13.409 16.043 ( -3.734 5.456 -1.198) 6.718 16.164 ( -2.315 -7.232 -5.336) 9.281 16.204 ( 2.886 2.401 -10.024) 10.703 16.494 ( 1.928 -5.207 -9.232) 10.773 17.031 ( 1.671 4.821 -0.484) 5.125 17.275 ( -2.231 -4.427 -9.094) 10.358 17.624 ( 0.605 4.332 3.624) 5.680 17.718 ( 0.730 -1.503 -0.420) 1.723 17.788 ( -0.325 -10.956 1.933) 11.130 17.881 ( 0.032 -7.762 -3.272) 8.423 18.022 ( -0.358 -5.300 1.438) 5.503 18.116 ( 2.093 -0.510 -2.964) 3.664 18.290 ( -1.581 -4.626 1.798) 5.209 18.316 ( -1.218 -2.139 0.217) 2.471 19.287 ( 3.144 -13.125 0.504) 13.505 19.314 ( 4.458 -11.051 -0.939) 11.953 19.793 ( 8.049 5.655 9.281) 13.524 20.182 ( 4.522 9.021 -10.712) 14.716 20.781 ( 3.649 18.984 4.755) 19.907 21.178 ( -7.560 7.187 -10.316) 14.670 21.257 ( -7.841 10.460 3.082) 13.431 21.390 ( -6.851 8.216 -1.521) 10.805 22.173 ( 4.393 -10.131 11.278) 15.784 22.461 ( -1.947 -14.395 -1.771) 14.634 23.755 ( 1.921 24.555 20.971) 32.349 24.239 ( -6.456 5.386 14.231) 16.530 24.812 ( 8.847 7.529 -20.265) 23.358 25.137 ( -1.211 -2.993 -21.471) 21.713 25.635 ( 2.105 0.716 3.489) 4.137 25.885 ( 1.659 -4.402 -2.527) 5.340 25.972 ( 1.027 -8.657 10.152) 13.382 26.534 ( 2.503 7.208 -2.345) 7.983 26.628 ( 4.381 9.174 -0.781) 10.197 26.647 ( -2.613 -0.582 -9.912) 10.267 27.200 ( -2.040 4.436 15.809) 16.546 27.511 ( -1.570 1.460 3.987) 4.527 27.550 ( 4.469 -3.303 8.503) 10.158 27.634 ( 0.037 1.423 1.089) 1.792 27.664 ( 0.190 1.689 7.684) 7.870 27.820 ( -1.684 -0.406 0.391) 1.775 27.912 ( 2.614 1.496 -1.733) 3.475 28.017 ( 1.267 3.581 -9.801) 10.512 28.270 ( -6.677 0.454 3.252) 7.440 28.314 ( -0.811 -3.557 1.373) 3.899 28.574 ( 4.717 -6.168 5.151) 9.318 28.689 ( 1.958 -5.860 -0.584) 6.206 28.712 ( -1.442 -7.784 7.876) 11.167 28.780 ( 4.604 -3.708 2.040) 6.254 28.892 ( 0.414 0.401 -0.854) 1.030 28.951 ( 1.137 0.522 1.885) 2.263 29.008 ( 6.222 0.450 -3.800) 7.305 29.166 ( 9.646 -5.522 -7.329) 13.313 29.445 ( -3.626 -4.729 0.984) 6.040 29.585 ( 0.782 -7.584 -7.015) 10.361 29.709 ( -0.319 -10.926 1.574) 11.044 29.808 ( -2.841 -2.081 -2.049) 4.074 29.887 ( -3.756 -4.295 5.530) 7.946 30.132 ( -5.944 -6.541 -5.053) 10.180 30.252 ( -1.439 1.395 1.185) 2.328 30.318 ( -1.879 -1.468 -1.576) 2.858 31.322 ( 2.593 7.299 12.687) 14.865 31.369 ( 3.756 3.757 10.531) 11.795 31.606 ( -0.305 -10.598 -6.148) 12.256 31.996 ( 0.887 -2.990 -8.360) 8.923 32.383 ( -7.956 2.426 3.328) 8.959 32.573 ( -3.894 2.117 -7.489) 8.702 32.725 ( -11.334 1.676 -1.722) 11.586 32.798 ( -4.766 0.331 -0.414) 4.795 32.946 ( 3.656 -5.633 -0.995) 6.789 32.984 ( -5.145 3.109 -3.582) 6.998 33.198 ( 1.216 -0.574 9.930) 10.021 33.407 ( 6.132 4.483 -1.345) 7.714 33.611 ( 4.143 4.933 9.603) 11.564 34.023 ( -0.491 9.814 -9.734) 13.831 34.578 ( 0.690 2.128 2.755) 3.549 34.940 ( -0.520 7.885 -16.283) 18.100 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 17.023 20.853 28.207) 38.991 2.829 ( 21.227 14.936 26.700) 37.236 3.272 ( -6.155 11.316 -7.602) 14.957 3.537 ( -12.057 -7.734 7.129) 16.000 3.586 ( -2.930 5.034 2.831) 6.476 3.708 ( -2.886 -5.376 -1.535) 6.292 3.826 ( -0.960 -1.413 7.634) 7.823 3.921 ( 11.092 -0.678 4.312) 11.920 3.957 ( 7.876 5.100 -8.388) 12.585 4.208 ( 6.402 -3.002 -9.902) 12.168 4.372 ( 1.333 2.659 -0.737) 3.064 4.440 ( 4.695 3.671 -1.343) 6.110 4.674 ( -2.648 0.834 3.916) 4.800 4.686 ( 15.715 6.279 12.507) 21.043 4.786 ( 6.749 -2.647 -0.348) 7.258 4.855 ( -7.048 6.728 -4.196) 10.609 4.929 ( -2.928 4.375 -0.420) 5.281 5.170 ( -9.626 -0.508 -2.700) 10.010 5.208 ( -6.117 3.470 7.665) 10.402 5.248 ( -11.339 7.676 -3.685) 14.180 5.303 ( -8.042 1.844 1.519) 8.389 5.460 ( -9.291 1.516 -4.924) 10.624 5.642 ( 6.389 4.719 6.032) 9.974 5.729 ( -0.265 -6.462 3.222) 7.225 5.824 ( 9.494 -7.397 -4.537) 12.862 5.933 ( -2.667 -1.122 1.868) 3.444 6.261 ( -2.210 10.124 3.305) 10.877 6.362 ( 0.182 4.364 9.484) 10.441 6.464 ( -3.666 7.081 2.791) 8.448 6.591 ( -11.760 -8.930 -6.842) 16.274 6.676 ( -4.771 3.352 13.473) 14.681 6.794 ( -8.118 -1.690 5.305) 9.844 7.115 ( 8.825 -8.453 -0.588) 12.234 7.220 ( 2.930 4.135 -16.513) 17.273 7.364 ( 1.392 0.825 -3.516) 3.870 7.552 ( 0.687 -3.792 -7.674) 8.587 7.773 ( 9.666 -10.967 -0.334) 14.623 7.848 ( 12.359 -3.680 -3.523) 13.368 8.098 ( 1.722 -6.452 -7.271) 9.872 8.289 ( -4.050 -1.964 -3.172) 5.507 8.384 ( 1.365 -9.092 2.950) 9.656 8.558 ( -3.047 -10.072 4.059) 11.279 8.647 ( -0.259 -7.956 -3.501) 8.696 8.702 ( -7.717 -12.996 9.662) 17.939 8.798 ( -1.279 -2.698 8.588) 9.093 8.945 ( -2.288 -3.279 2.483) 4.707 9.217 ( 1.788 4.287 -7.417) 8.751 9.368 ( -0.600 12.704 -4.405) 13.459 9.768 ( 2.627 -8.796 0.926) 9.226 10.093 ( -9.494 1.173 22.076) 24.059 10.255 ( 0.694 6.693 7.613) 10.160 10.373 ( 14.169 3.300 -26.774) 30.472 10.392 ( 0.536 1.558 1.998) 2.590 10.644 ( 8.608 -0.125 -1.570) 8.751 10.752 ( 4.588 -2.144 -8.520) 9.911 10.991 ( -4.186 -0.555 -0.134) 4.225 11.221 ( -8.337 -0.238 -4.107) 9.297 11.231 ( -7.690 -2.576 6.680) 10.507 11.360 ( 6.013 13.661 3.883) 15.423 11.632 ( -2.218 11.375 -8.408) 14.318 12.025 ( 10.135 -7.499 -4.166) 13.278 12.156 ( 4.076 -0.106 -9.585) 10.416 12.360 ( -3.329 -0.155 0.124) 3.335 12.457 ( 0.076 -5.053 0.561) 5.084 12.568 ( -1.119 -6.845 2.100) 7.247 12.714 ( -2.404 -5.001 10.495) 11.871 12.765 ( 6.223 4.643 0.385) 7.773 12.963 ( -1.802 2.098 -2.944) 4.039 13.020 ( 4.293 0.952 1.957) 4.813 13.123 ( -4.611 10.909 -8.790) 14.748 13.193 ( -3.159 11.591 4.461) 12.815 13.519 ( 3.233 9.384 -1.352) 10.017 13.658 ( -6.870 11.953 -0.276) 13.789 13.752 ( -10.608 11.489 4.401) 16.245 14.190 ( 1.343 -3.474 -0.757) 3.800 14.442 ( -7.773 -3.219 -8.958) 12.290 15.307 ( 4.578 -7.910 8.677) 12.602 15.561 ( 0.235 -5.174 3.326) 6.156 15.603 ( 0.927 -0.171 10.105) 10.149 15.838 ( 0.257 -7.303 -0.098) 7.308 15.943 ( -4.819 4.957 3.462) 7.731 16.074 ( -5.294 -8.864 -6.202) 12.044 16.311 ( 6.030 3.014 -15.445) 16.852 16.501 ( -1.645 -2.205 -13.455) 13.734 17.084 ( 3.363 2.302 2.540) 4.803 17.224 ( -2.670 -1.337 -2.787) 4.085 17.638 ( 0.904 3.333 4.530) 5.696 17.706 ( -1.681 3.649 1.682) 4.356 17.807 ( 1.601 -10.181 -0.726) 10.332 17.864 ( -1.325 -7.707 -3.379) 8.519 18.050 ( 2.705 -4.499 0.643) 5.289 18.143 ( 0.206 -0.121 -3.208) 3.217 18.254 ( -1.340 -5.808 2.129) 6.330 18.285 ( -1.664 -3.503 0.398) 3.899 19.347 ( 2.416 -16.232 -0.388) 16.416 19.381 ( 1.516 -14.888 -2.047) 15.104 20.015 ( 12.274 7.609 7.404) 16.228 20.288 ( 4.140 8.915 -7.201) 12.185 20.873 ( 3.872 18.499 2.629) 19.082 20.963 ( -8.050 8.188 2.658) 11.786 21.116 ( -8.575 13.066 -4.474) 16.256 21.191 ( -9.696 11.372 -3.600) 15.372 22.272 ( 4.726 -12.635 5.807) 14.687 22.417 ( -2.287 -15.605 -0.376) 15.776 23.828 ( 5.142 20.852 20.355) 29.590 24.102 ( -6.808 11.211 14.755) 19.742 24.970 ( 5.842 4.193 -21.232) 22.416 25.103 ( -1.938 -1.157 -21.758) 21.875 25.690 ( 3.223 -0.682 5.579) 6.479 25.853 ( -3.687 -5.572 11.089) 12.946 26.078 ( 8.062 -5.649 -7.574) 12.421 26.462 ( -8.191 -7.142 -12.346) 16.448 26.704 ( 6.654 9.727 5.194) 12.878 26.774 ( 8.284 9.425 3.180) 12.944 27.149 ( -1.742 4.274 10.686) 11.640 27.423 ( -7.476 2.743 -1.752) 8.154 27.621 ( 1.324 1.317 7.813) 8.033 27.640 ( 0.021 0.933 9.243) 9.290 27.732 ( 6.835 -2.919 9.547) 12.099 27.833 ( 3.236 -1.223 5.813) 6.764 27.979 ( 3.224 2.825 -2.971) 5.216 28.039 ( 0.745 4.529 -6.850) 8.246 28.135 ( -5.615 0.760 0.802) 5.723 28.237 ( -6.848 -2.173 4.358) 8.403 28.673 ( 4.998 -7.212 1.503) 8.902 28.729 ( 2.027 -5.725 2.937) 6.746 28.757 ( 3.967 -7.530 -0.008) 8.511 28.877 ( 2.561 2.441 2.811) 4.519 28.905 ( 2.442 -6.486 1.319) 7.055 28.963 ( 0.945 -1.264 6.269) 6.464 29.157 ( 6.579 -2.549 -5.279) 8.812 29.340 ( 4.103 -7.497 -4.043) 9.455 29.369 ( -1.665 -4.245 -1.482) 4.795 29.596 ( -0.131 -8.043 -8.662) 11.821 29.659 ( -4.262 -12.129 -4.657) 13.673 29.708 ( -7.276 -8.328 -1.837) 11.210 29.831 ( 0.844 3.595 3.506) 5.092 30.007 ( -5.122 0.082 -4.874) 7.071 30.236 ( -0.377 5.728 -2.245) 6.164 30.271 ( -2.052 3.512 -3.314) 5.247 31.392 ( 4.084 -2.068 6.619) 8.048 31.505 ( 8.640 6.716 12.672) 16.743 31.575 ( -2.140 -7.653 -0.592) 7.969 31.956 ( -6.480 2.185 -3.414) 7.644 32.245 ( -3.475 -0.552 3.128) 4.708 32.451 ( -8.801 -1.397 -8.097) 12.041 32.494 ( -4.437 6.306 -2.889) 8.235 32.682 ( -7.314 3.400 -9.018) 12.099 33.014 ( 5.569 -6.941 2.943) 9.373 33.047 ( 5.290 -6.686 1.431) 8.645 33.228 ( 1.388 -5.002 9.769) 11.063 33.420 ( -4.360 -2.532 0.834) 5.111 33.715 ( 6.267 18.163 5.925) 20.107 33.969 ( -4.635 17.879 -4.659) 19.048 34.628 ( 4.345 -2.488 -2.398) 5.551 34.880 ( -5.193 0.372 -14.204) 15.128 ======================= Grid point 108 (40/64) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -22.933 11.896 18.853) 31.983 2.881 ( 22.933 11.896 18.853) 31.983 3.250 ( -16.922 5.352 10.999) 20.880 3.250 ( 16.922 5.352 10.999) 20.880 3.621 ( -5.098 -3.834 0.289) 6.385 3.621 ( 5.098 -3.834 0.289) 6.385 3.930 ( -8.616 -1.406 0.687) 8.757 3.930 ( 8.616 -1.406 0.687) 8.757 4.165 ( -9.633 -1.710 -7.937) 12.598 4.165 ( 9.633 -1.710 -7.937) 12.598 4.429 ( -4.179 9.922 -11.287) 15.598 4.429 ( 4.179 9.922 -11.287) 15.598 4.667 ( -2.385 1.213 0.587) 2.739 4.667 ( 2.385 1.213 0.587) 2.739 4.963 ( -2.872 3.409 -5.276) 6.907 4.963 ( 2.872 3.409 -5.276) 6.907 5.038 ( -13.490 0.242 4.318) 14.167 5.038 ( 13.490 0.242 4.318) 14.167 5.101 ( -3.246 0.141 3.893) 5.071 5.101 ( 3.246 0.141 3.893) 5.071 5.219 ( -11.044 7.259 2.829) 13.515 5.219 ( 11.044 7.259 2.829) 13.515 5.801 ( -7.653 -1.453 7.285) 10.665 5.801 ( 7.653 -1.453 7.285) 10.665 5.902 ( -11.611 0.974 1.787) 11.788 5.902 ( 11.611 0.974 1.787) 11.788 6.220 ( -10.118 -3.427 -5.575) 12.050 6.220 ( 10.118 -3.427 -5.575) 12.050 6.501 ( -8.961 7.634 16.070) 19.920 6.501 ( 8.961 7.634 16.070) 19.920 6.606 ( -7.453 2.080 6.874) 10.350 6.606 ( 7.453 2.080 6.874) 10.350 7.260 ( -4.163 0.223 -14.447) 15.037 7.260 ( 4.163 0.223 -14.447) 15.037 7.448 ( -8.287 -2.853 -4.249) 9.740 7.448 ( 8.287 -2.853 -4.249) 9.740 7.979 ( -8.992 -5.819 4.995) 11.818 7.979 ( 8.992 -5.819 4.995) 11.818 8.143 ( -10.748 -8.167 -3.878) 14.045 8.143 ( 10.748 -8.167 -3.878) 14.045 8.451 ( -5.019 -9.249 1.646) 10.651 8.451 ( 5.019 -9.249 1.646) 10.651 8.626 ( -0.808 -12.415 6.987) 14.269 8.626 ( 0.808 -12.415 6.987) 14.269 8.864 ( -4.715 -5.102 1.224) 7.054 8.864 ( 4.715 -5.102 1.224) 7.054 9.303 ( -5.404 8.397 -8.492) 13.108 9.303 ( 5.404 8.397 -8.492) 13.108 9.876 ( -8.747 0.914 12.976) 15.676 9.876 ( 8.747 0.914 12.976) 15.676 10.320 ( -4.010 5.132 3.358) 7.328 10.320 ( 4.010 5.132 3.358) 7.328 10.694 ( -8.660 -1.660 -14.510) 16.979 10.694 ( 8.660 -1.660 -14.510) 16.979 10.848 ( -8.005 -1.190 -17.415) 19.203 10.848 ( 8.005 -1.190 -17.415) 19.203 11.126 ( -1.910 -1.857 11.855) 12.151 11.126 ( 1.910 -1.857 11.855) 12.151 11.532 ( -7.577 14.863 -2.301) 16.841 11.532 ( 7.577 14.863 -2.301) 16.841 12.192 ( -4.875 1.571 -10.906) 12.049 12.192 ( 4.875 1.571 -10.906) 12.049 12.341 ( -8.378 -7.659 -2.347) 11.591 12.341 ( 8.378 -7.659 -2.347) 11.591 12.632 ( -5.015 -8.464 10.122) 14.115 12.632 ( 5.015 -8.464 10.122) 14.115 12.874 ( -4.253 0.902 0.591) 4.388 12.874 ( 4.253 0.902 0.591) 4.388 13.094 ( -2.172 10.400 -1.743) 10.766 13.094 ( 2.172 10.400 -1.743) 10.766 13.326 ( -15.731 11.320 1.822) 19.466 13.326 ( 15.731 11.320 1.822) 19.466 13.638 ( -4.405 11.189 3.307) 12.471 13.638 ( 4.405 11.189 3.307) 12.471 14.279 ( -6.976 -4.601 -7.340) 11.123 14.279 ( 6.976 -4.601 -7.340) 11.123 15.425 ( -6.842 -9.137 7.202) 13.497 15.425 ( 6.842 -9.137 7.202) 13.497 15.752 ( -7.488 3.528 9.451) 12.563 15.752 ( 7.488 3.528 9.451) 12.563 15.961 ( -5.013 -6.414 -5.871) 10.036 15.961 ( 5.013 -6.414 -5.871) 10.036 16.429 ( -4.983 0.614 -15.473) 16.267 16.429 ( 4.983 0.614 -15.473) 16.267 17.159 ( -3.609 0.817 1.880) 4.150 17.159 ( 3.609 0.817 1.880) 4.150 17.667 ( -1.850 3.424 3.609) 5.307 17.667 ( 1.850 3.424 3.609) 5.307 17.837 ( -1.293 -8.138 -2.556) 8.627 17.837 ( 1.293 -8.138 -2.556) 8.627 18.113 ( -2.832 -2.096 -1.137) 3.702 18.113 ( 2.832 -2.096 -1.137) 3.702 18.254 ( -1.160 -5.277 0.829) 5.466 18.254 ( 1.160 -5.277 0.829) 5.466 19.383 ( -1.000 -16.536 -1.541) 16.638 19.383 ( 1.000 -16.536 -1.541) 16.638 20.251 ( -8.604 8.790 1.707) 12.417 20.251 ( 8.604 8.790 1.707) 12.417 20.901 ( -6.122 8.566 0.793) 10.558 20.901 ( 6.122 8.566 0.793) 10.558 21.036 ( -5.983 18.308 -3.034) 19.499 21.036 ( 5.983 18.308 -3.034) 19.499 22.359 ( -3.483 -15.050 1.753) 15.546 22.359 ( 3.483 -15.050 1.753) 15.546 23.957 ( -6.974 16.407 17.944) 25.295 23.957 ( 6.974 16.407 17.944) 25.295 25.056 ( -2.845 1.315 -22.251) 22.470 25.056 ( 2.845 1.315 -22.251) 22.470 25.767 ( -4.143 -3.063 8.826) 10.220 25.767 ( 4.143 -3.063 8.826) 10.220 26.268 ( -9.786 -6.381 -10.905) 15.981 26.268 ( 9.786 -6.381 -10.905) 15.981 26.833 ( -3.870 8.412 9.273) 13.105 26.833 ( 3.870 8.412 9.273) 13.105 27.227 ( -9.456 4.334 -0.429) 10.411 27.227 ( 9.456 4.334 -0.429) 10.411 27.635 ( -0.414 1.754 9.545) 9.714 27.635 ( 0.414 1.754 9.545) 9.714 27.861 ( -3.759 -3.857 9.195) 10.656 27.861 ( 3.759 -3.857 9.195) 10.656 28.050 ( -2.614 4.352 -1.955) 5.440 28.050 ( 2.614 4.352 -1.955) 5.440 28.082 ( -3.961 0.026 0.556) 4.000 28.082 ( 3.961 0.026 0.556) 4.000 28.741 ( -1.251 -3.592 0.518) 3.839 28.741 ( 1.251 -3.592 0.518) 3.839 28.848 ( -4.113 -7.447 -2.225) 8.793 28.848 ( 4.113 -7.447 -2.225) 8.793 28.976 ( -1.913 -2.807 8.617) 9.262 28.976 ( 1.913 -2.807 8.617) 9.262 29.259 ( -5.427 -5.316 -0.997) 7.662 29.259 ( 5.427 -5.316 -0.997) 7.662 29.500 ( -9.243 -7.472 -7.680) 14.151 29.500 ( 9.243 -7.472 -7.680) 14.151 29.612 ( -1.097 -9.650 -4.863) 10.862 29.612 ( 1.097 -9.650 -4.863) 10.862 29.907 ( -4.914 4.150 -1.996) 6.734 29.907 ( 4.914 4.150 -1.996) 6.734 30.241 ( -0.888 5.813 -3.970) 7.096 30.241 ( 0.888 5.813 -3.970) 7.096 31.484 ( -4.516 -6.210 3.936) 8.629 31.484 ( 4.516 -6.210 3.936) 8.629 31.746 ( -11.973 7.180 7.080) 15.653 31.746 ( 11.973 7.180 7.080) 15.653 32.272 ( -5.790 -2.913 -2.728) 7.032 32.272 ( 5.790 -2.913 -2.728) 7.032 32.538 ( -5.762 5.085 -9.537) 12.248 32.538 ( 5.762 5.085 -9.537) 12.248 33.104 ( -1.561 -11.084 4.886) 12.213 33.104 ( 1.561 -11.084 4.886) 12.213 33.294 ( -6.020 -1.789 4.265) 7.592 33.294 ( 6.020 -1.789 4.265) 7.592 33.850 ( -6.452 20.323 0.874) 21.341 33.850 ( 6.452 20.323 0.874) 21.341 34.748 ( -6.770 -2.802 -8.934) 11.554 34.748 ( 6.770 -2.802 -8.934) 11.554 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 0.000 22.664 34.527) 41.301 3.022 ( 0.000 30.519 27.407) 41.019 3.330 ( 0.000 -7.139 7.264) 10.185 3.389 ( 0.000 -8.118 -4.836) 9.449 3.459 ( 0.000 -6.816 22.831) 23.826 3.621 ( 0.000 1.888 1.493) 2.407 3.710 ( 0.000 -3.132 2.372) 3.929 4.060 ( 0.000 7.437 -2.184) 7.751 4.143 ( 0.000 12.523 3.029) 12.885 4.255 ( 0.000 10.449 -10.627) 14.904 4.285 ( 0.000 2.337 -5.620) 6.086 4.415 ( 0.000 6.325 -1.190) 6.436 4.430 ( 0.000 30.068 15.219) 33.700 4.751 ( 0.000 -10.073 0.051) 10.073 4.979 ( 0.000 2.526 8.374) 8.747 5.036 ( 0.000 -15.671 -1.369) 15.730 5.166 ( 0.000 -2.240 3.612) 4.250 5.225 ( 0.000 5.317 1.698) 5.581 5.371 ( 0.000 -1.273 3.672) 3.886 5.464 ( 0.000 6.353 1.651) 6.564 5.472 ( 0.000 -1.199 6.580) 6.688 5.617 ( 0.000 -6.463 5.168) 8.276 5.738 ( 0.000 6.330 4.755) 7.916 5.788 ( 0.000 -0.290 0.196) 0.351 5.958 ( 0.000 0.666 5.747) 5.786 6.075 ( 0.000 -0.780 -5.759) 5.812 6.156 ( 0.000 -1.434 -5.621) 5.801 6.261 ( 0.000 -0.235 -6.947) 6.951 6.571 ( 0.000 2.752 -11.168) 11.502 6.629 ( 0.000 -6.545 -18.999) 20.095 6.691 ( 0.000 -8.990 1.127) 9.061 6.811 ( 0.000 -9.340 -8.743) 12.794 6.964 ( 0.000 9.133 -0.652) 9.156 7.031 ( 0.000 0.677 -0.877) 1.108 7.142 ( 0.000 1.585 2.554) 3.006 7.473 ( 0.000 2.061 7.548) 7.824 7.518 ( 0.000 4.273 3.132) 5.298 7.899 ( 0.000 4.033 -20.008) 20.410 7.960 ( 0.000 -9.472 0.739) 9.501 7.996 ( 0.000 -1.382 5.104) 5.288 8.327 ( 0.000 -15.170 -8.505) 17.391 8.381 ( 0.000 -10.711 -7.341) 12.985 8.446 ( 0.000 -12.162 -0.565) 12.175 8.495 ( 0.000 -17.187 -4.888) 17.868 8.825 ( 0.000 -14.668 -3.134) 14.999 8.969 ( 0.000 -10.804 -6.205) 12.459 9.243 ( 0.000 23.745 1.242) 23.777 9.514 ( 0.000 6.441 -3.537) 7.348 9.603 ( 0.000 9.764 6.084) 11.505 10.011 ( 0.000 4.541 -7.137) 8.459 10.228 ( 0.000 -6.225 -2.576) 6.737 10.363 ( 0.000 3.228 -0.351) 3.247 10.512 ( 0.000 7.209 2.793) 7.731 10.570 ( 0.000 1.596 2.797) 3.220 10.858 ( 0.000 5.640 24.641) 25.278 10.998 ( 0.000 -12.830 10.869) 16.815 11.221 ( 0.000 -4.299 6.766) 8.016 11.459 ( 0.000 14.779 -3.312) 15.146 11.584 ( 0.000 -3.073 9.465) 9.952 11.696 ( 0.000 -2.245 -5.908) 6.320 11.823 ( 0.000 11.822 4.876) 12.788 11.846 ( 0.000 -4.254 0.139) 4.256 12.283 ( 0.000 4.559 -3.502) 5.749 12.392 ( 0.000 -15.631 6.313) 16.858 12.485 ( 0.000 -6.538 -2.646) 7.053 12.582 ( 0.000 -3.761 2.793) 4.685 12.713 ( 0.000 6.125 -11.391) 12.933 13.118 ( 0.000 10.406 11.462) 15.481 13.129 ( 0.000 -6.550 -5.003) 8.242 13.188 ( 0.000 -1.907 -7.286) 7.532 13.643 ( 0.000 10.707 -13.229) 17.019 13.773 ( 0.000 11.588 -17.571) 21.048 13.967 ( 0.000 11.550 6.902) 13.455 14.107 ( 0.000 1.170 4.362) 4.516 14.525 ( 0.000 13.333 7.691) 15.393 14.673 ( 0.000 4.651 -1.616) 4.924 15.097 ( 0.000 -3.363 8.563) 9.200 15.285 ( 0.000 -7.246 2.672) 7.723 15.591 ( 0.000 -5.786 -1.239) 5.917 15.633 ( 0.000 -13.591 4.317) 14.260 16.102 ( 0.000 1.308 -8.482) 8.582 16.205 ( 0.000 2.895 -15.704) 15.968 16.254 ( 0.000 6.127 0.855) 6.187 16.360 ( 0.000 -1.788 -1.403) 2.273 17.088 ( 0.000 -0.756 -4.360) 4.425 17.200 ( 0.000 -4.282 -6.269) 7.592 17.324 ( 0.000 -16.590 1.142) 16.629 17.467 ( 0.000 -14.359 -4.441) 15.030 17.672 ( 0.000 -4.591 2.308) 5.138 17.744 ( 0.000 -7.566 -1.193) 7.660 18.022 ( 0.000 6.684 5.142) 8.433 18.187 ( 0.000 2.767 -2.470) 3.710 18.267 ( 0.000 3.972 2.688) 4.796 18.389 ( 0.000 8.646 -5.808) 10.415 18.916 ( 0.000 -17.291 0.808) 17.310 19.026 ( 0.000 -14.062 -4.806) 14.861 19.940 ( 0.000 14.445 10.173) 17.668 20.271 ( 0.000 2.725 -6.051) 6.637 21.219 ( 0.000 23.881 3.734) 24.171 21.427 ( 0.000 1.416 1.411) 1.999 21.510 ( 0.000 11.219 -3.407) 11.725 21.546 ( 0.000 -0.139 0.152) 0.206 21.939 ( 0.000 -6.117 10.749) 12.368 22.185 ( 0.000 -15.086 -2.561) 15.302 24.316 ( 0.000 17.507 19.855) 26.471 24.405 ( 0.000 15.368 9.893) 18.277 24.726 ( 0.000 -8.741 -6.457) 10.867 25.205 ( 0.000 4.460 -20.081) 20.570 25.682 ( 0.000 6.823 -3.750) 7.786 25.716 ( 0.000 -9.089 12.705) 15.622 25.771 ( 0.000 -3.886 -8.155) 9.033 26.394 ( 0.000 -15.505 -16.994) 23.005 26.851 ( 0.000 13.489 2.526) 13.724 26.918 ( 0.000 17.191 -2.690) 17.401 27.339 ( 0.000 6.044 14.659) 15.856 27.389 ( 0.000 -5.664 6.331) 8.495 27.556 ( 0.000 -2.534 2.270) 3.402 27.644 ( 0.000 -2.965 3.011) 4.226 27.709 ( 0.000 4.023 5.767) 7.031 27.878 ( 0.000 3.532 3.339) 4.861 27.883 ( 0.000 0.505 0.008) 0.505 28.022 ( 0.000 -2.243 -0.296) 2.263 28.232 ( 0.000 -0.501 3.725) 3.758 28.389 ( 0.000 -4.693 -3.163) 5.659 28.394 ( 0.000 0.543 5.963) 5.987 28.521 ( 0.000 -8.711 3.206) 9.283 28.547 ( 0.000 -6.777 -0.106) 6.778 28.643 ( 0.000 -10.316 -2.231) 10.554 28.801 ( 0.000 5.221 5.054) 7.266 28.926 ( 0.000 0.204 -1.453) 1.468 29.037 ( 0.000 5.937 -1.092) 6.037 29.094 ( 0.000 4.153 -6.006) 7.302 29.379 ( 0.000 -5.358 3.575) 6.442 29.424 ( 0.000 -4.310 -0.537) 4.343 29.574 ( 0.000 -0.156 -2.171) 2.177 29.692 ( 0.000 -12.002 -5.352) 13.141 29.769 ( 0.000 -11.732 5.349) 12.894 29.932 ( 0.000 -13.774 -1.142) 13.821 30.217 ( 0.000 -2.727 0.492) 2.771 30.244 ( 0.000 -1.099 -0.823) 1.374 31.450 ( 0.000 0.549 -0.949) 1.097 31.464 ( 0.000 7.124 -5.746) 9.152 31.587 ( 0.000 10.864 12.889) 16.857 31.873 ( 0.000 -5.477 2.801) 6.151 32.511 ( 0.000 -0.144 -2.244) 2.249 32.590 ( 0.000 -1.541 -3.441) 3.770 32.816 ( 0.000 0.486 -6.112) 6.131 32.838 ( 0.000 1.800 -3.896) 4.292 32.978 ( 0.000 -1.928 3.173) 3.713 33.044 ( 0.000 -2.775 3.263) 4.284 33.409 ( 0.000 4.112 0.031) 4.112 33.421 ( 0.000 5.252 -0.464) 5.272 33.567 ( 0.000 8.650 4.569) 9.783 33.970 ( 0.000 -7.430 -12.122) 14.218 34.802 ( 0.000 12.893 4.225) 13.568 35.111 ( 0.000 1.877 -11.813) 11.961 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 8.456 21.642 30.682) 38.488 3.034 ( 2.372 23.296 22.490) 32.467 3.366 ( 2.363 -0.612 -0.358) 2.467 3.425 ( 3.724 -7.149 3.792) 8.909 3.572 ( 5.016 -7.480 7.482) 11.708 3.687 ( 9.261 -0.102 12.255) 15.361 3.772 ( 3.953 -5.637 1.288) 7.004 3.977 ( -6.194 6.858 -5.661) 10.836 4.075 ( -8.200 8.860 4.242) 12.796 4.210 ( -3.624 18.543 -4.788) 19.492 4.288 ( 3.212 -2.046 -3.310) 5.046 4.410 ( 2.642 6.770 0.945) 7.328 4.583 ( 7.994 11.826 6.617) 15.734 4.721 ( -2.411 -5.700 11.025) 12.643 4.802 ( -3.271 1.672 -6.104) 7.124 5.067 ( -4.861 -3.565 2.756) 6.629 5.088 ( -7.979 1.315 4.064) 9.050 5.263 ( 4.014 -4.452 0.421) 6.009 5.344 ( -1.669 0.466 -3.649) 4.040 5.410 ( -0.393 6.388 7.649) 9.973 5.523 ( -8.554 -1.381 -2.078) 8.911 5.558 ( 3.798 3.306 7.135) 8.733 5.721 ( -3.079 1.955 -0.661) 3.706 5.753 ( 2.336 9.022 8.739) 12.776 5.880 ( -12.676 0.305 2.067) 12.847 5.981 ( -7.203 -2.619 1.348) 7.782 6.289 ( 4.113 -1.400 -4.794) 6.470 6.337 ( 11.094 -1.841 -0.152) 11.247 6.541 ( -5.912 -4.857 -4.192) 8.724 6.585 ( 2.673 1.736 -13.263) 13.641 6.767 ( 6.356 -4.658 -8.049) 11.264 6.859 ( 3.699 -7.828 -8.921) 12.432 6.968 ( -4.941 13.560 2.430) 14.635 6.998 ( 1.341 -7.145 1.181) 7.365 7.198 ( 4.408 -8.138 5.040) 10.539 7.501 ( -0.804 7.486 -1.656) 7.709 7.525 ( 4.338 6.617 3.940) 8.839 7.815 ( -0.687 -2.928 -8.943) 9.436 7.977 ( 0.856 0.679 -4.930) 5.050 8.104 ( 1.040 -12.281 2.221) 12.523 8.215 ( -5.866 -12.810 -7.228) 15.835 8.363 ( 3.659 -13.063 -6.920) 15.229 8.423 ( -2.778 -9.581 -1.195) 10.047 8.585 ( 0.140 -12.947 -6.514) 14.494 8.714 ( -4.431 -6.977 3.371) 8.926 8.991 ( -3.009 -10.793 -6.525) 12.966 9.249 ( 0.231 9.519 3.324) 10.085 9.490 ( -4.117 10.252 -6.596) 12.867 9.728 ( 13.094 7.366 3.625) 15.455 10.021 ( 1.857 3.007 -0.231) 3.542 10.252 ( 4.533 1.631 -7.295) 8.742 10.435 ( 0.673 1.187 -0.171) 1.375 10.549 ( 7.027 1.816 0.388) 7.268 10.591 ( 2.112 3.905 0.363) 4.454 10.736 ( -7.640 6.833 20.030) 22.501 11.033 ( -9.057 0.055 16.055) 18.434 11.112 ( 2.902 -12.827 3.296) 13.558 11.432 ( -5.495 5.663 1.277) 7.994 11.560 ( -1.873 3.218 4.306) 5.692 11.705 ( 4.784 -2.870 -3.237) 6.449 11.871 ( -0.161 11.334 -3.471) 11.855 12.010 ( 10.279 0.406 -4.185) 11.106 12.204 ( -0.642 -8.536 6.622) 10.822 12.357 ( -0.371 -6.336 -0.729) 6.389 12.434 ( -2.174 -4.886 -5.945) 7.997 12.640 ( -0.426 -8.668 -5.444) 10.244 12.846 ( 5.846 2.669 -0.105) 6.427 13.007 ( -0.558 6.705 8.547) 10.877 13.105 ( -6.072 2.691 -2.951) 7.267 13.295 ( 8.153 3.120 -2.171) 8.996 13.585 ( -4.525 8.890 -10.587) 14.546 13.690 ( -4.966 12.010 -11.798) 17.553 13.974 ( -0.326 11.473 4.327) 12.266 14.136 ( 0.928 1.110 -0.774) 1.641 14.383 ( -12.356 14.109 8.237) 20.483 14.596 ( -7.056 3.332 -2.578) 8.218 15.109 ( 1.195 -3.679 7.899) 8.795 15.340 ( 4.270 -8.823 0.763) 9.832 15.536 ( -4.663 -9.114 4.867) 11.336 15.629 ( -0.196 -10.985 1.997) 11.166 16.056 ( -3.302 2.206 -7.449) 8.442 16.191 ( -1.779 7.045 -5.070) 8.860 16.267 ( 1.789 1.507 -8.725) 9.033 16.407 ( 3.022 -2.302 -4.224) 5.681 17.085 ( 0.444 -0.539 -1.735) 1.870 17.205 ( 0.721 -2.721 -4.453) 5.268 17.378 ( 4.025 -15.013 0.897) 15.569 17.495 ( 1.995 -13.988 -3.667) 14.598 17.693 ( 1.790 -4.420 2.286) 5.289 17.772 ( 2.524 -5.729 -1.296) 6.394 18.003 ( -1.749 4.741 4.726) 6.919 18.162 ( -1.918 0.905 -2.983) 3.660 18.264 ( -0.451 4.774 2.042) 5.212 18.375 ( -1.289 9.793 -5.558) 11.334 18.935 ( 1.600 -17.700 0.152) 17.773 19.035 ( 0.568 -15.158 -5.057) 15.990 20.025 ( 7.896 13.850 9.729) 18.677 20.329 ( 5.459 3.613 -5.410) 8.492 21.246 ( 1.712 20.733 2.088) 20.908 21.311 ( -9.953 2.657 4.591) 11.278 21.487 ( -5.450 1.039 0.443) 5.566 21.510 ( -0.094 13.225 -3.987) 13.813 21.962 ( 1.820 -7.823 8.008) 11.342 22.156 ( -2.487 -14.358 -2.315) 14.754 24.289 ( -1.401 17.979 18.232) 25.644 24.404 ( -0.171 15.919 9.990) 18.795 24.782 ( 4.372 -10.220 -5.466) 12.387 25.178 ( -2.760 1.092 -17.301) 17.554 25.700 ( 1.392 4.871 -2.930) 5.852 25.740 ( 2.170 -3.524 8.141) 9.132 25.822 ( 4.555 -4.427 -8.330) 10.476 26.361 ( -3.314 -14.281 -16.429) 22.019 26.880 ( 2.736 13.044 3.240) 13.716 26.942 ( 2.811 16.785 -1.336) 17.071 27.319 ( -1.763 5.577 12.652) 13.938 27.436 ( 2.537 -4.518 6.896) 8.626 27.515 ( -0.006 -4.226 3.092) 5.236 27.665 ( 0.786 -1.638 4.862) 5.190 27.697 ( -1.037 3.878 7.348) 8.373 27.840 ( -1.147 1.790 7.268) 7.573 27.957 ( 4.635 3.446 -1.586) 5.989 28.089 ( 4.935 -0.209 -4.555) 6.719 28.209 ( -2.357 -1.362 1.190) 2.971 28.314 ( -4.093 1.974 -2.695) 5.283 28.424 ( -0.159 -6.594 7.674) 10.119 28.496 ( 0.543 -9.693 3.594) 10.352 28.549 ( 0.480 -6.066 1.073) 6.179 28.669 ( 2.844 -7.530 -0.157) 8.050 28.939 ( 7.401 2.105 -0.565) 7.715 28.956 ( 1.689 0.258 1.147) 2.058 29.020 ( -0.255 2.895 -0.011) 2.906 29.117 ( 2.599 1.698 -7.515) 8.131 29.333 ( -3.211 -4.776 1.529) 5.954 29.440 ( 0.557 -5.108 0.477) 5.161 29.533 ( -4.341 -6.571 -3.769) 8.731 29.632 ( -4.068 -8.881 -3.247) 10.294 29.816 ( 3.390 -5.130 3.576) 7.113 29.959 ( 2.525 -9.712 -1.663) 10.171 30.213 ( -0.168 -3.119 0.957) 3.267 30.254 ( 0.655 -1.949 -1.228) 2.395 31.432 ( -0.328 3.867 -1.716) 4.243 31.500 ( 2.031 4.573 -5.593) 7.505 31.617 ( 3.153 11.031 13.088) 17.405 31.888 ( 1.189 -5.865 1.967) 6.299 32.445 ( -5.535 1.737 -1.807) 6.077 32.583 ( -2.812 -3.820 -3.524) 5.910 32.742 ( -5.350 0.345 0.090) 5.362 32.825 ( -10.263 3.999 -1.072) 11.066 32.885 ( 1.334 0.312 -2.247) 2.632 33.029 ( -1.850 -0.256 0.862) 2.057 33.180 ( -10.035 0.370 -0.052) 10.042 33.366 ( -2.843 -4.936 -2.758) 6.329 33.824 ( 13.496 10.617 4.485) 17.748 34.109 ( 10.211 -1.832 -9.272) 13.914 34.738 ( -5.716 11.365 4.490) 13.491 35.042 ( -6.375 0.546 -11.107) 12.819 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 8.068 17.355 23.364) 30.202 3.175 ( 9.391 9.018 14.858) 19.755 3.400 ( -5.862 0.940 11.900) 13.299 3.459 ( 2.678 5.163 -1.415) 5.986 3.547 ( -6.015 -4.738 -0.265) 7.662 3.722 ( -6.061 4.715 -0.781) 7.718 3.838 ( -2.156 -0.786 4.353) 4.921 3.923 ( 6.859 4.551 4.839) 9.549 4.047 ( 8.534 -6.136 -5.722) 11.967 4.232 ( 0.523 11.306 -6.836) 13.222 4.379 ( -2.384 -5.423 -0.415) 5.939 4.453 ( 10.706 -0.874 2.846) 11.113 4.640 ( -5.649 -5.710 -0.973) 8.091 4.668 ( 2.047 -0.749 5.316) 5.745 4.886 ( 1.509 2.979 -8.426) 9.064 4.946 ( -3.133 3.338 6.582) 8.018 5.036 ( 4.965 4.372 3.220) 7.358 5.267 ( -6.129 12.062 1.737) 13.641 5.277 ( -1.674 3.621 -2.716) 4.826 5.332 ( -4.546 0.290 -4.198) 6.195 5.436 ( -5.697 6.899 5.320) 10.409 5.595 ( -8.891 3.171 -0.644) 9.462 5.631 ( 3.073 0.279 5.951) 6.703 5.668 ( 2.833 -0.303 6.285) 6.901 5.828 ( 3.782 5.589 9.451) 11.613 5.897 ( 0.903 2.197 2.576) 3.504 6.249 ( -7.069 -4.512 1.511) 8.521 6.425 ( -8.386 -5.748 -6.254) 11.937 6.541 ( 7.319 6.342 -0.907) 9.726 6.612 ( -1.552 2.581 -0.391) 3.037 6.774 ( -2.566 -4.066 2.729) 5.529 6.854 ( -3.656 5.172 11.164) 12.836 6.984 ( 8.059 6.335 3.756) 10.918 7.160 ( 9.333 -9.109 -12.127) 17.808 7.300 ( 5.367 -4.076 1.717) 6.955 7.523 ( 2.537 1.187 -2.548) 3.786 7.576 ( 1.096 3.044 -0.571) 3.285 7.877 ( 4.647 -1.803 -13.785) 14.659 8.019 ( 3.575 -11.881 3.855) 12.993 8.066 ( -8.972 -5.376 -6.750) 12.448 8.094 ( -0.599 -16.081 2.278) 16.253 8.328 ( -6.007 -8.040 2.156) 10.265 8.397 ( -2.291 -13.127 4.215) 13.976 8.515 ( -4.545 -7.899 -1.910) 9.311 8.697 ( 2.007 -2.061 -0.995) 3.044 8.923 ( -1.616 1.258 -9.493) 9.712 9.214 ( -2.635 -4.103 -5.693) 7.496 9.383 ( -5.374 -3.089 -11.517) 13.079 9.976 ( 8.394 16.911 7.326) 20.251 10.131 ( 6.057 2.316 9.901) 11.835 10.392 ( -0.414 1.604 4.843) 5.119 10.406 ( 4.939 3.876 2.068) 6.610 10.601 ( -0.266 6.897 -1.599) 7.085 10.652 ( 3.315 5.863 -6.753) 9.537 10.737 ( 5.423 2.979 -5.501) 8.279 10.887 ( -0.705 -6.315 8.411) 10.541 11.129 ( -3.559 -5.811 14.633) 16.142 11.309 ( -11.324 9.100 -6.316) 15.841 11.490 ( 3.511 -3.842 -3.821) 6.457 11.767 ( 0.521 -0.092 -8.945) 8.961 11.950 ( 8.607 -2.334 1.217) 9.000 12.146 ( 1.943 -2.519 -8.275) 8.865 12.315 ( 2.809 -6.461 7.559) 10.333 12.336 ( 0.083 -7.782 -1.953) 8.024 12.367 ( -2.317 1.182 -5.294) 5.899 12.631 ( -0.480 -1.987 -4.208) 4.678 12.797 ( -4.691 -0.949 8.497) 9.752 12.924 ( -4.963 -2.582 4.915) 7.447 13.234 ( 12.021 13.317 -1.593) 18.011 13.398 ( 0.108 12.518 -4.311) 13.240 13.481 ( -2.481 10.664 -3.726) 11.565 13.677 ( 1.857 4.069 -5.497) 7.087 13.950 ( -1.484 12.616 1.396) 12.779 14.070 ( -10.529 13.895 0.662) 17.446 14.141 ( -3.855 1.572 3.376) 5.360 14.408 ( -10.434 0.865 -3.971) 11.197 15.151 ( 2.973 -4.459 6.990) 8.808 15.352 ( -5.006 -8.764 0.834) 10.128 15.502 ( 3.374 -12.295 4.906) 13.661 15.626 ( -0.495 -13.293 1.726) 13.414 16.007 ( -0.699 6.931 -3.667) 7.872 16.128 ( -4.038 9.527 2.177) 10.574 16.328 ( 3.650 -2.071 -13.256) 13.904 16.440 ( -0.232 -3.321 -8.688) 9.304 17.125 ( 3.286 1.128 1.683) 3.860 17.223 ( 0.378 0.174 -1.277) 1.343 17.452 ( 2.863 -13.409 1.443) 13.787 17.521 ( 0.135 -13.155 -1.616) 13.254 17.737 ( 2.374 -2.629 2.427) 4.293 17.820 ( 0.793 -0.398 -0.331) 0.947 17.974 ( 0.247 -2.679 1.848) 3.264 18.110 ( -3.352 -4.073 -3.450) 6.303 18.260 ( 0.554 8.952 -0.038) 8.970 18.338 ( -2.195 10.886 -4.558) 12.004 18.973 ( 1.889 -18.149 -1.564) 18.314 19.035 ( -0.698 -16.851 -4.803) 17.536 20.245 ( 12.510 13.218 8.079) 19.912 20.472 ( 6.896 7.358 -3.826) 10.786 21.073 ( -10.897 1.720 7.320) 13.239 21.194 ( -8.862 2.854 -0.324) 9.316 21.415 ( 1.058 17.429 1.266) 17.507 21.501 ( -0.969 15.922 -2.666) 16.172 22.002 ( 1.957 -10.569 3.608) 11.338 22.098 ( -2.844 -13.346 -1.578) 13.736 24.290 ( 1.551 18.552 16.151) 24.646 24.388 ( -1.576 16.738 11.173) 20.186 24.880 ( 4.928 -11.103 -5.974) 13.537 25.094 ( -4.993 -4.764 -12.143) 13.967 25.734 ( 1.817 4.666 -3.234) 5.961 25.778 ( 0.809 1.936 1.785) 2.755 25.944 ( 6.886 -6.078 -9.599) 13.286 26.256 ( -6.682 -11.593 -14.594) 19.800 26.959 ( 4.984 12.935 5.891) 15.062 27.049 ( 6.347 14.374 1.677) 15.802 27.267 ( -1.999 6.175 9.934) 11.866 27.451 ( -1.667 -2.314 1.088) 3.052 27.596 ( 4.718 -2.732 7.823) 9.535 27.675 ( -0.576 1.743 9.585) 9.760 27.681 ( 2.028 -1.847 6.899) 7.424 27.820 ( -1.094 -0.256 9.615) 9.680 28.048 ( 2.735 4.593 -1.150) 5.468 28.148 ( -2.318 -0.424 -0.889) 2.519 28.170 ( 2.025 5.592 -5.029) 7.789 28.218 ( -4.576 2.703 0.068) 5.315 28.472 ( 5.611 -10.126 2.141) 11.772 28.539 ( 3.440 -10.495 4.378) 11.881 28.589 ( 2.246 -7.113 -0.686) 7.491 28.706 ( -0.442 -11.132 -0.361) 11.146 28.951 ( -1.455 4.321 1.758) 4.887 28.960 ( -0.797 1.466 3.743) 4.098 29.095 ( 2.701 -3.517 -1.498) 4.681 29.179 ( 0.341 -6.225 -2.699) 6.793 29.289 ( 0.994 -2.660 -1.671) 3.295 29.419 ( -2.360 -9.768 -3.108) 10.519 29.452 ( -1.582 -4.582 -4.518) 6.627 29.529 ( -6.033 -5.986 -3.654) 9.251 29.904 ( 4.984 2.521 2.303) 6.042 30.016 ( 1.844 -0.627 -2.587) 3.239 30.216 ( 0.664 -5.293 1.267) 5.483 30.262 ( -0.111 -3.186 -1.568) 3.553 31.448 ( 1.930 5.860 -0.591) 6.198 31.530 ( 0.402 7.106 -4.960) 8.675 31.725 ( 7.030 8.969 9.675) 14.949 31.905 ( 0.072 -6.089 0.210) 6.093 32.308 ( -6.758 3.623 0.258) 7.672 32.418 ( -10.962 0.579 -0.523) 10.990 32.605 ( -6.289 -2.280 0.840) 6.742 32.664 ( -4.583 -1.206 -3.883) 6.126 32.929 ( 1.895 -2.306 -0.322) 3.002 32.965 ( -2.031 3.081 -3.314) 4.960 33.123 ( 2.140 -5.270 1.689) 5.933 33.298 ( -3.968 -8.405 -2.880) 9.731 34.070 ( 10.397 13.799 4.051) 17.746 34.293 ( 5.526 8.391 -6.752) 12.105 34.614 ( -3.965 3.450 3.601) 6.371 34.869 ( -9.635 -2.128 -9.056) 13.393 ======================= Grid point 115 (44/64) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -13.930 8.389 16.685) 23.298 3.114 ( 13.930 8.389 16.685) 23.298 3.364 ( -7.353 2.050 8.213) 11.213 3.364 ( 7.353 2.050 8.213) 11.213 3.605 ( -6.005 5.038 -1.864) 8.057 3.605 ( 6.005 5.038 -1.864) 8.057 3.950 ( -10.901 -0.003 2.008) 11.085 3.950 ( 10.902 -0.003 2.008) 11.085 4.144 ( -9.887 2.004 -7.736) 12.713 4.144 ( 9.887 2.004 -7.736) 12.713 4.471 ( -8.692 -7.363 -0.336) 11.396 4.471 ( 8.692 -7.363 -0.336) 11.396 4.659 ( -4.007 2.184 0.381) 4.579 4.659 ( 4.007 2.184 0.381) 4.579 4.870 ( -3.099 -7.612 -1.229) 8.310 4.870 ( 3.099 -7.612 -1.229) 8.310 5.195 ( -6.132 10.454 0.622) 12.136 5.195 ( 6.132 10.454 0.622) 12.136 5.248 ( -4.997 9.522 -2.263) 10.990 5.248 ( 4.997 9.522 -2.263) 10.990 5.409 ( -8.348 8.151 3.391) 12.150 5.409 ( 8.348 8.151 3.391) 12.150 5.731 ( -0.848 -7.740 7.783) 11.009 5.731 ( 0.848 -7.740 7.783) 11.009 5.921 ( -6.826 5.773 1.598) 9.081 5.921 ( 6.826 5.773 1.598) 9.081 6.194 ( -8.470 -1.419 -1.974) 8.812 6.194 ( 8.470 -1.419 -1.974) 8.812 6.618 ( -3.915 2.160 10.550) 11.458 6.618 ( 3.915 2.160 10.550) 11.458 6.760 ( -5.115 8.984 6.821) 12.386 6.760 ( 5.116 8.984 6.821) 12.386 7.174 ( -7.115 -2.621 0.698) 7.614 7.174 ( 7.115 -2.622 0.698) 7.614 7.440 ( -7.729 0.779 -7.882) 11.066 7.440 ( 7.729 0.779 -7.882) 11.066 7.767 ( -13.394 -8.385 -1.390) 15.864 7.767 ( 13.394 -8.385 -1.390) 15.864 8.019 ( -4.163 -12.655 -4.584) 14.089 8.019 ( 4.163 -12.655 -4.584) 14.089 8.186 ( -7.234 -7.336 6.343) 12.099 8.186 ( 7.234 -7.336 6.343) 12.099 8.399 ( -4.177 -9.836 3.588) 11.273 8.399 ( 4.177 -9.836 3.588) 11.273 8.818 ( -7.899 4.653 -9.306) 13.063 8.818 ( 7.899 4.653 -9.306) 13.063 9.260 ( -6.031 -9.087 -13.390) 17.270 9.260 ( 6.031 -9.087 -13.390) 17.270 10.117 ( -5.647 15.127 14.326) 21.586 10.117 ( 5.647 15.127 14.326) 21.586 10.409 ( -2.930 2.049 9.356) 10.016 10.409 ( 2.930 2.049 9.356) 10.016 10.685 ( -1.810 -1.248 -10.018) 10.256 10.685 ( 1.810 -1.248 -10.018) 10.256 10.873 ( -7.822 4.731 -10.909) 14.233 10.873 ( 7.822 4.731 -10.909) 14.233 11.080 ( -4.202 0.831 8.636) 9.640 11.080 ( 4.202 0.831 8.636) 9.640 11.672 ( -9.769 -4.300 -9.624) 14.371 11.672 ( 9.769 -4.300 -9.624) 14.371 12.151 ( -8.210 -4.881 -1.196) 9.626 12.151 ( 8.210 -4.881 -1.196) 9.626 12.234 ( -4.393 -6.834 -3.730) 8.940 12.234 ( 4.393 -6.834 -3.730) 8.940 12.524 ( -8.296 5.476 6.366) 11.804 12.524 ( 8.296 5.476 6.366) 11.804 12.829 ( -5.182 -4.230 2.154) 7.027 12.829 ( 5.182 -4.230 2.154) 7.027 13.375 ( -0.924 12.798 -3.993) 13.439 13.375 ( 0.924 12.798 -3.993) 13.439 13.580 ( -10.492 9.021 -0.703) 13.855 13.580 ( 10.492 9.021 -0.703) 13.855 13.939 ( -2.844 13.982 3.731) 14.748 13.939 ( 2.844 13.982 3.731) 14.748 14.198 ( -8.438 -1.200 -4.659) 9.713 14.198 ( 8.438 -1.200 -4.659) 9.713 15.235 ( -5.150 -6.267 5.321) 9.701 15.235 ( 5.150 -6.267 5.321) 9.701 15.585 ( -3.520 -15.035 0.617) 15.454 15.585 ( 3.520 -15.035 0.617) 15.454 16.041 ( -3.655 10.235 1.664) 10.995 16.041 ( 3.655 10.235 1.664) 10.995 16.402 ( -3.097 -3.402 -11.746) 12.615 16.402 ( 3.097 -3.402 -11.746) 12.615 17.197 ( -2.909 1.913 1.671) 3.862 17.197 ( 2.909 1.913 1.671) 3.862 17.500 ( -1.888 -12.853 0.581) 13.004 17.500 ( 1.888 -12.853 0.581) 13.004 17.790 ( -2.635 0.290 1.878) 3.249 17.790 ( 2.635 0.290 1.878) 3.249 18.029 ( -4.030 -6.375 -2.175) 7.849 18.029 ( 4.030 -6.375 -2.175) 7.849 18.291 ( -2.152 10.943 -2.772) 11.492 18.291 ( 2.152 10.943 -2.772) 11.492 19.010 ( -1.613 -17.891 -3.501) 18.301 19.010 ( 1.613 -17.891 -3.501) 18.301 20.485 ( -7.976 13.393 3.003) 15.874 20.485 ( 7.976 13.393 3.003) 15.874 20.999 ( -5.924 -2.194 3.179) 7.072 20.999 ( 5.924 -2.194 3.179) 7.072 21.465 ( -2.453 19.034 -0.616) 19.201 21.465 ( 2.453 19.034 -0.616) 19.201 22.045 ( -2.274 -12.416 0.227) 12.625 22.045 ( 2.274 -12.416 0.227) 12.625 24.340 ( -2.797 17.873 13.649) 22.661 24.340 ( 2.797 17.873 13.649) 22.661 24.985 ( -5.275 -9.021 -8.312) 13.353 24.985 ( 5.275 -9.021 -8.312) 13.353 25.769 ( -1.347 4.202 -2.184) 4.924 25.769 ( 1.347 4.202 -2.184) 4.924 26.100 ( -7.923 -8.647 -11.972) 16.760 26.100 ( 7.923 -8.647 -11.972) 16.760 27.070 ( -4.470 12.660 8.461) 15.870 27.070 ( 4.470 12.660 8.461) 15.870 27.337 ( -7.719 4.576 0.653) 8.997 27.337 ( 7.719 4.576 0.653) 8.997 27.655 ( -1.559 -0.561 10.023) 10.159 27.655 ( 1.559 -0.561 10.023) 10.159 27.771 ( -4.271 -4.122 7.863) 9.852 27.771 ( 4.271 -4.122 7.863) 9.852 28.083 ( -3.167 2.873 3.259) 5.376 28.083 ( 3.167 2.873 3.259) 5.376 28.188 ( -0.950 6.071 -4.826) 7.813 28.188 ( 0.950 6.071 -4.826) 7.813 28.597 ( -2.467 -8.709 -1.852) 9.239 28.597 ( 2.467 -8.709 -1.852) 9.239 28.625 ( -6.083 -12.574 1.676) 14.068 28.625 ( 6.083 -12.574 1.676) 14.068 28.948 ( -0.507 1.138 4.611) 4.776 28.948 ( 0.507 1.138 4.611) 4.776 29.124 ( -2.362 -6.290 -0.291) 6.725 29.124 ( 2.362 -6.290 -0.291) 6.725 29.384 ( -5.677 -3.389 -3.939) 7.696 29.384 ( 5.677 -3.389 -3.939) 7.696 29.426 ( -1.107 -6.412 -5.024) 8.221 29.426 ( 1.107 -6.412 -5.024) 8.221 29.999 ( -3.376 4.326 -0.317) 5.497 29.999 ( 3.376 4.326 -0.317) 5.497 30.243 ( -1.562 -5.154 -0.690) 5.429 30.243 ( 1.562 -5.154 -0.690) 5.429 31.503 ( -2.741 8.308 -1.407) 8.861 31.503 ( 2.741 8.308 -1.407) 8.861 31.867 ( -4.887 1.014 2.068) 5.402 31.867 ( 4.887 1.014 2.068) 5.402 32.245 ( -3.052 2.495 1.285) 4.146 32.245 ( 3.052 2.495 1.285) 4.146 32.578 ( -2.788 -3.974 -2.514) 5.467 32.578 ( 2.788 -3.974 -2.514) 5.467 32.951 ( -0.361 -0.901 0.065) 0.973 32.951 ( 0.361 -0.901 0.065) 0.973 33.203 ( -4.847 -6.608 -1.408) 8.315 33.203 ( 4.847 -6.608 -1.408) 8.315 34.258 ( -7.302 16.399 1.146) 17.987 34.258 ( 7.302 16.399 1.146) 17.987 34.673 ( -8.261 -4.397 -4.887) 10.558 34.673 ( 8.261 -4.397 -4.887) 10.558 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 0.000 -15.998 24.195) 29.006 3.055 ( 0.000 15.998 24.195) 29.006 3.307 ( 0.000 -1.625 2.387) 2.887 3.307 ( 0.000 1.625 2.387) 2.887 3.616 ( 0.000 -5.402 9.380) 10.824 3.616 ( 0.000 5.402 9.380) 10.824 3.722 ( 0.000 -22.573 17.334) 28.460 3.722 ( 0.000 22.573 17.334) 28.460 4.346 ( 0.000 -7.258 -0.357) 7.266 4.346 ( 0.000 7.258 -0.357) 7.266 4.490 ( 0.000 -8.732 -8.371) 12.096 4.490 ( 0.000 8.732 -8.371) 12.096 4.732 ( 0.000 -9.187 -0.089) 9.187 4.732 ( 0.000 9.187 -0.089) 9.187 4.911 ( 0.000 -5.195 -7.517) 9.138 4.911 ( 0.000 5.195 -7.517) 9.138 5.228 ( 0.000 -6.771 0.578) 6.796 5.228 ( 0.000 6.771 0.578) 6.796 5.387 ( 0.000 -3.714 5.650) 6.762 5.387 ( 0.000 3.714 5.650) 6.762 5.664 ( 0.000 -8.058 0.259) 8.062 5.664 ( 0.000 8.058 0.259) 8.062 5.808 ( 0.000 -17.518 10.934) 20.650 5.808 ( 0.000 17.518 10.934) 20.650 6.034 ( 0.000 -14.994 7.873) 16.935 6.034 ( 0.000 14.994 7.873) 16.935 6.067 ( 0.000 -3.983 5.016) 6.405 6.067 ( 0.000 3.983 5.016) 6.405 6.516 ( 0.000 -0.300 -20.186) 20.188 6.516 ( 0.000 0.300 -20.186) 20.188 6.679 ( 0.000 -5.174 -8.864) 10.263 6.679 ( 0.000 5.174 -8.864) 10.263 7.007 ( 0.000 -1.920 2.676) 3.294 7.007 ( 0.000 1.920 2.676) 3.294 7.461 ( 0.000 -5.481 5.146) 7.518 7.461 ( 0.000 5.481 5.146) 7.518 7.728 ( 0.000 -25.802 -8.149) 27.058 7.728 ( 0.000 25.802 -8.149) 27.058 7.945 ( 0.000 -4.968 3.105) 5.858 7.945 ( 0.000 4.968 3.105) 5.858 8.135 ( 0.000 -13.723 -9.836) 16.884 8.135 ( 0.000 13.723 -9.836) 16.884 8.241 ( 0.000 -1.243 -7.470) 7.573 8.241 ( 0.000 1.243 -7.470) 7.573 8.806 ( 0.000 -5.167 -6.751) 8.501 8.806 ( 0.000 5.167 -6.751) 8.501 9.632 ( 0.000 -0.576 13.649) 13.661 9.632 ( 0.000 0.576 13.649) 13.661 9.789 ( 0.000 -16.949 -11.422) 20.439 9.789 ( 0.000 16.949 -11.422) 20.439 10.280 ( 0.000 -6.593 -8.747) 10.954 10.280 ( 0.000 6.593 -8.747) 10.954 10.709 ( 0.000 -4.841 7.476) 8.907 10.709 ( 0.000 4.841 7.476) 8.907 10.741 ( 0.000 -4.756 8.427) 9.677 10.741 ( 0.000 4.756 8.427) 9.677 11.453 ( 0.000 -12.827 20.780) 24.420 11.453 ( 0.000 12.827 20.780) 24.420 11.634 ( 0.000 -3.407 -5.541) 6.504 11.634 ( 0.000 3.407 -5.541) 6.504 11.839 ( 0.000 -5.859 10.736) 12.231 11.839 ( 0.000 5.859 10.736) 12.231 12.355 ( 0.000 -7.783 -8.462) 11.497 12.355 ( 0.000 7.783 -8.462) 11.497 12.422 ( 0.000 -1.426 2.065) 2.509 12.422 ( 0.000 1.426 2.065) 2.509 12.883 ( 0.000 -10.040 -19.038) 21.524 12.883 ( 0.000 10.040 -19.038) 21.524 13.221 ( 0.000 -0.164 9.913) 9.915 13.221 ( 0.000 0.164 9.913) 9.915 13.835 ( 0.000 -4.994 -17.145) 17.857 13.835 ( 0.000 4.994 -17.145) 17.857 14.123 ( 0.000 -1.916 6.498) 6.775 14.123 ( 0.000 1.916 6.498) 6.775 14.721 ( 0.000 -3.144 4.809) 5.746 14.721 ( 0.000 3.144 4.809) 5.746 15.119 ( 0.000 -5.871 4.592) 7.454 15.119 ( 0.000 5.871 4.592) 7.454 15.475 ( 0.000 -0.842 1.540) 1.755 15.475 ( 0.000 0.842 1.540) 1.755 16.195 ( 0.000 -4.048 -12.291) 12.940 16.195 ( 0.000 4.048 -12.291) 12.940 16.351 ( 0.000 -1.470 -1.459) 2.071 16.351 ( 0.000 1.470 -1.459) 2.071 17.044 ( 0.000 -1.794 2.351) 2.957 17.044 ( 0.000 1.794 2.351) 2.957 17.260 ( 0.000 -4.515 -7.204) 8.502 17.260 ( 0.000 4.515 -7.204) 8.502 17.626 ( 0.000 -1.847 0.974) 2.088 17.626 ( 0.000 1.847 0.974) 2.088 18.145 ( 0.000 -4.349 2.161) 4.856 18.145 ( 0.000 4.349 2.161) 4.856 18.509 ( 0.000 -14.323 -0.621) 14.336 18.509 ( 0.000 14.323 -0.621) 14.336 18.706 ( 0.000 -13.042 -5.897) 14.314 18.706 ( 0.000 13.042 -5.897) 14.314 20.211 ( 0.000 -8.631 4.364) 9.672 20.211 ( 0.000 8.631 4.364) 9.672 21.444 ( 0.000 -2.596 2.798) 3.816 21.444 ( 0.000 2.596 2.798) 3.816 21.694 ( 0.000 -6.446 -1.672) 6.659 21.694 ( 0.000 6.446 -1.672) 6.659 21.858 ( 0.000 -5.569 3.641) 6.654 21.858 ( 0.000 5.569 3.641) 6.654 24.502 ( 0.000 -9.637 3.909) 10.400 24.502 ( 0.000 9.637 3.909) 10.400 24.950 ( 0.000 -23.649 9.681) 25.554 24.950 ( 0.000 23.649 9.681) 25.554 25.691 ( 0.000 -3.282 -5.150) 6.106 25.691 ( 0.000 3.282 -5.150) 6.106 26.000 ( 0.000 -19.519 -16.356) 25.466 26.000 ( 0.000 19.519 -16.356) 25.466 27.094 ( 0.000 -5.949 5.122) 7.850 27.094 ( 0.000 5.949 5.122) 7.850 27.365 ( 0.000 -6.431 0.374) 6.442 27.365 ( 0.000 6.431 0.374) 6.442 27.526 ( 0.000 -5.656 8.976) 10.610 27.526 ( 0.000 5.656 8.976) 10.610 27.838 ( 0.000 -6.125 7.130) 9.400 27.838 ( 0.000 6.125 7.130) 9.400 27.958 ( 0.000 -2.439 2.854) 3.755 27.958 ( 0.000 2.439 2.854) 3.755 28.288 ( 0.000 -4.015 -0.566) 4.055 28.288 ( 0.000 4.015 -0.566) 4.055 28.433 ( 0.000 -1.821 0.706) 1.953 28.433 ( 0.000 1.821 0.706) 1.953 28.459 ( 0.000 -5.955 -1.689) 6.190 28.459 ( 0.000 5.955 -1.689) 6.190 28.906 ( 0.000 -2.803 1.185) 3.043 28.906 ( 0.000 2.803 1.185) 3.043 29.162 ( 0.000 -0.977 -2.126) 2.340 29.162 ( 0.000 0.977 -2.126) 2.340 29.354 ( 0.000 -5.476 2.005) 5.831 29.354 ( 0.000 5.476 2.005) 5.831 29.524 ( 0.000 -4.940 -1.563) 5.182 29.524 ( 0.000 4.940 -1.563) 5.182 29.681 ( 0.000 -8.478 -3.180) 9.054 29.681 ( 0.000 8.478 -3.180) 9.054 30.214 ( 0.000 -1.299 -0.643) 1.449 30.214 ( 0.000 1.299 -0.643) 1.449 31.512 ( 0.000 -2.845 -2.252) 3.628 31.512 ( 0.000 2.845 -2.252) 3.628 31.770 ( 0.000 -5.202 7.622) 9.228 31.770 ( 0.000 5.202 7.622) 9.228 32.522 ( 0.000 -2.283 -0.264) 2.298 32.522 ( 0.000 2.283 -0.264) 2.298 32.845 ( 0.000 -1.047 -3.935) 4.072 32.845 ( 0.000 1.047 -3.935) 4.072 32.988 ( 0.000 -2.112 1.118) 2.389 32.988 ( 0.000 2.112 1.118) 2.389 33.468 ( 0.000 -0.862 -0.972) 1.299 33.468 ( 0.000 0.862 -0.972) 1.299 33.774 ( 0.000 -9.785 -4.829) 10.912 33.774 ( 0.000 9.785 -4.829) 10.912 35.039 ( 0.000 -7.904 -3.190) 8.524 35.039 ( 0.000 7.904 -3.190) 8.524 ======================= Grid point 121 (46/64) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 2.032 -10.702 14.145) 17.854 3.091 ( 2.032 10.702 14.145) 17.854 3.392 ( 7.641 -5.896 5.778) 11.249 3.392 ( 7.641 5.896 5.778) 11.249 3.604 ( -0.053 -6.975 13.004) 14.756 3.604 ( -0.053 6.975 13.004) 14.756 3.824 ( 8.090 -14.594 12.024) 20.567 3.824 ( 8.090 14.594 12.024) 20.567 4.195 ( -10.290 -3.757 2.336) 11.201 4.195 ( -10.290 3.757 2.336) 11.201 4.524 ( -1.186 -1.737 -8.209) 8.474 4.524 ( -1.186 1.737 -8.209) 8.474 4.668 ( -4.363 -3.306 -1.073) 5.578 4.668 ( -4.363 3.306 -1.073) 5.578 4.912 ( 1.034 -7.909 -9.564) 12.453 4.912 ( 1.034 7.909 -9.564) 12.453 5.164 ( -3.277 -5.790 6.547) 9.334 5.164 ( -3.277 5.790 6.547) 9.334 5.411 ( 2.024 -4.440 -1.596) 5.134 5.411 ( 2.024 4.440 -1.596) 5.134 5.634 ( -2.777 -0.079 3.351) 4.353 5.634 ( -2.777 0.079 3.351) 4.353 5.811 ( -1.786 -9.431 11.404) 14.906 5.811 ( -1.786 9.431 11.404) 14.906 5.955 ( -6.624 -5.204 8.573) 12.019 5.955 ( -6.624 5.204 8.573) 12.019 6.202 ( 10.055 -10.751 5.567) 15.738 6.202 ( 10.055 10.751 5.567) 15.738 6.536 ( 1.953 -5.404 -13.865) 15.009 6.536 ( 1.953 5.404 -13.865) 15.009 6.690 ( 1.037 -0.332 -15.547) 15.585 6.690 ( 1.037 0.332 -15.547) 15.585 7.010 ( 1.845 -6.556 6.694) 9.550 7.010 ( 1.845 6.556 6.694) 9.550 7.455 ( -0.628 -15.617 1.740) 15.726 7.455 ( -0.628 15.617 1.740) 15.726 7.722 ( 0.050 -5.053 -2.970) 5.861 7.722 ( 0.050 5.053 -2.970) 5.861 7.897 ( -3.628 -8.903 6.540) 11.628 7.897 ( -3.628 8.903 6.540) 11.628 8.160 ( 2.047 -6.258 -21.435) 22.423 8.160 ( 2.047 6.258 -21.435) 22.423 8.310 ( 3.538 -7.955 0.008) 8.706 8.310 ( 3.538 7.955 0.008) 8.706 8.767 ( -2.386 -7.692 -5.727) 9.882 8.767 ( -2.386 7.692 -5.727) 9.882 9.512 ( -9.766 -9.627 4.401) 14.402 9.512 ( -9.766 9.627 4.401) 14.402 9.924 ( 11.216 -11.643 -2.418) 16.347 9.924 ( 11.216 11.643 -2.418) 16.347 10.363 ( 7.208 -7.373 -10.174) 14.485 10.363 ( 7.208 7.373 -10.174) 14.485 10.605 ( -6.063 -10.222 10.754) 16.028 10.605 ( -6.063 10.222 10.754) 16.028 10.830 ( 5.269 -12.567 3.423) 14.050 10.830 ( 5.269 12.567 3.423) 14.050 11.355 ( -9.839 -16.976 19.004) 27.315 11.355 ( -9.839 16.976 19.004) 27.315 11.593 ( 1.708 -2.632 1.971) 3.706 11.593 ( 1.708 2.632 1.971) 3.706 12.004 ( 7.945 -4.294 0.445) 9.042 12.004 ( 7.945 4.294 0.445) 9.042 12.254 ( -8.321 -14.748 -6.932) 18.297 12.254 ( -8.321 14.748 -6.932) 18.297 12.412 ( 3.280 -7.060 -5.940) 9.792 12.412 ( 3.280 7.060 -5.940) 9.792 12.945 ( -0.278 -5.171 -4.286) 6.723 12.945 ( -0.278 5.171 -4.286) 6.723 13.268 ( 6.972 -5.853 4.916) 10.346 13.268 ( 6.972 5.853 4.916) 10.346 13.761 ( -5.479 -4.695 -13.159) 15.008 13.761 ( -5.479 4.695 -13.159) 15.008 14.136 ( 0.117 -2.610 3.109) 4.061 14.136 ( 0.117 2.610 3.109) 4.061 14.611 ( -9.823 -4.943 3.895) 11.666 14.611 ( -9.823 4.943 3.895) 11.666 15.146 ( 2.413 -7.187 4.156) 8.645 15.146 ( 2.413 7.187 4.156) 8.645 15.436 ( -3.440 -3.509 1.908) 5.271 15.436 ( -3.440 3.509 1.908) 5.271 16.186 ( -0.182 -6.173 -10.705) 12.359 16.186 ( -0.182 6.173 -10.705) 12.359 16.355 ( -0.193 -4.302 -2.123) 4.801 16.355 ( -0.193 4.302 -2.123) 4.801 17.082 ( 3.477 -4.170 2.846) 6.130 17.082 ( 3.477 4.170 2.846) 6.130 17.288 ( 2.080 -4.650 -5.550) 7.534 17.288 ( 2.080 4.650 -5.550) 7.534 17.663 ( 3.453 -2.600 0.621) 4.367 17.663 ( 3.453 2.600 0.621) 4.367 18.102 ( -3.990 -4.430 1.477) 6.143 18.102 ( -3.990 4.430 1.477) 6.143 18.526 ( 1.523 -14.622 -1.216) 14.751 18.526 ( 1.523 14.622 -1.216) 14.751 18.701 ( -0.661 -13.440 -5.760) 14.638 18.701 ( -0.661 13.440 -5.760) 14.638 20.287 ( 7.190 -8.195 4.357) 11.741 20.287 ( 7.190 8.195 4.357) 11.741 21.354 ( -8.501 -3.551 3.294) 9.784 21.354 ( -8.501 3.551 3.294) 9.784 21.714 ( 1.737 -5.274 -1.770) 5.827 21.714 ( 1.737 5.274 -1.770) 5.827 21.851 ( -0.612 -5.090 2.731) 5.808 21.851 ( -0.612 5.090 2.731) 5.808 24.527 ( 2.425 -10.848 4.024) 11.821 24.527 ( 2.425 10.848 4.024) 11.821 24.910 ( -3.607 -21.961 8.850) 23.950 24.910 ( -3.607 21.961 8.850) 23.950 25.735 ( 3.761 -3.274 -5.450) 7.387 25.735 ( 3.761 3.274 -5.450) 7.387 26.005 ( 0.036 -17.474 -15.797) 23.556 26.005 ( 0.036 17.474 -15.797) 23.556 27.119 ( 2.514 -5.789 4.782) 7.918 27.119 ( 2.514 5.789 4.782) 7.918 27.370 ( 0.267 -6.615 1.663) 6.826 27.370 ( 0.267 6.615 1.663) 6.826 27.524 ( 0.834 -8.749 8.547) 12.260 27.524 ( 0.834 8.749 8.547) 12.260 27.822 ( -1.345 -5.180 10.000) 11.342 27.822 ( -1.345 5.180 10.000) 11.342 28.025 ( 5.400 -1.922 0.447) 5.749 28.025 ( 5.400 1.922 0.447) 5.749 28.290 ( -0.305 -4.887 -4.965) 6.973 28.290 ( -0.305 4.887 -4.965) 6.973 28.360 ( -2.669 -2.071 4.251) 5.430 28.360 ( -2.669 2.071 4.251) 5.430 28.512 ( 1.567 -4.333 -0.731) 4.666 28.512 ( 1.567 4.333 -0.731) 4.666 28.960 ( 4.018 -0.320 0.553) 4.068 28.960 ( 4.018 0.320 0.553) 4.068 29.139 ( -2.286 -3.289 -0.973) 4.122 29.139 ( -2.286 3.289 -0.973) 4.122 29.300 ( -3.577 -4.923 -0.109) 6.087 29.300 ( -3.577 4.923 -0.109) 6.087 29.498 ( -2.231 -5.686 -2.763) 6.704 29.498 ( -2.231 5.686 -2.763) 6.704 29.779 ( 7.888 -4.807 -0.769) 9.269 29.779 ( 7.888 4.807 -0.769) 9.269 30.209 ( -0.565 -1.609 -0.777) 1.874 30.209 ( -0.565 1.609 -0.777) 1.874 31.531 ( 2.052 -3.891 -2.347) 4.986 31.531 ( 2.052 3.891 -2.347) 4.986 31.789 ( 1.659 -4.329 6.053) 7.625 31.789 ( 1.659 4.329 6.053) 7.625 32.479 ( -4.026 -3.180 1.135) 5.254 32.479 ( -4.026 3.180 1.135) 5.254 32.795 ( -5.919 -3.496 -0.227) 6.878 32.795 ( -5.919 3.496 -0.227) 6.878 32.983 ( -0.220 -4.202 -1.355) 4.421 32.983 ( -0.220 4.202 -1.355) 4.421 33.244 ( -11.656 -5.256 -5.742) 14.017 33.244 ( -11.656 5.256 -5.742) 14.017 34.011 ( 14.508 -6.635 -1.308) 16.007 34.011 ( 14.508 6.635 -1.308) 16.007 34.960 ( -7.198 -7.774 -2.851) 10.972 34.960 ( -7.198 7.774 -2.851) 10.972 ======================= Grid point 123 (47/64) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 3.576 -6.508 10.047) 12.493 3.137 ( 3.576 6.508 10.047) 12.493 3.475 ( -4.896 -2.398 0.352) 5.463 3.475 ( -4.896 2.398 0.352) 5.463 3.656 ( 5.902 -11.535 15.984) 20.576 3.656 ( 5.902 11.535 15.984) 20.576 3.919 ( 1.786 -6.759 -1.665) 7.187 3.919 ( 1.786 6.759 -1.665) 7.187 4.114 ( 1.932 -13.346 7.537) 15.448 4.114 ( 1.932 13.346 7.537) 15.448 4.425 ( -4.445 -5.562 -6.798) 9.844 4.425 ( -4.445 5.562 -6.798) 9.844 4.609 ( -0.525 -3.769 -3.214) 4.981 4.609 ( -0.525 3.769 -3.214) 4.981 4.924 ( -3.391 -3.281 -1.448) 4.935 4.924 ( -3.391 3.281 -1.448) 4.935 5.199 ( 7.158 -8.546 2.318) 11.386 5.199 ( 7.158 8.546 2.318) 11.386 5.411 ( -2.592 -3.267 -5.730) 7.087 5.411 ( -2.592 3.267 -5.730) 7.087 5.571 ( -2.282 -6.412 7.127) 9.855 5.571 ( -2.282 6.412 7.127) 9.855 5.660 ( -8.104 -3.828 6.681) 11.179 5.660 ( -8.104 3.828 6.681) 11.179 5.946 ( 4.017 -6.596 11.380) 13.753 5.946 ( 4.017 6.596 11.380) 13.753 6.272 ( -5.073 -8.735 -1.867) 10.272 6.272 ( -5.073 8.735 -1.867) 10.272 6.618 ( 6.034 -1.964 1.321) 6.482 6.618 ( 6.034 1.964 1.321) 6.482 6.717 ( 1.626 -5.708 -6.698) 8.949 6.717 ( 1.626 5.708 -6.698) 8.949 7.144 ( 10.276 -8.587 3.623) 13.873 7.144 ( 10.276 8.587 3.623) 13.873 7.438 ( -1.350 -17.824 -0.532) 17.883 7.438 ( -1.350 17.824 -0.532) 17.883 7.704 ( -1.834 -5.371 1.773) 5.946 7.704 ( -1.834 5.371 1.773) 5.946 7.848 ( -2.502 -11.510 -0.743) 11.802 7.848 ( -2.502 11.510 -0.743) 11.802 8.142 ( -1.924 -7.761 -8.075) 11.365 8.142 ( -1.924 7.761 -8.075) 11.365 8.320 ( -3.387 -7.389 1.224) 8.220 8.320 ( -3.387 7.389 1.224) 8.220 8.804 ( 7.337 -9.276 -10.028) 15.507 8.804 ( 7.337 9.276 -10.028) 15.507 9.279 ( -12.059 -6.827 -5.612) 14.950 9.279 ( -12.059 6.827 -5.612) 14.950 10.181 ( 11.659 -3.458 3.303) 12.602 10.181 ( 11.659 3.458 3.303) 12.602 10.438 ( -3.156 -5.914 2.604) 7.191 10.438 ( -3.156 5.914 2.604) 7.191 10.599 ( 7.965 -8.504 0.995) 11.694 10.599 ( 7.965 8.504 0.995) 11.694 10.897 ( -1.347 -8.504 3.441) 9.272 10.897 ( -1.347 8.504 3.441) 9.272 11.209 ( -0.023 -18.829 5.657) 19.660 11.209 ( -0.023 18.829 5.657) 19.660 11.599 ( -5.424 -13.070 -0.068) 14.151 11.599 ( -5.424 13.070 -0.068) 14.151 11.978 ( -0.438 -7.634 -7.088) 10.426 11.978 ( -0.438 7.634 -7.088) 10.426 12.260 ( -0.527 -1.186 -4.608) 4.788 12.260 ( -0.527 1.186 -4.608) 4.788 12.509 ( 7.894 -8.273 -2.614) 11.730 12.509 ( 7.894 8.273 -2.614) 11.730 12.852 ( -6.371 -4.051 7.526) 10.660 12.852 ( -6.371 4.051 7.526) 10.660 13.465 ( 9.234 -6.714 -1.168) 11.477 13.465 ( 9.234 6.714 -1.168) 11.477 13.660 ( -3.709 -6.342 -8.545) 11.269 13.660 ( -3.709 6.342 -8.545) 11.269 14.118 ( -0.883 -1.621 0.978) 2.089 14.118 ( -0.883 1.621 0.978) 2.089 14.368 ( -12.144 -7.604 2.793) 14.598 14.368 ( -12.144 7.604 2.793) 14.598 15.206 ( 3.136 -8.817 2.946) 9.811 15.206 ( 3.136 8.817 2.946) 9.811 15.353 ( -4.103 -7.155 2.067) 8.503 15.353 ( -4.103 7.155 2.067) 8.503 16.206 ( 2.137 -8.661 -7.426) 11.607 16.206 ( 2.137 8.661 -7.426) 11.607 16.329 ( -2.339 -7.594 -2.845) 8.440 16.329 ( -2.339 7.594 -2.845) 8.440 17.175 ( 5.087 -5.240 2.790) 7.818 17.175 ( 5.087 5.240 2.790) 7.818 17.314 ( -0.102 -4.575 -1.658) 4.867 17.314 ( -0.102 4.575 -1.658) 4.867 17.756 ( 5.216 -4.048 -0.139) 6.604 17.756 ( 5.216 4.048 -0.139) 6.604 17.995 ( -5.907 -4.890 0.045) 7.669 17.995 ( -5.907 4.890 0.045) 7.669 18.568 ( 2.399 -14.845 -2.696) 15.277 18.568 ( 2.399 14.845 -2.696) 15.277 18.672 ( -2.054 -14.111 -5.230) 15.189 18.672 ( -2.054 14.111 -5.230) 15.189 20.499 ( 12.917 -7.137 4.325) 15.379 20.499 ( 12.917 7.137 4.325) 15.379 21.113 ( -14.097 -4.980 3.865) 15.443 21.113 ( -14.097 4.980 3.865) 15.443 21.757 ( 2.285 -2.503 -1.395) 3.665 21.757 ( 2.285 2.503 -1.395) 3.665 21.833 ( -1.136 -3.259 1.125) 3.630 21.833 ( -1.136 3.259 1.125) 3.630 24.601 ( 4.516 -13.010 4.559) 14.506 24.601 ( 4.516 13.010 4.559) 14.506 24.815 ( -5.197 -18.537 7.136) 20.532 24.815 ( -5.197 18.537 7.136) 20.532 25.825 ( 4.535 -4.600 -7.306) 9.752 25.825 ( 4.535 4.600 -7.306) 9.752 25.983 ( -2.312 -12.867 -13.651) 18.902 25.983 ( -2.312 12.867 -13.651) 18.902 27.202 ( 5.333 -6.100 4.826) 9.431 27.202 ( 5.333 6.100 4.826) 9.431 27.370 ( -0.696 -2.048 5.286) 5.711 27.370 ( -0.696 2.048 5.286) 5.711 27.576 ( 3.939 -3.787 6.293) 8.334 27.576 ( 3.939 3.787 6.293) 8.334 27.775 ( -3.493 -4.844 10.325) 11.928 27.775 ( -3.493 4.844 10.325) 11.928 28.131 ( 4.065 -2.263 0.570) 4.687 28.131 ( 4.065 2.263 0.570) 4.687 28.277 ( -1.485 -0.592 -5.986) 6.196 28.277 ( -1.485 0.592 -5.986) 6.196 28.354 ( 2.953 -2.778 3.615) 5.432 28.354 ( 2.953 2.778 3.615) 5.432 28.519 ( -0.956 -3.180 0.078) 3.321 28.519 ( -0.956 3.180 0.078) 3.321 29.010 ( 0.173 -3.366 1.432) 3.663 29.010 ( 0.173 3.366 1.432) 3.663 29.067 ( -4.081 -5.446 1.236) 6.917 29.067 ( -4.081 5.446 1.236) 6.917 29.277 ( 1.995 -2.453 -3.789) 4.934 29.277 ( 1.995 2.453 -3.789) 4.934 29.436 ( -3.661 -2.610 -3.353) 5.608 29.436 ( -3.661 2.610 -3.353) 5.608 29.958 ( 8.556 -3.251 0.498) 9.166 29.958 ( 8.556 3.251 0.498) 9.166 30.184 ( -2.178 -2.291 -0.650) 3.227 30.184 ( -2.178 2.291 -0.650) 3.227 31.607 ( 5.389 -5.524 -2.486) 8.107 31.607 ( 5.389 5.524 -2.486) 8.107 31.816 ( -0.226 -0.062 1.362) 1.382 31.816 ( -0.226 0.062 1.362) 1.382 32.381 ( -3.796 -5.397 4.694) 8.097 32.381 ( -3.796 5.397 4.694) 8.097 32.592 ( -11.514 -5.265 1.328) 12.730 32.592 ( -11.514 5.265 1.328) 12.730 32.997 ( 1.672 -6.070 -4.189) 7.562 32.997 ( 1.672 6.070 -4.189) 7.562 33.100 ( -3.535 -8.521 -5.255) 10.617 33.100 ( -3.535 8.521 -5.255) 10.617 34.289 ( 12.368 -6.305 -0.310) 13.886 34.289 ( 12.368 6.305 -0.310) 13.886 34.766 ( -10.798 -7.389 -2.016) 13.239 34.766 ( -10.798 7.389 -2.016) 13.239 ======================= Grid point 125 (48/64) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -7.776 -6.491 9.864) 14.139 3.276 ( -2.607 -5.359 9.864) 11.525 3.276 ( 2.607 5.359 9.864) 11.525 3.276 ( 7.776 6.491 9.864) 14.139 3.827 ( -9.041 -10.759 -2.199) 14.224 3.827 ( 7.156 -10.398 -2.199) 12.813 3.827 ( -7.156 10.398 -2.199) 12.813 3.827 ( 9.041 10.759 -2.199) 14.224 4.271 ( -11.141 -8.863 2.560) 14.464 4.271 ( 9.866 -8.477 2.560) 13.257 4.271 ( -9.866 8.477 2.560) 13.257 4.271 ( 11.141 8.863 2.560) 14.464 4.739 ( -10.824 -4.856 -2.710) 12.169 4.739 ( -4.864 -0.447 -2.710) 5.586 4.739 ( 4.864 0.447 -2.710) 5.586 4.739 ( 10.824 4.856 -2.710) 12.169 5.357 ( -4.439 -2.430 -0.566) 5.092 5.357 ( 2.181 -1.472 -0.566) 2.692 5.357 ( -2.181 1.472 -0.566) 2.692 5.357 ( 4.439 2.430 -0.566) 5.092 5.551 ( -1.108 -7.002 6.648) 9.719 5.551 ( 0.701 -6.989 6.648) 9.671 5.551 ( -0.701 6.989 6.648) 9.671 5.551 ( 1.108 7.002 6.648) 9.719 6.091 ( -9.450 -7.777 0.580) 12.252 6.091 ( 8.223 -7.420 0.580) 11.091 6.091 ( -8.223 7.420 0.580) 11.091 6.091 ( 9.450 7.777 0.580) 12.252 6.719 ( -2.237 -6.914 5.330) 9.012 6.719 ( 1.986 -6.895 5.330) 8.938 6.719 ( -1.986 6.895 5.330) 8.938 6.719 ( 2.237 6.914 5.330) 9.012 7.351 ( -6.665 -11.510 1.086) 13.345 7.351 ( 3.998 -11.197 1.086) 11.939 7.351 ( -3.998 11.197 1.086) 11.939 7.351 ( 6.665 11.510 1.086) 13.345 7.733 ( -3.923 -9.058 -2.370) 10.151 7.733 ( 1.340 -8.868 -2.370) 9.277 7.733 ( -1.340 8.868 -2.370) 9.277 7.733 ( 3.923 9.058 -2.370) 10.151 8.200 ( -6.151 -6.889 1.724) 9.395 8.200 ( 4.793 -6.614 1.724) 8.348 8.200 ( -4.793 6.614 1.724) 8.348 8.200 ( 6.151 6.889 1.724) 9.395 9.024 ( -10.883 -11.452 -12.481) 20.133 9.024 ( 3.973 -10.271 -12.481) 16.644 9.024 ( -3.973 10.271 -12.481) 16.644 9.024 ( 10.883 11.452 -12.481) 20.133 10.354 ( -3.523 -6.798 6.821) 10.255 10.354 ( 0.511 -6.571 6.821) 9.485 10.354 ( -0.511 6.571 6.821) 9.485 10.354 ( 3.523 6.798 6.821) 10.255 10.775 ( -8.070 -9.126 2.328) 12.403 10.775 ( 7.793 -9.066 2.328) 12.179 10.775 ( -7.793 9.066 2.328) 12.179 10.775 ( 8.070 9.126 2.328) 12.403 11.373 ( -12.639 -19.604 -5.581) 23.983 11.373 ( 12.629 -19.602 -5.581) 23.977 11.373 ( -12.629 19.602 -5.581) 23.977 11.373 ( 12.639 19.604 -5.581) 23.983 12.117 ( -10.139 -1.999 -3.514) 10.916 12.117 ( -10.073 1.914 -3.514) 10.839 12.117 ( 10.073 -1.914 -3.514) 10.839 12.117 ( 10.139 1.999 -3.514) 10.916 12.702 ( -8.166 -7.540 4.121) 11.854 12.702 ( 4.514 -6.729 4.121) 9.090 12.702 ( -4.514 6.729 4.121) 9.090 12.702 ( 8.166 7.540 4.121) 11.854 13.596 ( -3.535 -6.594 -4.658) 8.813 13.596 ( 3.298 -6.563 -4.658) 8.698 13.596 ( -3.298 6.563 -4.658) 8.698 13.596 ( 3.535 6.594 -4.658) 8.813 14.164 ( -6.368 -6.034 1.778) 8.950 14.164 ( 6.154 -5.978 1.778) 8.762 14.164 ( -6.154 5.978 1.778) 8.762 14.164 ( 6.368 6.034 1.778) 8.950 15.274 ( -3.157 -10.646 2.131) 11.307 15.274 ( 2.837 -10.623 2.131) 11.200 15.274 ( -2.837 10.623 2.131) 11.200 15.274 ( 3.157 10.646 2.131) 11.307 16.266 ( -3.323 -9.216 -4.406) 10.742 16.266 ( 3.299 -9.214 -4.406) 10.733 16.266 ( -3.299 9.214 -4.406) 10.733 16.266 ( 3.323 9.216 -4.406) 10.742 17.272 ( -3.099 -6.789 1.483) 7.609 17.272 ( 2.002 -6.685 1.483) 7.134 17.272 ( -2.002 6.685 1.483) 7.134 17.272 ( 3.099 6.789 1.483) 7.609 17.871 ( -4.973 -6.748 -0.650) 8.408 17.871 ( 2.319 -6.379 -0.650) 6.819 17.871 ( -2.319 6.379 -0.650) 6.819 17.871 ( 4.973 6.748 -0.650) 8.408 18.621 ( -2.278 -17.673 -4.208) 18.309 18.621 ( 2.149 -17.668 -4.208) 18.289 18.621 ( -2.149 17.668 -4.208) 18.289 18.621 ( 2.278 17.673 -4.208) 18.309 20.799 ( -11.303 -13.190 4.179) 17.866 20.799 ( -2.000 -11.960 4.179) 12.826 20.799 ( 2.000 11.960 4.179) 12.826 20.799 ( 11.303 13.190 4.179) 17.866 21.802 ( -0.308 -12.139 -0.312) 12.147 21.802 ( 0.014 -12.138 -0.312) 12.142 21.802 ( -0.014 12.138 -0.312) 12.142 21.802 ( 0.308 12.139 -0.312) 12.147 24.705 ( -5.264 -15.682 5.597) 17.463 24.705 ( 5.194 -15.676 5.597) 17.437 24.705 ( -5.194 15.676 5.597) 17.437 24.705 ( 5.264 15.682 5.597) 17.463 25.915 ( -4.002 -8.222 -10.442) 13.880 25.915 ( 3.938 -8.214 -10.442) 13.857 25.915 ( -3.938 8.214 -10.442) 13.857 25.915 ( 4.002 8.222 -10.442) 13.880 27.315 ( -4.103 -7.892 5.782) 10.609 27.315 ( 3.013 -7.768 5.782) 10.142 27.315 ( -3.013 7.768 5.782) 10.142 27.315 ( 4.103 7.892 5.782) 10.609 27.678 ( -5.444 -4.004 7.313) 9.958 27.678 ( 5.442 -4.004 7.313) 9.956 27.678 ( -5.442 4.004 7.313) 9.956 27.678 ( 5.444 4.004 7.313) 9.958 28.211 ( -3.569 -6.679 -0.117) 7.574 28.211 ( 2.647 -6.571 -0.117) 7.085 28.211 ( -2.647 6.571 -0.117) 7.085 28.211 ( 3.569 6.679 -0.117) 7.574 28.458 ( -3.427 -2.258 -0.373) 4.121 28.458 ( -3.115 -2.142 -0.373) 3.799 28.458 ( 3.115 2.142 -0.373) 3.799 28.458 ( 3.427 2.258 -0.373) 4.121 29.009 ( -0.936 -4.211 1.744) 4.653 29.009 ( 0.868 -4.207 1.744) 4.636 29.009 ( -0.868 4.207 1.744) 4.636 29.009 ( 0.936 4.211 1.744) 4.653 29.352 ( -4.280 -0.676 -3.913) 5.839 29.352 ( -4.220 0.574 -3.913) 5.784 29.352 ( 4.220 -0.574 -3.913) 5.784 29.352 ( 4.280 0.676 -3.913) 5.839 30.107 ( -4.006 -5.702 0.085) 6.969 30.107 ( 0.228 -5.340 0.085) 5.345 30.107 ( -0.228 5.340 0.085) 5.345 30.107 ( 4.006 5.702 0.085) 6.969 31.741 ( -4.402 -10.645 -2.112) 11.711 31.741 ( 1.521 -10.442 -2.112) 10.762 31.741 ( -1.521 10.442 -2.112) 10.762 31.741 ( 4.402 10.645 -2.112) 11.711 32.399 ( -5.272 -9.802 3.882) 11.788 32.399 ( 3.944 -9.645 3.882) 11.120 32.399 ( -3.944 9.645 3.882) 11.120 32.399 ( 5.272 9.802 3.882) 11.788 33.043 ( -2.494 -7.214 -4.398) 8.809 33.043 ( 2.493 -7.214 -4.398) 8.809 33.043 ( -2.493 7.214 -4.398) 8.809 33.043 ( 2.494 7.214 -4.398) 8.809 34.533 ( -10.256 -8.864 -0.953) 13.589 34.533 ( 1.886 -7.292 -0.953) 7.592 34.533 ( -1.886 7.292 -0.953) 7.592 34.533 ( 10.256 8.864 -0.953) 13.589 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 0.000 -37.304) 37.304 2.316 ( 0.000 0.000 37.304) 37.304 2.861 ( 0.000 0.000 -34.896) 34.896 2.861 ( 0.000 0.000 34.896) 34.896 3.686 ( 0.000 0.000 -0.308) 0.308 3.686 ( 0.000 0.000 0.308) 0.308 4.026 ( 0.000 0.000 -2.211) 2.211 4.026 ( 0.000 0.000 2.211) 2.211 4.131 ( 0.000 0.000 -21.399) 21.399 4.131 ( 0.000 0.000 21.399) 21.399 4.408 ( 0.000 0.000 -9.017) 9.017 4.408 ( 0.000 0.000 9.017) 9.017 4.682 ( 0.000 0.000 -9.653) 9.653 4.682 ( 0.000 0.000 9.653) 9.653 4.774 ( 0.000 0.000 -42.384) 42.384 4.774 ( 0.000 0.000 42.384) 42.384 4.929 ( 0.000 0.000 -3.465) 3.465 4.929 ( 0.000 0.000 3.465) 3.465 5.266 ( 0.000 0.000 -5.914) 5.914 5.266 ( 0.000 0.000 5.914) 5.914 5.643 ( 0.000 0.000 -7.838) 7.838 5.643 ( 0.000 0.000 7.838) 7.838 6.020 ( 0.000 0.000 -5.315) 5.315 6.020 ( 0.000 0.000 5.315) 5.315 6.130 ( 0.000 0.000 -17.192) 17.192 6.130 ( 0.000 0.000 17.192) 17.192 6.232 ( 0.000 0.000 -11.319) 11.319 6.232 ( 0.000 0.000 11.319) 11.319 6.395 ( 0.000 0.000 -23.803) 23.803 6.395 ( 0.000 0.000 23.803) 23.803 6.940 ( 0.000 0.000 -18.968) 18.968 6.940 ( 0.000 0.000 18.968) 18.968 6.967 ( 0.000 0.000 -0.433) 0.433 6.967 ( 0.000 0.000 0.433) 0.433 7.532 ( 0.000 0.000 -11.165) 11.165 7.532 ( 0.000 0.000 11.165) 11.165 7.666 ( 0.000 0.000 -14.232) 14.232 7.666 ( 0.000 0.000 14.232) 14.232 7.831 ( 0.000 0.000 -15.967) 15.967 7.831 ( 0.000 0.000 15.967) 15.967 8.340 ( 0.000 0.000 -5.018) 5.018 8.340 ( 0.000 0.000 5.018) 5.018 8.961 ( 0.000 0.000 -29.679) 29.679 8.961 ( 0.000 0.000 29.679) 29.679 8.974 ( 0.000 0.000 -9.644) 9.644 8.974 ( 0.000 0.000 9.644) 9.644 9.250 ( 0.000 0.000 -3.492) 3.492 9.250 ( 0.000 0.000 3.492) 3.492 10.074 ( 0.000 0.000 -19.055) 19.055 10.074 ( 0.000 0.000 19.055) 19.055 10.212 ( 0.000 0.000 -13.543) 13.543 10.212 ( 0.000 0.000 13.543) 13.543 10.356 ( 0.000 0.000 -8.993) 8.993 10.356 ( 0.000 0.000 8.993) 8.993 10.895 ( 0.000 0.000 -4.738) 4.738 10.895 ( 0.000 0.000 4.738) 4.738 11.348 ( 0.000 0.000 -7.844) 7.844 11.348 ( 0.000 0.000 7.844) 7.844 11.675 ( 0.000 0.000 -13.830) 13.830 11.675 ( 0.000 0.000 13.830) 13.830 12.017 ( 0.000 0.000 -5.881) 5.881 12.017 ( 0.000 0.000 5.881) 5.881 12.208 ( 0.000 0.000 -4.811) 4.811 12.208 ( 0.000 0.000 4.811) 4.811 12.605 ( 0.000 0.000 -4.540) 4.540 12.605 ( 0.000 0.000 4.540) 4.540 12.846 ( 0.000 0.000 -7.693) 7.693 12.846 ( 0.000 0.000 7.693) 7.693 13.206 ( 0.000 0.000 -8.067) 8.067 13.206 ( 0.000 0.000 8.067) 8.067 13.332 ( 0.000 0.000 -16.291) 16.291 13.332 ( 0.000 0.000 16.291) 16.291 13.677 ( 0.000 0.000 -19.494) 19.494 13.677 ( 0.000 0.000 19.494) 19.494 14.453 ( 0.000 0.000 -8.292) 8.292 14.453 ( 0.000 0.000 8.292) 8.292 15.464 ( 0.000 0.000 -12.048) 12.048 15.464 ( 0.000 0.000 12.048) 12.048 15.639 ( 0.000 0.000 -20.681) 20.681 15.639 ( 0.000 0.000 20.681) 20.681 16.261 ( 0.000 0.000 -14.232) 14.232 16.261 ( 0.000 0.000 14.232) 14.232 16.263 ( 0.000 0.000 -5.489) 5.489 16.263 ( 0.000 0.000 5.489) 5.489 17.108 ( 0.000 0.000 -13.017) 13.017 17.108 ( 0.000 0.000 13.017) 13.017 17.613 ( 0.000 0.000 -3.912) 3.912 17.613 ( 0.000 0.000 3.912) 3.912 17.980 ( 0.000 0.000 -3.595) 3.595 17.980 ( 0.000 0.000 3.595) 3.595 18.093 ( 0.000 0.000 -3.149) 3.149 18.093 ( 0.000 0.000 3.149) 3.149 18.392 ( 0.000 0.000 -0.761) 0.761 18.392 ( 0.000 0.000 0.761) 0.761 19.381 ( 0.000 0.000 -5.670) 5.670 19.381 ( 0.000 0.000 5.670) 5.670 19.817 ( 0.000 0.000 -6.979) 6.979 19.817 ( 0.000 0.000 6.979) 6.979 20.785 ( 0.000 0.000 -17.853) 17.853 20.785 ( 0.000 0.000 17.853) 17.853 21.312 ( 0.000 0.000 -0.438) 0.438 21.312 ( 0.000 0.000 0.438) 0.438 22.524 ( 0.000 0.000 -13.196) 13.196 22.524 ( 0.000 0.000 13.196) 13.196 23.933 ( 0.000 0.000 -31.644) 31.644 23.933 ( 0.000 0.000 31.644) 31.644 24.770 ( 0.000 0.000 -23.931) 23.931 24.770 ( 0.000 0.000 23.931) 23.931 25.732 ( 0.000 0.000 -7.576) 7.576 25.732 ( 0.000 0.000 7.576) 7.576 26.390 ( 0.000 0.000 -4.352) 4.352 26.390 ( 0.000 0.000 4.352) 4.352 26.452 ( 0.000 0.000 -18.576) 18.576 26.452 ( 0.000 0.000 18.576) 18.576 27.457 ( 0.000 0.000 -11.067) 11.067 27.457 ( 0.000 0.000 11.067) 11.067 27.697 ( 0.000 0.000 -14.336) 14.336 27.697 ( 0.000 0.000 14.336) 14.336 27.722 ( 0.000 0.000 -8.961) 8.961 27.722 ( 0.000 0.000 8.961) 8.961 27.794 ( 0.000 0.000 -6.251) 6.251 27.794 ( 0.000 0.000 6.251) 6.251 28.427 ( 0.000 0.000 -3.846) 3.846 28.427 ( 0.000 0.000 3.846) 3.846 28.667 ( 0.000 0.000 -14.818) 14.818 28.667 ( 0.000 0.000 14.818) 14.818 28.744 ( 0.000 0.000 -3.155) 3.155 28.744 ( 0.000 0.000 3.155) 3.155 28.925 ( 0.000 0.000 -0.235) 0.235 28.925 ( 0.000 0.000 0.235) 0.235 29.011 ( 0.000 0.000 -5.448) 5.448 29.011 ( 0.000 0.000 5.448) 5.448 29.583 ( 0.000 0.000 -3.559) 3.559 29.583 ( 0.000 0.000 3.559) 3.559 29.829 ( 0.000 0.000 -0.262) 0.262 29.829 ( 0.000 0.000 0.262) 0.262 30.150 ( 0.000 0.000 -0.601) 0.601 30.150 ( 0.000 0.000 0.601) 0.601 30.337 ( 0.000 0.000 -7.795) 7.795 30.337 ( 0.000 0.000 7.795) 7.795 31.593 ( 0.000 0.000 -24.474) 24.474 31.593 ( 0.000 0.000 24.474) 24.474 31.597 ( 0.000 0.000 -10.100) 10.100 31.597 ( 0.000 0.000 10.100) 10.100 32.616 ( 0.000 0.000 -4.603) 4.603 32.616 ( 0.000 0.000 4.603) 4.603 32.896 ( 0.000 0.000 -1.462) 1.462 32.896 ( 0.000 0.000 1.462) 1.462 32.907 ( 0.000 0.000 -3.899) 3.899 32.907 ( 0.000 0.000 3.899) 3.899 33.110 ( 0.000 0.000 -3.723) 3.723 33.110 ( 0.000 0.000 3.723) 3.723 33.797 ( 0.000 0.000 -7.176) 7.176 33.797 ( 0.000 0.000 7.176) 7.176 34.571 ( 0.000 0.000 -4.338) 4.338 34.571 ( 0.000 0.000 4.338) 4.338 ======================= Grid point 149 (50/64) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 10.576 0.000 -35.377) 36.924 2.431 ( 10.576 0.000 35.377) 36.924 2.998 ( 11.990 0.000 -34.987) 36.984 2.998 ( 11.990 0.000 34.987) 36.984 3.695 ( 0.722 0.000 -1.630) 1.783 3.695 ( 0.722 0.000 1.630) 1.783 3.988 ( -2.992 0.000 -4.286) 5.227 3.988 ( -2.992 0.000 4.286) 5.227 4.171 ( 2.660 0.000 -18.430) 18.621 4.171 ( 2.660 0.000 18.430) 18.621 4.376 ( -3.296 0.000 -5.019) 6.004 4.376 ( -3.296 0.000 5.019) 6.004 4.625 ( -5.191 0.000 -8.822) 10.237 4.625 ( -5.191 0.000 8.822) 10.237 4.851 ( 6.033 0.000 -33.030) 33.576 4.851 ( 6.033 0.000 33.030) 33.576 4.975 ( 3.408 0.000 -11.456) 11.952 4.975 ( 3.408 0.000 11.456) 11.952 5.214 ( -3.544 0.000 -5.696) 6.708 5.214 ( -3.544 0.000 5.696) 6.708 5.619 ( -4.496 0.000 -8.241) 9.388 5.619 ( -4.496 0.000 8.241) 9.388 5.790 ( -16.808 0.000 -3.732) 17.218 5.790 ( -16.808 0.000 3.732) 17.218 5.896 ( -6.508 0.000 -2.496) 6.970 5.896 ( -6.508 0.000 2.496) 6.970 6.377 ( 3.619 0.000 -11.929) 12.466 6.377 ( 3.619 0.000 11.929) 12.466 6.421 ( 3.042 0.000 -17.274) 17.540 6.421 ( 3.042 0.000 17.274) 17.540 7.020 ( -1.565 0.000 -11.053) 11.163 7.020 ( -1.565 0.000 11.053) 11.163 7.100 ( 8.039 0.000 -2.324) 8.368 7.100 ( 8.039 0.000 2.324) 8.368 7.307 ( -6.844 0.000 -3.631) 7.748 7.307 ( -6.844 0.000 3.631) 7.748 7.823 ( -0.472 0.000 -16.407) 16.413 7.823 ( -0.472 0.000 16.407) 16.413 7.921 ( 16.657 0.000 -6.750) 17.973 7.921 ( 16.657 0.000 6.750) 17.973 8.408 ( 6.074 0.000 -3.555) 7.037 8.408 ( 6.074 0.000 3.555) 7.037 8.952 ( -2.127 0.000 -8.515) 8.777 8.952 ( -2.127 0.000 8.515) 8.777 9.094 ( 10.022 0.000 -22.672) 24.788 9.094 ( 10.022 0.000 22.672) 24.788 9.123 ( -10.115 0.000 -5.841) 11.680 9.123 ( -10.115 0.000 5.841) 11.680 10.020 ( -3.969 0.000 -13.339) 13.917 10.020 ( -3.969 0.000 13.339) 13.917 10.236 ( 1.075 0.000 -12.342) 12.389 10.236 ( 1.075 0.000 12.342) 12.389 10.463 ( 9.573 0.000 -11.356) 14.853 10.463 ( 9.573 0.000 11.356) 14.853 10.816 ( -8.634 0.000 -16.434) 18.564 10.816 ( -8.634 0.000 16.434) 18.564 11.236 ( -6.211 0.000 -4.082) 7.433 11.236 ( -6.211 0.000 4.082) 7.433 11.627 ( -3.981 0.000 -14.404) 14.944 11.627 ( -3.981 0.000 14.404) 14.944 12.115 ( -7.499 0.000 -6.547) 9.955 12.115 ( -7.499 0.000 6.547) 9.955 12.209 ( 14.479 0.000 -5.585) 15.519 12.209 ( 14.479 0.000 5.585) 15.519 12.589 ( -0.939 0.000 -2.274) 2.460 12.589 ( -0.939 0.000 2.274) 2.460 12.855 ( 0.552 0.000 -9.222) 9.239 12.855 ( 0.552 0.000 9.222) 9.239 13.104 ( -6.729 0.000 -8.408) 10.769 13.104 ( -6.729 0.000 8.408) 10.769 13.412 ( 5.807 0.000 -12.673) 13.940 13.412 ( 5.807 0.000 12.673) 13.940 13.585 ( -8.482 0.000 -18.317) 20.185 13.585 ( -8.482 0.000 18.317) 20.185 14.412 ( -3.860 0.000 -9.026) 9.817 14.412 ( -3.860 0.000 9.026) 9.817 15.515 ( 4.077 0.000 -11.414) 12.121 15.515 ( 4.077 0.000 11.414) 12.121 15.686 ( 4.188 0.000 -19.861) 20.298 15.686 ( 4.188 0.000 19.861) 20.298 16.192 ( -6.115 0.000 -7.524) 9.695 16.192 ( -6.115 0.000 7.524) 9.695 16.246 ( -1.414 0.000 -14.873) 14.941 16.246 ( -1.414 0.000 14.873) 14.941 17.131 ( 1.948 0.000 -10.562) 10.741 17.131 ( 1.948 0.000 10.562) 10.741 17.613 ( -0.120 0.000 -3.359) 3.361 17.613 ( -0.120 0.000 3.359) 3.361 17.973 ( -0.595 0.000 -2.316) 2.391 17.973 ( -0.595 0.000 2.316) 2.391 18.094 ( 0.185 0.000 -2.610) 2.616 18.094 ( 0.185 0.000 2.610) 2.616 18.380 ( -0.805 0.000 -1.142) 1.397 18.380 ( -0.805 0.000 1.142) 1.397 19.474 ( 6.966 0.000 -3.160) 7.649 19.474 ( 6.966 0.000 3.160) 7.649 19.872 ( 5.200 0.000 -7.063) 8.770 19.872 ( 5.200 0.000 7.063) 8.770 20.767 ( -1.246 0.000 -15.680) 15.729 20.767 ( -1.246 0.000 15.680) 15.729 21.203 ( -9.888 0.000 -3.739) 10.571 21.203 ( -9.888 0.000 3.739) 10.571 22.536 ( 1.071 0.000 -11.019) 11.070 22.536 ( 1.071 0.000 11.019) 11.070 23.948 ( 1.430 0.000 -27.820) 27.857 23.948 ( 1.430 0.000 27.820) 27.857 24.766 ( -0.666 0.000 -20.078) 20.090 24.766 ( -0.666 0.000 20.078) 20.090 25.777 ( 4.158 0.000 -8.273) 9.259 25.777 ( 4.158 0.000 8.273) 9.259 26.404 ( -4.493 0.000 -17.788) 18.347 26.404 ( -4.493 0.000 17.788) 18.347 26.466 ( 7.193 0.000 -3.629) 8.056 26.466 ( 7.193 0.000 3.629) 8.056 27.413 ( -4.123 0.000 -10.281) 11.077 27.413 ( -4.123 0.000 10.281) 11.077 27.727 ( 2.265 0.000 -11.450) 11.672 27.727 ( 2.265 0.000 11.450) 11.672 27.771 ( 4.855 0.000 -6.495) 8.109 27.771 ( 4.855 0.000 6.495) 8.109 27.801 ( 0.759 0.000 -5.512) 5.564 27.801 ( 0.759 0.000 5.512) 5.564 28.325 ( -6.206 0.000 -2.654) 6.750 28.325 ( -6.206 0.000 2.654) 6.750 28.747 ( 0.339 0.000 -2.482) 2.505 28.747 ( 0.339 0.000 2.482) 2.505 28.809 ( 9.960 0.000 -10.340) 14.357 28.809 ( 9.960 0.000 10.340) 14.357 28.944 ( 1.666 0.000 -0.249) 1.684 28.944 ( 1.666 0.000 0.249) 1.684 29.068 ( 4.750 0.000 -12.125) 13.023 29.068 ( 4.750 0.000 12.125) 13.023 29.559 ( -1.851 0.000 -4.983) 5.316 29.559 ( -1.851 0.000 4.983) 5.316 29.810 ( -1.703 0.000 -1.486) 2.260 29.810 ( -1.703 0.000 1.486) 2.260 30.135 ( -1.306 0.000 -0.699) 1.482 30.135 ( -1.306 0.000 0.699) 1.482 30.197 ( -12.099 0.000 -5.798) 13.417 30.197 ( -12.099 0.000 5.798) 13.417 31.617 ( 1.640 0.000 -9.685) 9.822 31.617 ( 1.640 0.000 9.685) 9.822 31.626 ( 3.068 0.000 -22.726) 22.932 31.626 ( 3.068 0.000 22.726) 22.932 32.538 ( -6.087 0.000 -8.822) 10.718 32.538 ( -6.087 0.000 8.822) 10.718 32.664 ( -14.811 0.000 -6.023) 15.989 32.664 ( -14.811 0.000 6.023) 15.989 32.988 ( 7.499 0.000 -4.602) 8.798 32.988 ( 7.499 0.000 4.602) 8.798 33.287 ( 9.219 0.000 -1.940) 9.421 33.287 ( 9.219 0.000 1.940) 9.421 33.743 ( -5.103 0.000 -7.005) 8.666 33.743 ( -5.103 0.000 7.005) 8.666 34.610 ( 2.897 0.000 -6.315) 6.948 34.610 ( 2.897 0.000 6.315) 6.948 ======================= Grid point 151 (51/64) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 14.483 0.000 -27.060) 30.692 2.710 ( 14.483 0.000 27.060) 30.692 3.285 ( 13.713 0.000 -29.966) 32.955 3.285 ( 13.713 0.000 29.966) 32.955 3.698 ( -0.492 0.000 -2.176) 2.230 3.698 ( -0.492 0.000 2.176) 2.230 3.941 ( -0.958 0.000 -3.754) 3.874 3.941 ( -0.958 0.000 3.754) 3.874 4.143 ( -7.241 0.000 -10.788) 12.993 4.143 ( -7.241 0.000 10.788) 12.993 4.256 ( -8.439 0.000 -5.391) 10.014 4.256 ( -8.439 0.000 5.391) 10.014 4.553 ( 1.149 0.000 -7.397) 7.486 4.553 ( 1.149 0.000 7.397) 7.486 4.939 ( -8.209 0.000 -8.272) 11.654 4.939 ( -8.209 0.000 8.272) 11.654 4.956 ( 4.599 0.000 -5.162) 6.914 4.956 ( 4.599 0.000 5.162) 6.914 5.213 ( 3.619 0.000 -10.806) 11.396 5.213 ( 3.619 0.000 10.806) 11.396 5.416 ( -12.557 0.000 -5.545) 13.727 5.416 ( -12.557 0.000 5.545) 13.727 5.693 ( 9.346 0.000 -10.337) 13.935 5.693 ( 9.346 0.000 10.337) 13.935 5.875 ( 2.056 0.000 -5.829) 6.181 5.875 ( 2.056 0.000 5.829) 6.181 6.356 ( -7.834 0.000 -6.784) 10.363 6.356 ( -7.834 0.000 6.784) 10.363 6.531 ( 8.212 0.000 -12.698) 15.122 6.531 ( 8.212 0.000 12.698) 15.122 6.771 ( -12.002 0.000 -4.972) 12.991 6.771 ( -12.002 0.000 4.972) 12.991 7.126 ( -7.400 0.000 -8.208) 11.051 7.126 ( -7.400 0.000 8.208) 11.051 7.367 ( 5.002 0.000 -13.555) 14.449 7.367 ( 5.002 0.000 13.555) 14.449 7.874 ( 6.639 0.000 -8.352) 10.669 7.874 ( 6.639 0.000 8.352) 10.669 8.291 ( 17.073 0.000 -9.136) 19.364 8.291 ( 17.073 0.000 9.136) 19.364 8.531 ( 3.529 0.000 -4.676) 5.859 8.531 ( 3.529 0.000 4.676) 5.859 8.854 ( -7.240 0.000 -6.038) 9.428 8.854 ( -7.240 0.000 6.038) 9.428 8.959 ( -3.429 0.000 -7.309) 8.074 8.959 ( -3.429 0.000 7.309) 8.074 9.237 ( 1.711 0.000 -12.991) 13.103 9.237 ( 1.711 0.000 12.991) 13.103 9.993 ( 3.038 0.000 -6.539) 7.211 9.993 ( 3.038 0.000 6.539) 7.211 10.256 ( 0.998 0.000 -6.546) 6.622 10.256 ( 0.998 0.000 6.546) 6.622 10.556 ( -14.243 0.000 -25.848) 29.513 10.556 ( -14.243 0.000 25.848) 29.513 10.654 ( 6.727 0.000 -4.928) 8.339 10.654 ( 6.727 0.000 4.928) 8.339 11.172 ( -0.799 0.000 -6.319) 6.369 11.172 ( -0.799 0.000 6.319) 6.369 11.549 ( -2.706 0.000 -11.662) 11.972 11.549 ( -2.706 0.000 11.662) 11.972 11.982 ( -3.849 0.000 -4.939) 6.262 11.982 ( -3.849 0.000 4.939) 6.262 12.422 ( 2.015 0.000 -8.736) 8.965 12.422 ( 2.015 0.000 8.736) 8.965 12.680 ( 13.199 0.000 -10.111) 16.627 12.680 ( 13.199 0.000 10.111) 16.627 12.819 ( -4.244 0.000 -7.364) 8.499 12.819 ( -4.244 0.000 7.364) 8.499 13.031 ( 0.298 0.000 -3.113) 3.127 13.031 ( 0.298 0.000 3.113) 3.127 13.347 ( -13.930 0.000 -15.052) 20.508 13.347 ( -13.930 0.000 15.052) 20.508 13.530 ( 4.767 0.000 -8.823) 10.029 13.530 ( 4.767 0.000 8.823) 10.029 14.311 ( -5.049 0.000 -7.641) 9.158 14.311 ( -5.049 0.000 7.641) 9.158 15.601 ( 3.854 0.000 -9.240) 10.012 15.601 ( 3.854 0.000 9.240) 10.012 15.786 ( 4.675 0.000 -15.166) 15.870 15.786 ( 4.675 0.000 15.166) 15.870 16.051 ( -6.462 0.000 -8.165) 10.413 16.051 ( -6.462 0.000 8.165) 10.413 16.207 ( -2.096 0.000 -12.881) 13.050 16.207 ( -2.096 0.000 12.881) 13.050 17.172 ( 1.656 0.000 -5.509) 5.753 17.172 ( 1.656 0.000 5.509) 5.753 17.606 ( -0.463 0.000 -1.952) 2.007 17.606 ( -0.463 0.000 1.952) 2.007 17.961 ( -0.475 0.000 -0.694) 0.841 17.961 ( -0.475 0.000 0.694) 0.841 18.102 ( 0.484 0.000 -1.343) 1.427 18.102 ( 0.484 0.000 1.343) 1.427 18.368 ( -0.340 0.000 -0.844) 0.910 18.368 ( -0.340 0.000 0.844) 0.910 19.590 ( 3.417 0.000 -0.341) 3.434 19.590 ( 3.417 0.000 0.341) 3.434 20.018 ( 8.011 0.000 -6.253) 10.162 20.018 ( 8.011 0.000 6.253) 10.162 20.751 ( -0.269 0.000 -9.554) 9.558 20.751 ( -0.269 0.000 9.554) 9.558 20.953 ( -12.497 0.000 -4.942) 13.439 20.953 ( -12.497 0.000 4.942) 13.439 22.561 ( 1.090 0.000 -6.143) 6.239 22.561 ( 1.090 0.000 6.143) 6.239 23.987 ( 1.971 0.000 -17.107) 17.220 23.987 ( 1.971 0.000 17.107) 17.220 24.738 ( -1.750 0.000 -11.671) 11.801 24.738 ( -1.750 0.000 11.671) 11.801 25.889 ( 6.130 0.000 -9.354) 11.184 25.889 ( 6.130 0.000 9.354) 11.184 26.282 ( -6.705 0.000 -14.862) 16.304 26.282 ( -6.705 0.000 14.862) 16.304 26.667 ( 11.197 0.000 -2.457) 11.464 26.667 ( 11.197 0.000 2.457) 11.464 27.290 ( -7.517 0.000 -7.996) 10.975 27.290 ( -7.517 0.000 7.996) 10.975 27.767 ( 1.367 0.000 -4.249) 4.464 27.767 ( 1.367 0.000 4.249) 4.464 27.826 ( 1.312 0.000 -2.854) 3.141 27.826 ( 1.312 0.000 2.854) 3.141 27.914 ( 8.203 0.000 -1.175) 8.286 27.914 ( 8.203 0.000 1.175) 8.286 28.209 ( -5.270 0.000 -6.433) 8.316 28.209 ( -5.270 0.000 6.433) 8.316 28.757 ( 0.487 0.000 -1.319) 1.405 28.757 ( 0.487 0.000 1.319) 1.405 28.982 ( 1.685 0.000 -0.319) 1.715 28.982 ( 1.685 0.000 0.319) 1.715 29.015 ( 8.270 0.000 -9.489) 12.587 29.015 ( 8.270 0.000 9.489) 12.587 29.168 ( 5.492 0.000 -16.328) 17.227 29.168 ( 5.492 0.000 16.328) 17.227 29.519 ( -2.683 0.000 -7.823) 8.270 29.519 ( -2.683 0.000 7.823) 8.270 29.770 ( -1.803 0.000 -1.608) 2.416 29.770 ( -1.803 0.000 1.608) 2.416 29.920 ( -12.212 0.000 -4.157) 12.900 29.920 ( -12.212 0.000 4.157) 12.900 30.105 ( -1.324 0.000 -0.663) 1.480 30.105 ( -1.324 0.000 0.663) 1.480 31.654 ( 1.821 0.000 -6.738) 6.979 31.654 ( 1.821 0.000 6.738) 6.979 31.706 ( 4.054 0.000 -15.929) 16.437 31.706 ( 4.054 0.000 15.929) 16.437 32.392 ( -10.463 0.000 -5.867) 11.996 32.392 ( -10.463 0.000 5.867) 11.996 32.407 ( -5.764 0.000 -8.679) 10.419 32.407 ( -5.764 0.000 8.679) 10.419 33.173 ( 10.001 0.000 -5.250) 11.296 33.173 ( 10.001 0.000 5.250) 11.296 33.435 ( 5.041 0.000 -1.839) 5.366 33.435 ( 5.041 0.000 1.839) 5.366 33.595 ( -8.889 0.000 -6.527) 11.028 33.595 ( -8.889 0.000 6.527) 11.028 34.656 ( 1.191 0.000 -5.724) 5.846 34.656 ( 1.191 0.000 5.724) 5.846 ======================= Grid point 153 (52/64) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 -0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 -0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 -0.000) 0.000 3.936 ( -0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 -0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.622 ( -0.000 0.000 -0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 -0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.205 ( -0.000 0.000 -0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 -0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 -0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 6.002 ( -0.000 0.000 -0.000) 0.000 6.002 ( -0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 -0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.706 ( -0.000 0.000 -0.000) 0.000 6.706 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.503 ( -0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 -0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 -0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.351 ( -0.000 0.000 -0.000) 0.000 10.351 ( -0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 -0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 -0.000) 0.000 11.523 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 -0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 -0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 0.000 0.000) 0.000 12.974 ( 0.000 0.000 -0.000) 0.000 12.974 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 13.066 ( -0.000 0.000 -0.000) 0.000 13.066 ( -0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 -0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 15.843 ( 0.000 0.000 -0.000) 0.000 15.843 ( 0.000 0.000 0.000) 0.000 15.972 ( 0.000 0.000 0.000) 0.000 15.972 ( 0.000 0.000 0.000) 0.000 16.179 ( 0.000 0.000 -0.000) 0.000 16.179 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 17.600 ( 0.000 0.000 0.000) 0.000 17.600 ( 0.000 0.000 0.000) 0.000 17.956 ( 0.000 0.000 -0.000) 0.000 17.956 ( 0.000 0.000 0.000) 0.000 18.108 ( 0.000 0.000 0.000) 0.000 18.108 ( 0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 19.622 ( 0.000 0.000 -0.000) 0.000 19.622 ( 0.000 0.000 0.000) 0.000 20.128 ( 0.000 0.000 0.000) 0.000 20.128 ( 0.000 0.000 0.000) 0.000 20.750 ( 0.000 0.000 0.000) 0.000 20.750 ( 0.000 0.000 0.000) 0.000 20.792 ( -0.000 0.000 0.000) 0.000 20.792 ( 0.000 0.000 0.000) 0.000 22.573 ( 0.000 0.000 0.000) 0.000 22.573 ( 0.000 0.000 0.000) 0.000 24.011 ( 0.000 0.000 -0.000) 0.000 24.011 ( 0.000 0.000 0.000) 0.000 24.715 ( 0.000 0.000 0.000) 0.000 24.715 ( 0.000 0.000 0.000) 0.000 25.980 ( 0.000 0.000 0.000) 0.000 25.980 ( 0.000 0.000 0.000) 0.000 26.184 ( 0.000 0.000 -0.000) 0.000 26.184 ( -0.000 0.000 0.000) 0.000 26.829 ( 0.000 0.000 0.000) 0.000 26.829 ( 0.000 0.000 0.000) 0.000 27.171 ( 0.000 0.000 -0.000) 0.000 27.171 ( 0.000 0.000 0.000) 0.000 27.782 ( 0.000 0.000 -0.000) 0.000 27.782 ( 0.000 0.000 0.000) 0.000 27.841 ( 0.000 0.000 -0.000) 0.000 27.841 ( 0.000 0.000 0.000) 0.000 28.057 ( -0.000 0.000 -0.000) 0.000 28.057 ( -0.000 0.000 0.000) 0.000 28.106 ( 0.000 0.000 0.000) 0.000 28.106 ( 0.000 0.000 0.000) 0.000 28.763 ( 0.000 0.000 0.000) 0.000 28.763 ( 0.000 0.000 0.000) 0.000 29.002 ( 0.000 0.000 0.000) 0.000 29.002 ( 0.000 0.000 0.000) 0.000 29.081 ( 0.000 0.000 -0.000) 0.000 29.081 ( 0.000 0.000 0.000) 0.000 29.334 ( 0.000 0.000 0.000) 0.000 29.334 ( -0.000 0.000 0.000) 0.000 29.404 ( 0.000 0.000 -0.000) 0.000 29.404 ( 0.000 0.000 0.000) 0.000 29.749 ( 0.000 0.000 0.000) 0.000 29.749 ( 0.000 0.000 0.000) 0.000 29.788 ( 0.000 0.000 0.000) 0.000 29.788 ( 0.000 0.000 0.000) 0.000 30.090 ( 0.000 0.000 0.000) 0.000 30.090 ( 0.000 0.000 0.000) 0.000 31.678 ( 0.000 0.000 0.000) 0.000 31.678 ( 0.000 0.000 0.000) 0.000 31.757 ( 0.000 0.000 -0.000) 0.000 31.757 ( 0.000 0.000 0.000) 0.000 32.274 ( 0.000 0.000 0.000) 0.000 32.274 ( 0.000 0.000 0.000) 0.000 32.338 ( 0.000 0.000 0.000) 0.000 32.338 ( 0.000 0.000 0.000) 0.000 33.384 ( -0.000 0.000 -0.000) 0.000 33.384 ( -0.000 0.000 0.000) 0.000 33.394 ( -0.000 0.000 -0.000) 0.000 33.394 ( 0.000 0.000 0.000) 0.000 33.489 ( 0.000 0.000 0.000) 0.000 33.489 ( 0.000 0.000 0.000) 0.000 34.666 ( 0.000 0.000 0.000) 0.000 34.666 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 161 (53/64) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 0.000 25.915 -12.057) 28.582 2.678 ( 0.000 25.915 12.057) 28.582 3.107 ( 0.000 22.996 -16.952) 28.569 3.107 ( 0.000 22.996 16.952) 28.569 3.557 ( 0.000 -10.121 -1.166) 10.188 3.557 ( 0.000 -10.121 1.166) 10.188 4.016 ( 0.000 -0.906 -1.288) 1.575 4.016 ( 0.000 -0.906 1.288) 1.575 4.149 ( 0.000 -1.139 -25.196) 25.222 4.149 ( 0.000 -1.139 25.196) 25.222 4.196 ( 0.000 -8.230 -5.453) 9.873 4.196 ( 0.000 -8.230 5.453) 9.873 4.662 ( 0.000 -1.739 -29.774) 29.825 4.662 ( 0.000 -1.739 29.774) 29.825 4.879 ( 0.000 10.954 -6.217) 12.595 4.879 ( 0.000 10.954 6.217) 12.595 5.250 ( 0.000 13.782 -4.170) 14.399 5.250 ( 0.000 13.782 4.170) 14.399 5.279 ( 0.000 4.183 -0.616) 4.228 5.279 ( 0.000 4.183 0.616) 4.228 5.701 ( 0.000 7.371 -14.125) 15.933 5.701 ( 0.000 7.371 14.125) 15.933 5.885 ( 0.000 -12.192 -9.836) 15.665 5.885 ( 0.000 -12.192 9.836) 15.665 6.057 ( 0.000 -6.401 -6.608) 9.200 6.057 ( 0.000 -6.401 6.608) 9.200 6.276 ( 0.000 -5.596 -15.163) 16.162 6.276 ( 0.000 -5.596 15.163) 16.162 6.314 ( 0.000 -0.711 -5.759) 5.802 6.314 ( 0.000 -0.711 5.759) 5.802 6.806 ( 0.000 -0.679 -9.841) 9.864 6.806 ( 0.000 -0.679 9.841) 9.864 6.952 ( 0.000 -5.687 -7.155) 9.139 6.952 ( 0.000 -5.687 7.155) 9.139 7.484 ( 0.000 -4.218 -3.724) 5.626 7.484 ( 0.000 -4.218 3.724) 5.626 7.583 ( 0.000 -1.443 -14.250) 14.323 7.583 ( 0.000 -1.443 14.250) 14.323 8.008 ( 0.000 5.710 -5.174) 7.705 8.008 ( 0.000 5.710 5.174) 7.705 8.368 ( 0.000 1.513 -6.195) 6.377 8.368 ( 0.000 1.513 6.195) 6.377 8.755 ( 0.000 -13.263 -9.694) 16.428 8.755 ( 0.000 -13.263 9.694) 16.428 9.032 ( 0.000 3.087 -14.345) 14.673 9.032 ( 0.000 3.087 14.345) 14.673 9.349 ( 0.000 -1.765 -7.698) 7.898 9.349 ( 0.000 -1.765 7.698) 7.898 9.664 ( 0.000 -13.191 -10.062) 16.590 9.664 ( 0.000 -13.191 10.062) 16.590 10.301 ( 0.000 3.001 -1.080) 3.189 10.301 ( 0.000 3.001 1.080) 3.189 10.486 ( 0.000 5.476 -0.570) 5.506 10.486 ( 0.000 5.476 0.570) 5.506 11.031 ( 0.000 10.823 -7.100) 12.944 11.031 ( 0.000 10.823 7.100) 12.944 11.420 ( 0.000 -3.486 -3.123) 4.680 11.420 ( 0.000 -3.486 3.123) 4.680 11.580 ( 0.000 0.871 -6.579) 6.637 11.580 ( 0.000 0.871 6.579) 6.637 11.851 ( 0.000 -6.162 -8.003) 10.101 11.851 ( 0.000 -6.162 8.003) 10.101 12.298 ( 0.000 -1.039 -7.719) 7.789 12.298 ( 0.000 -1.039 7.719) 7.789 12.598 ( 0.000 0.114 -1.941) 1.944 12.598 ( 0.000 0.114 1.941) 1.944 13.004 ( 0.000 9.244 -11.842) 15.023 13.004 ( 0.000 9.244 11.842) 15.023 13.183 ( 0.000 -4.601 -10.429) 11.398 13.183 ( 0.000 -4.601 10.429) 11.398 13.267 ( 0.000 3.220 -1.912) 3.745 13.267 ( 0.000 3.220 1.912) 3.745 13.878 ( 0.000 13.100 -13.655) 18.923 13.878 ( 0.000 13.100 13.655) 18.923 14.466 ( 0.000 2.769 -8.119) 8.578 14.466 ( 0.000 2.769 8.119) 8.578 15.396 ( 0.000 -5.608 -9.602) 11.120 15.396 ( 0.000 -5.608 9.602) 11.120 15.691 ( 0.000 3.439 -16.986) 17.330 15.691 ( 0.000 3.439 16.986) 17.330 16.124 ( 0.000 -9.989 -4.499) 10.956 16.124 ( 0.000 -9.989 4.499) 10.956 16.280 ( 0.000 0.778 -9.602) 9.634 16.280 ( 0.000 0.778 9.602) 9.634 17.085 ( 0.000 -1.173 -8.843) 8.921 17.085 ( 0.000 -1.173 8.843) 8.921 17.672 ( 0.000 0.568 -2.565) 2.627 17.672 ( 0.000 0.568 2.565) 2.627 17.834 ( 0.000 -10.667 -1.625) 10.791 17.834 ( 0.000 -10.667 1.625) 10.791 18.056 ( 0.000 -2.869 -0.490) 2.910 18.056 ( 0.000 -2.869 0.490) 2.910 18.326 ( 0.000 -2.881 -0.598) 2.943 18.326 ( 0.000 -2.881 0.598) 2.943 19.257 ( 0.000 -10.946 -0.449) 10.955 19.257 ( 0.000 -10.946 0.449) 10.955 19.911 ( 0.000 8.188 -11.319) 13.970 19.911 ( 0.000 8.188 11.319) 13.970 20.939 ( 0.000 14.103 -13.682) 19.649 20.939 ( 0.000 14.103 13.682) 19.649 21.442 ( 0.000 8.201 -0.133) 8.202 21.442 ( 0.000 8.201 0.133) 8.202 22.364 ( 0.000 -11.928 -10.138) 15.654 22.364 ( 0.000 -11.928 10.138) 15.654 24.191 ( 0.000 20.686 -26.208) 33.388 24.191 ( 0.000 20.686 26.208) 33.388 24.732 ( 0.000 -3.332 -22.126) 22.376 24.732 ( 0.000 -3.332 22.126) 22.376 25.702 ( 0.000 -2.205 -6.509) 6.872 25.702 ( 0.000 -2.205 6.509) 6.872 26.332 ( 0.000 -9.604 -18.079) 20.471 26.332 ( 0.000 -9.604 18.079) 20.471 26.547 ( 0.000 12.500 -1.287) 12.566 26.547 ( 0.000 12.500 1.287) 12.566 27.488 ( 0.000 2.825 -10.229) 10.612 27.488 ( 0.000 2.825 10.229) 10.612 27.648 ( 0.000 -4.603 -3.740) 5.930 27.648 ( 0.000 -4.603 3.740) 5.930 27.758 ( 0.000 3.951 -10.733) 11.437 27.758 ( 0.000 3.951 10.733) 11.437 27.848 ( 0.000 3.898 -3.600) 5.306 27.848 ( 0.000 3.898 3.600) 5.306 28.397 ( 0.000 -2.670 -4.016) 4.823 28.397 ( 0.000 -2.670 4.016) 4.823 28.618 ( 0.000 -3.850 -8.880) 9.679 28.618 ( 0.000 -3.850 8.880) 9.679 28.764 ( 0.000 -1.228 -4.580) 4.742 28.764 ( 0.000 -1.228 4.580) 4.742 28.843 ( 0.000 -5.335 -1.232) 5.475 28.843 ( 0.000 -5.335 1.232) 5.475 28.988 ( 0.000 -0.253 -2.338) 2.352 28.988 ( 0.000 -0.253 2.338) 2.352 29.513 ( 0.000 -4.876 -1.459) 5.089 29.513 ( 0.000 -4.876 1.459) 5.089 29.783 ( 0.000 -6.012 -3.477) 6.945 29.783 ( 0.000 -6.012 3.477) 6.945 30.065 ( 0.000 -6.165 -7.833) 9.968 30.065 ( 0.000 -6.165 7.833) 9.968 30.321 ( 0.000 -2.855 -1.141) 3.074 30.321 ( 0.000 -2.855 1.141) 3.074 31.452 ( 0.000 -8.148 -8.199) 11.559 31.452 ( 0.000 -8.148 8.199) 11.559 31.696 ( 0.000 7.672 -20.103) 21.517 31.696 ( 0.000 7.672 20.103) 21.517 32.526 ( 0.000 -4.475 -0.429) 4.496 32.526 ( 0.000 -4.475 0.429) 4.496 32.790 ( 0.000 -0.718 -1.913) 2.043 32.790 ( 0.000 -0.718 1.913) 2.043 33.056 ( 0.000 1.105 -1.930) 2.224 33.056 ( 0.000 1.105 1.930) 2.224 33.240 ( 0.000 10.317 -2.505) 10.617 33.240 ( 0.000 10.317 2.505) 10.617 33.782 ( 0.000 -1.766 -12.993) 13.112 33.782 ( 0.000 -1.766 12.993) 13.112 34.702 ( 0.000 10.428 -9.303) 13.975 34.702 ( 0.000 10.428 9.303) 13.975 ======================= Grid point 163 (54/64) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 7.714 24.860 -20.879) 33.369 2.764 ( 7.714 24.860 20.879) 33.369 3.175 ( 6.318 14.693 -25.491) 30.093 3.175 ( 6.318 14.693 25.491) 30.093 3.621 ( 4.959 -4.559 -2.378) 7.143 3.621 ( 4.959 -4.559 2.378) 7.143 3.951 ( -5.389 -3.017 -3.744) 7.222 3.951 ( -5.389 -3.017 3.744) 7.222 4.093 ( -2.147 -5.439 -9.484) 11.142 4.093 ( -2.147 -5.439 9.484) 11.142 4.321 ( 8.228 -0.638 -7.537) 11.177 4.321 ( 8.228 -0.638 7.537) 11.177 4.683 ( -0.727 -0.225 -8.202) 8.237 4.683 ( -0.727 -0.225 8.202) 8.237 4.861 ( -0.945 6.977 -11.823) 13.761 4.861 ( -0.945 6.977 11.823) 13.761 5.169 ( -6.105 4.463 -10.264) 12.749 5.169 ( -6.105 4.463 10.264) 12.749 5.285 ( 0.605 10.465 -3.592) 11.081 5.285 ( 0.605 10.465 3.592) 11.081 5.583 ( -12.062 -3.811 -0.895) 12.682 5.583 ( -12.062 -3.811 0.895) 12.682 5.785 ( -0.934 2.748 -11.752) 12.105 5.785 ( -0.934 2.748 11.752) 12.105 5.916 ( -11.827 0.696 -2.183) 12.047 5.916 ( -11.827 0.696 2.183) 12.047 6.309 ( 6.082 -3.671 -12.826) 14.662 6.309 ( 6.082 -3.671 12.826) 14.662 6.478 ( 6.014 -0.734 -12.505) 13.896 6.478 ( 6.014 -0.734 12.505) 13.896 6.855 ( 3.714 -5.725 -3.769) 7.796 6.855 ( 3.714 -5.725 3.769) 7.796 7.026 ( 2.336 -6.502 -0.624) 6.937 7.026 ( 2.336 -6.502 0.624) 6.937 7.390 ( -3.517 3.431 -3.232) 5.881 7.390 ( -3.517 3.431 3.232) 5.881 7.623 ( 3.786 -8.353 -8.450) 12.470 7.623 ( 3.786 -8.353 8.450) 12.470 8.069 ( 4.240 4.740 -14.657) 15.977 8.069 ( 4.240 4.740 14.657) 15.977 8.397 ( 3.537 -3.335 -6.443) 8.072 8.397 ( 3.537 -3.335 6.443) 8.072 8.755 ( -0.954 -14.392 -7.755) 16.376 8.755 ( -0.954 -14.392 7.755) 16.376 9.091 ( 2.114 2.436 -9.987) 10.495 9.091 ( 2.114 2.436 9.987) 10.495 9.264 ( -6.298 -0.178 -10.679) 12.399 9.264 ( -6.298 -0.178 10.679) 12.399 9.709 ( 5.843 -8.813 -8.991) 13.880 9.709 ( 5.843 -8.813 8.991) 13.880 10.337 ( 1.418 2.603 -6.376) 7.031 10.337 ( 1.418 2.603 6.376) 7.031 10.520 ( 4.311 3.817 -6.418) 8.623 10.520 ( 4.311 3.817 6.418) 8.623 10.916 ( -10.749 7.652 -16.579) 21.188 10.916 ( -10.749 7.652 16.579) 21.188 11.395 ( -2.051 8.849 -4.563) 10.165 11.395 ( -2.051 8.849 4.563) 10.165 11.513 ( -3.434 -6.915 -9.558) 12.286 11.513 ( -3.434 -6.915 9.558) 12.286 11.908 ( 2.838 -5.151 -7.453) 9.494 11.908 ( 2.838 -5.151 7.453) 9.494 12.390 ( 7.417 -2.862 -9.806) 12.624 12.390 ( 7.417 -2.862 9.806) 12.624 12.577 ( -1.106 2.840 -3.062) 4.320 12.577 ( -1.106 2.840 3.062) 4.320 12.978 ( -2.018 6.988 -11.028) 13.210 12.978 ( -2.018 6.988 11.028) 13.210 13.068 ( -7.542 0.385 -11.102) 13.427 13.068 ( -7.542 0.385 11.102) 13.427 13.334 ( 4.436 0.524 -9.552) 10.545 13.334 ( 4.436 0.524 9.552) 10.545 13.832 ( -4.724 14.591 -11.516) 19.179 13.832 ( -4.724 14.591 11.516) 19.179 14.404 ( -5.441 0.680 -9.305) 10.801 14.404 ( -5.441 0.680 9.305) 10.801 15.426 ( 2.548 -6.847 -10.199) 12.545 15.426 ( 2.548 -6.847 10.199) 12.545 15.751 ( 5.124 3.725 -17.013) 18.154 15.751 ( 5.124 3.725 17.013) 18.154 16.049 ( -5.964 -9.587 -7.458) 13.531 16.049 ( -5.964 -9.587 7.458) 13.531 16.279 ( -0.785 1.288 -11.108) 11.210 16.279 ( -0.785 1.288 11.108) 11.210 17.108 ( 2.063 -1.057 -7.484) 7.835 17.108 ( 2.063 -1.057 7.484) 7.835 17.686 ( 1.103 2.159 -2.713) 3.638 17.686 ( 1.103 2.159 2.713) 3.638 17.828 ( -0.630 -10.130 -2.357) 10.420 17.828 ( -0.630 -10.130 2.357) 10.420 18.063 ( 0.693 -3.125 -2.608) 4.129 18.063 ( 0.693 -3.125 2.608) 4.129 18.313 ( -1.198 -3.443 -0.642) 3.701 18.313 ( -1.198 -3.443 0.642) 3.701 19.298 ( 3.112 -13.502 -0.712) 13.874 19.298 ( 3.112 -13.502 0.712) 13.874 19.984 ( 6.677 8.568 -10.331) 14.991 19.984 ( 6.677 8.568 10.331) 14.991 20.937 ( -0.045 14.872 -11.410) 18.745 20.937 ( -0.045 14.872 11.410) 18.745 21.340 ( -9.143 9.223 -3.646) 13.489 21.340 ( -9.143 9.223 3.646) 13.489 22.368 ( 0.308 -12.742 -8.154) 15.131 22.368 ( 0.308 -12.742 8.154) 15.131 24.186 ( -0.125 18.848 -21.750) 28.781 24.186 ( -0.125 18.848 21.750) 28.781 24.753 ( 1.379 -1.187 -16.862) 16.960 24.753 ( 1.379 -1.187 16.862) 16.960 25.742 ( 3.613 -2.610 -7.338) 8.586 25.742 ( 3.613 -2.610 7.338) 8.586 26.294 ( -3.668 -9.331 -17.779) 20.411 26.294 ( -3.668 -9.331 17.779) 20.411 26.606 ( 5.712 11.706 -1.567) 13.119 26.606 ( 5.712 11.706 1.567) 13.119 27.442 ( -3.962 2.425 -9.087) 10.205 27.442 ( -3.962 2.425 9.087) 10.205 27.704 ( 4.682 -3.985 -3.338) 6.996 27.704 ( 4.682 -3.985 3.338) 6.996 27.773 ( 1.268 3.570 -10.120) 10.806 27.773 ( 1.268 3.570 10.120) 10.806 27.870 ( 2.186 4.547 -3.471) 6.124 27.870 ( 2.186 4.547 3.471) 6.124 28.302 ( -5.952 -2.125 -1.241) 6.441 28.302 ( -5.952 -2.125 1.241) 6.441 28.665 ( 2.507 -5.909 -2.752) 6.983 28.665 ( 2.507 -5.909 2.752) 6.983 28.830 ( 3.445 -3.458 -3.289) 5.885 28.830 ( 3.445 -3.458 3.289) 5.885 28.896 ( 5.077 -1.498 -6.811) 8.626 28.896 ( 5.077 -1.498 6.811) 8.626 29.017 ( 3.629 -2.222 -5.284) 6.785 29.017 ( 3.629 -2.222 5.284) 6.785 29.489 ( -2.006 -4.941 -3.679) 6.479 29.489 ( -2.006 -4.941 3.679) 6.479 29.758 ( -2.568 -6.898 -3.032) 7.961 29.758 ( -2.568 -6.898 3.032) 7.961 30.010 ( -4.922 -4.999 -7.060) 9.953 30.010 ( -4.922 -4.999 7.060) 9.953 30.283 ( -2.960 1.493 -1.875) 3.809 30.283 ( -2.960 1.493 1.875) 3.809 31.469 ( 1.477 -8.534 -7.564) 11.499 31.469 ( 1.477 -8.534 7.564) 11.499 31.722 ( 2.433 7.162 -18.947) 20.401 31.722 ( 2.433 7.162 18.947) 20.401 32.459 ( -5.628 -3.070 -4.927) 8.085 32.459 ( -5.628 -3.070 4.927) 8.085 32.752 ( -9.300 4.660 -3.524) 10.983 32.752 ( -9.300 4.660 3.524) 10.983 32.939 ( 0.819 -2.804 -0.716) 3.007 32.939 ( 0.819 -2.804 0.716) 3.007 33.347 ( 4.435 1.258 -5.323) 7.042 33.347 ( 4.435 1.258 5.323) 7.042 33.815 ( 2.274 5.835 -11.468) 13.067 33.815 ( 2.274 5.835 11.468) 13.067 34.692 ( -0.916 7.058 -9.568) 11.925 34.692 ( -0.916 7.058 9.568) 11.925 ======================= Grid point 165 (55/64) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 10.029 19.089 -23.361) 31.792 2.959 ( 10.029 19.089 23.361) 31.792 3.347 ( 9.068 4.840 -25.053) 27.079 3.347 ( 9.068 4.840 25.053) 27.079 3.645 ( -4.865 -3.791 -3.217) 6.957 3.645 ( -4.865 -3.791 3.217) 6.957 3.877 ( 0.007 -2.809 -1.165) 3.041 3.877 ( 0.007 -2.809 1.165) 3.041 4.064 ( -0.239 -2.221 -7.879) 8.190 4.064 ( -0.239 -2.221 7.879) 8.190 4.426 ( -4.206 7.899 -1.601) 9.091 4.426 ( -4.206 7.899 1.601) 9.091 4.654 ( 3.455 6.971 -5.761) 9.681 4.654 ( 3.455 6.971 5.761) 9.681 4.826 ( -0.990 -5.019 -1.105) 5.234 4.826 ( -0.990 -5.019 1.105) 5.234 5.091 ( -2.090 5.089 -8.087) 9.781 5.091 ( -2.090 5.089 8.087) 9.781 5.250 ( -3.449 3.654 -5.120) 7.174 5.250 ( -3.449 3.654 5.120) 7.174 5.371 ( -10.676 0.079 -5.842) 12.170 5.371 ( -10.676 0.079 5.842) 12.170 5.727 ( 6.043 1.758 -5.076) 8.085 5.727 ( 6.043 1.758 5.076) 8.085 5.886 ( 2.125 2.177 -8.594) 9.117 5.886 ( 2.125 2.177 8.594) 9.117 6.344 ( -6.945 -3.419 -8.396) 11.420 6.344 ( -6.945 -3.419 8.396) 11.420 6.570 ( 6.198 4.684 -3.088) 8.360 6.570 ( 6.198 4.684 3.088) 8.360 6.796 ( -4.802 3.027 -3.967) 6.926 6.796 ( -4.802 3.027 3.967) 6.926 7.073 ( 0.472 -5.029 -3.953) 6.414 7.073 ( 0.472 -5.029 3.953) 6.414 7.380 ( -0.823 1.955 -8.034) 8.310 7.380 ( -0.823 1.955 8.034) 8.310 7.793 ( 13.281 -11.340 -2.128) 17.593 7.793 ( 13.281 -11.340 2.128) 17.593 8.144 ( 2.165 -1.644 -9.206) 9.599 8.144 ( 2.165 -1.644 9.206) 9.599 8.476 ( 1.832 -7.499 -6.780) 10.274 8.476 ( 1.832 -7.499 6.780) 10.274 8.715 ( -2.389 -16.718 -5.237) 17.681 8.715 ( -2.389 -16.718 5.237) 17.681 9.031 ( -3.841 2.704 -11.116) 12.067 9.031 ( -3.841 2.704 11.116) 12.067 9.162 ( -4.843 -5.569 -15.205) 16.901 9.162 ( -4.843 -5.569 15.205) 16.901 9.924 ( 13.481 2.998 -16.518) 21.531 9.924 ( 13.481 2.998 16.518) 21.531 10.341 ( -0.724 4.082 -5.212) 6.660 10.341 ( -0.724 4.082 5.212) 6.660 10.581 ( -6.669 4.377 -16.695) 18.503 10.581 ( -6.669 4.377 16.695) 18.503 10.685 ( -3.319 1.424 -9.969) 10.603 10.685 ( -3.319 1.424 9.969) 10.603 11.362 ( -0.486 9.971 -3.565) 10.601 11.362 ( -0.486 9.971 3.565) 10.601 11.466 ( -1.716 -5.069 -6.942) 8.765 11.466 ( -1.716 -5.069 6.942) 8.765 11.970 ( 4.305 1.869 -4.465) 6.478 11.970 ( 4.305 1.869 4.465) 6.478 12.415 ( -5.395 -5.666 -4.239) 8.899 12.415 ( -5.395 -5.666 4.239) 8.899 12.671 ( 8.482 -1.800 -7.400) 11.399 12.671 ( 8.482 -1.800 7.400) 11.399 12.913 ( -5.231 3.317 -7.950) 10.078 12.913 ( -5.231 3.317 7.950) 10.078 12.992 ( 3.117 5.323 -0.831) 6.224 12.992 ( 3.117 5.323 0.831) 6.224 13.395 ( -0.845 5.524 -11.442) 12.733 13.395 ( -0.845 5.524 11.442) 12.733 13.716 ( -4.091 13.753 -5.654) 15.422 13.716 ( -4.091 13.753 5.654) 15.422 14.272 ( -6.391 -2.484 -8.124) 10.630 14.272 ( -6.391 -2.484 8.124) 10.630 15.483 ( 2.568 -8.837 -8.731) 12.685 15.483 ( 2.568 -8.837 8.731) 12.685 15.865 ( 4.204 0.617 -12.248) 12.964 15.865 ( 4.204 0.617 12.248) 12.964 15.929 ( -4.042 -4.821 -5.266) 8.204 15.929 ( -4.042 -4.821 5.266) 8.204 16.241 ( -2.508 1.782 -10.901) 11.327 16.241 ( -2.508 1.782 10.901) 11.327 17.155 ( 2.087 -0.349 -4.199) 4.703 17.155 ( 2.087 -0.349 4.199) 4.703 17.706 ( 0.657 5.840 -2.196) 6.274 17.706 ( 0.657 5.840 2.196) 6.274 17.812 ( -0.704 -10.884 -1.771) 11.050 17.812 ( -0.704 -10.884 1.771) 11.050 18.083 ( 1.082 -2.900 -2.725) 4.124 18.083 ( 1.082 -2.900 2.725) 4.124 18.283 ( -1.505 -5.279 -0.802) 5.548 18.283 ( -1.505 -5.279 0.802) 5.548 19.351 ( 1.647 -16.563 -0.916) 16.669 19.351 ( 1.647 -16.563 0.916) 16.669 20.155 ( 8.623 9.082 -7.125) 14.409 20.155 ( 8.623 9.082 7.125) 14.409 20.938 ( -0.226 14.515 -4.280) 15.135 20.938 ( -0.226 14.515 4.280) 15.135 21.115 ( -10.682 12.835 -3.767) 17.118 21.115 ( -10.682 12.835 3.767) 17.118 22.374 ( 0.257 -14.369 -4.223) 14.979 22.374 ( 0.257 -14.369 4.223) 14.979 24.195 ( 0.846 16.261 -12.570) 20.570 24.195 ( 0.846 16.261 12.570) 20.570 24.767 ( -0.101 2.199 -8.394) 8.678 24.767 ( -0.101 2.199 8.394) 8.678 25.839 ( 5.357 -3.886 -8.819) 11.026 25.839 ( 5.357 -3.886 8.819) 11.026 26.189 ( -5.981 -8.047 -14.952) 18.003 26.189 ( -5.981 -8.047 14.952) 18.003 26.776 ( 9.927 9.487 -2.102) 13.892 26.776 ( 9.927 9.487 2.102) 13.892 27.330 ( -6.775 3.522 -7.546) 10.735 27.330 ( -6.776 3.522 7.546) 10.735 27.782 ( 1.523 -0.142 -2.564) 2.985 27.782 ( 1.523 -0.142 2.564) 2.985 27.825 ( 3.658 0.586 -7.665) 8.513 27.825 ( 3.658 0.586 7.665) 8.513 27.944 ( 5.328 3.467 -1.837) 6.617 27.944 ( 5.328 3.467 1.837) 6.617 28.193 ( -4.855 -1.442 -5.670) 7.603 28.193 ( -4.855 -1.442 5.670) 7.603 28.714 ( 2.342 -5.018 -1.715) 5.798 28.714 ( 2.342 -5.018 1.715) 5.798 28.852 ( -1.599 -8.240 -4.987) 9.763 28.852 ( -1.599 -8.240 4.987) 9.763 29.017 ( 7.320 -1.809 -8.316) 11.226 29.017 ( 7.320 -1.809 8.316) 11.226 29.135 ( 5.788 -2.240 -10.891) 12.536 29.135 ( 5.788 -2.240 10.891) 12.536 29.439 ( -3.154 -5.577 -6.422) 9.071 29.439 ( -3.154 -5.577 6.422) 9.071 29.662 ( -6.372 -9.829 -2.590) 11.997 29.662 ( -6.372 -9.829 2.590) 11.997 29.917 ( -2.628 2.145 -4.832) 5.904 29.917 ( -2.628 2.145 4.832) 5.904 30.225 ( -2.281 5.779 -1.187) 6.325 30.225 ( -2.281 5.779 1.187) 6.325 31.504 ( 1.604 -8.941 -4.893) 10.318 31.504 ( 1.604 -8.941 4.893) 10.318 31.787 ( 3.379 6.051 -13.561) 15.229 31.787 ( 3.379 6.051 13.561) 15.229 32.326 ( -6.327 -1.851 -4.999) 8.273 32.326 ( -6.327 -1.851 4.999) 8.273 32.525 ( -9.102 6.103 -6.117) 12.551 32.525 ( -9.102 6.103 6.117) 12.551 33.051 ( 6.996 -7.646 -0.941) 10.406 33.051 ( 6.996 -7.646 0.941) 10.406 33.379 ( -1.226 -4.988 -5.291) 7.374 33.379 ( -1.226 -4.988 5.291) 7.374 33.850 ( 1.109 16.958 -7.502) 18.576 33.850 ( 1.109 16.958 7.502) 18.576 34.667 ( -1.333 1.308 -7.083) 7.325 34.667 ( -1.333 1.308 7.083) 7.325 ======================= Grid point 167 (56/64) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 0.000 15.030 -0.000) 15.030 3.098 ( 0.000 15.030 0.000) 15.030 3.466 ( -0.000 1.922 -0.000) 1.922 3.466 ( 0.000 1.922 0.000) 1.922 3.529 ( 0.000 -8.493 0.000) 8.493 3.529 ( 0.000 -8.493 0.000) 8.493 3.946 ( 0.000 2.583 0.000) 2.583 3.946 ( 0.000 2.583 0.000) 2.583 4.047 ( 0.000 -3.622 0.000) 3.622 4.047 ( 0.000 -3.622 0.000) 3.622 4.278 ( 0.000 12.601 0.000) 12.601 4.278 ( 0.000 12.601 0.000) 12.601 4.753 ( -0.000 8.165 -0.000) 8.165 4.753 ( 0.000 8.165 0.000) 8.165 4.834 ( 0.000 0.508 -0.000) 0.508 4.834 ( 0.000 0.508 0.000) 0.508 5.086 ( 0.000 2.631 0.000) 2.631 5.086 ( 0.000 2.631 0.000) 2.631 5.158 ( -0.000 -2.369 -0.000) 2.369 5.158 ( 0.000 -2.369 0.000) 2.369 5.246 ( 0.000 1.865 -0.000) 1.865 5.246 ( 0.000 1.865 0.000) 1.865 5.893 ( 0.000 -0.720 0.000) 0.720 5.893 ( -0.000 -0.720 0.000) 0.720 5.953 ( -0.000 -2.975 0.000) 2.975 5.953 ( -0.000 -2.975 0.000) 2.975 6.123 ( 0.000 2.839 0.000) 2.839 6.123 ( 0.000 2.839 0.000) 2.839 6.695 ( 0.000 4.937 0.000) 4.937 6.695 ( 0.000 4.937 0.000) 4.937 6.754 ( 0.000 3.173 -0.000) 3.173 6.754 ( -0.000 3.173 0.000) 3.173 7.024 ( 0.000 5.883 0.000) 5.883 7.024 ( 0.000 5.883 0.000) 5.883 7.369 ( 0.000 -3.596 0.000) 3.596 7.369 ( 0.000 -3.596 0.000) 3.596 8.068 ( 0.000 5.370 -0.000) 5.370 8.068 ( 0.000 5.370 0.000) 5.370 8.079 ( -0.000 -22.948 -0.000) 22.948 8.079 ( -0.000 -22.948 0.000) 22.948 8.470 ( 0.000 -5.726 0.000) 5.726 8.470 ( 0.000 -5.726 0.000) 5.726 8.685 ( 0.000 -18.236 -0.000) 18.236 8.685 ( 0.000 -18.236 0.000) 18.236 9.034 ( -0.000 -15.420 -0.000) 15.420 9.034 ( -0.000 -15.420 0.000) 15.420 9.065 ( 0.000 9.429 -0.000) 9.429 9.065 ( 0.000 9.429 0.000) 9.429 10.171 ( 0.000 10.217 -0.000) 10.217 10.171 ( 0.000 10.217 0.000) 10.217 10.257 ( 0.000 2.661 -0.000) 2.661 10.257 ( -0.000 2.661 0.000) 2.661 10.435 ( 0.000 5.659 -0.000) 5.659 10.435 ( 0.000 5.659 0.000) 5.659 10.696 ( 0.000 -2.914 -0.000) 2.914 10.696 ( 0.000 -2.914 0.000) 2.914 11.370 ( 0.000 11.513 0.000) 11.513 11.370 ( 0.000 11.513 0.000) 11.513 11.438 ( 0.000 -5.966 -0.000) 5.966 11.438 ( 0.000 -5.966 -0.000) 5.966 12.052 ( 0.000 9.483 0.000) 9.483 12.052 ( 0.000 9.483 0.000) 9.483 12.315 ( 0.000 -8.836 -0.000) 8.836 12.315 ( 0.000 -8.836 0.000) 8.836 12.792 ( 0.000 -13.084 -0.000) 13.084 12.792 ( 0.000 -13.084 -0.000) 13.084 12.823 ( -0.000 4.015 0.000) 4.015 12.823 ( 0.000 4.015 0.000) 4.015 13.094 ( 0.000 9.707 -0.000) 9.707 13.094 ( 0.000 9.707 0.000) 9.707 13.316 ( -0.000 12.586 -0.000) 12.586 13.316 ( 0.000 12.586 0.000) 12.586 13.696 ( 0.000 11.046 0.000) 11.046 13.696 ( 0.000 11.046 0.000) 11.046 14.192 ( 0.000 -4.500 0.000) 4.500 14.192 ( 0.000 -4.500 0.000) 4.500 15.515 ( 0.000 -9.982 -0.000) 9.982 15.515 ( 0.000 -9.982 0.000) 9.982 15.853 ( 0.000 -9.859 0.000) 9.859 15.853 ( 0.000 -9.859 0.000) 9.859 15.946 ( 0.000 7.322 -0.000) 7.322 15.946 ( 0.000 7.322 0.000) 7.322 16.205 ( 0.000 1.427 -0.000) 1.427 16.205 ( 0.000 1.427 0.000) 1.427 17.179 ( 0.000 0.213 0.000) 0.213 17.179 ( 0.000 0.213 0.000) 0.213 17.712 ( 0.000 8.145 0.000) 8.145 17.712 ( 0.000 8.145 0.000) 8.145 17.804 ( 0.000 -12.244 -0.000) 12.244 17.804 ( 0.000 -12.244 0.000) 12.244 18.097 ( 0.000 -2.221 0.000) 2.221 18.097 ( 0.000 -2.221 0.000) 2.221 18.264 ( 0.000 -6.745 0.000) 6.745 18.264 ( 0.000 -6.745 0.000) 6.745 19.367 ( 0.000 -17.432 0.000) 17.432 19.367 ( 0.000 -17.432 0.000) 17.432 20.267 ( 0.000 9.113 0.000) 9.113 20.267 ( 0.000 9.113 0.000) 9.113 20.914 ( 0.000 8.860 0.000) 8.860 20.914 ( 0.000 8.860 0.000) 8.860 21.001 ( 0.000 20.174 0.000) 20.174 21.001 ( 0.000 20.174 0.000) 20.174 22.377 ( 0.000 -15.183 0.000) 15.183 22.377 ( 0.000 -15.183 0.000) 15.183 24.207 ( 0.000 15.230 -0.000) 15.230 24.207 ( 0.000 15.230 0.000) 15.230 24.762 ( 0.000 3.679 0.000) 3.679 24.762 ( 0.000 3.679 0.000) 3.679 25.920 ( 0.000 -4.857 0.000) 4.857 25.920 ( 0.000 -4.857 0.000) 4.857 26.099 ( 0.000 -7.187 -0.000) 7.187 26.099 ( -0.000 -7.187 0.000) 7.187 26.924 ( 0.000 8.351 0.000) 8.351 26.924 ( 0.000 8.351 0.000) 8.351 27.220 ( 0.000 4.384 -0.000) 4.384 27.220 ( 0.000 4.384 0.000) 4.384 27.797 ( 0.000 1.109 -0.000) 1.109 27.797 ( 0.000 1.109 0.000) 1.109 27.862 ( 0.000 1.157 -0.000) 1.157 27.862 ( 0.000 1.157 0.000) 1.157 28.058 ( -0.000 0.399 -0.000) 0.399 28.058 ( 0.000 0.399 0.000) 0.399 28.098 ( 0.000 -0.157 0.000) 0.157 28.098 ( 0.000 -0.157 0.000) 0.157 28.753 ( 0.000 -1.476 0.000) 1.476 28.753 ( 0.000 -1.476 0.000) 1.476 28.811 ( 0.000 -12.112 -0.000) 12.112 28.811 ( 0.000 -12.112 0.000) 12.112 29.132 ( 0.000 0.490 -0.000) 0.490 29.132 ( 0.000 0.490 0.000) 0.490 29.214 ( 0.000 -9.637 0.000) 9.637 29.214 ( 0.000 -9.637 0.000) 9.637 29.364 ( 0.000 -2.654 -0.000) 2.654 29.364 ( 0.000 -2.654 0.000) 2.654 29.579 ( 0.000 -9.908 0.000) 9.908 29.579 ( 0.000 -9.908 0.000) 9.908 29.898 ( 0.000 5.105 0.000) 5.105 29.898 ( 0.000 5.105 0.000) 5.105 30.199 ( 0.000 6.681 0.000) 6.681 30.199 ( 0.000 6.681 0.000) 6.681 31.523 ( 0.000 -9.059 0.000) 9.059 31.523 ( 0.000 -9.059 0.000) 9.059 31.830 ( 0.000 5.371 -0.000) 5.371 31.830 ( 0.000 5.371 0.000) 5.371 32.249 ( 0.000 -1.511 0.000) 1.511 32.249 ( 0.000 -1.511 0.000) 1.511 32.425 ( 0.000 6.073 0.000) 6.073 32.425 ( 0.000 6.073 0.000) 6.073 33.151 ( 0.000 -10.770 0.000) 10.770 33.151 ( 0.000 -10.770 0.000) 10.770 33.340 ( -0.000 -4.586 -0.000) 4.586 33.340 ( 0.000 -4.586 0.000) 4.586 33.863 ( 0.000 20.768 -0.000) 20.768 33.863 ( 0.000 20.768 0.000) 20.768 34.650 ( 0.000 -1.125 0.000) 1.125 34.650 ( 0.000 -1.125 0.000) 1.125 ======================= Grid point 175 (57/64) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 0.000 20.256 -22.244) 30.084 3.206 ( 0.000 20.256 22.244) 30.084 3.310 ( 0.000 -5.250 -4.078) 6.648 3.310 ( 0.000 -5.250 4.078) 6.648 3.648 ( 0.000 10.164 -8.578) 13.300 3.648 ( 0.000 10.164 8.578) 13.300 3.955 ( 0.000 1.468 -15.295) 15.365 3.955 ( 0.000 1.468 15.295) 15.365 4.080 ( 0.000 0.532 -3.344) 3.386 4.080 ( 0.000 0.532 3.344) 3.386 4.278 ( 0.000 9.466 -10.177) 13.899 4.278 ( 0.000 9.466 10.177) 13.899 4.671 ( 0.000 1.591 -6.053) 6.259 4.671 ( 0.000 1.591 6.053) 6.259 5.054 ( 0.000 1.753 -4.711) 5.027 5.054 ( 0.000 1.753 4.711) 5.027 5.266 ( 0.000 -10.985 -2.752) 11.324 5.266 ( 0.000 -10.985 2.752) 11.324 5.382 ( 0.000 0.155 -4.415) 4.418 5.382 ( 0.000 0.155 4.415) 4.418 5.676 ( 0.000 6.648 -5.200) 8.440 5.676 ( 0.000 6.648 5.200) 8.440 5.959 ( 0.000 5.809 -5.825) 8.226 5.959 ( 0.000 5.809 5.825) 8.226 5.998 ( 0.000 6.608 -12.732) 14.344 5.998 ( 0.000 6.608 12.732) 14.344 6.155 ( 0.000 -2.853 -25.509) 25.668 6.155 ( 0.000 -2.853 25.509) 25.668 6.255 ( 0.000 -6.380 -15.731) 16.975 6.255 ( 0.000 -6.380 15.731) 16.975 6.698 ( 0.000 -8.517 -2.045) 8.759 6.698 ( 0.000 -8.517 2.045) 8.759 7.001 ( 0.000 9.772 -1.839) 9.944 7.001 ( 0.000 9.772 1.839) 9.944 7.452 ( 0.000 -3.030 -24.240) 24.429 7.452 ( 0.000 -3.030 24.240) 24.429 7.558 ( 0.000 1.417 -0.226) 1.435 7.558 ( 0.000 1.417 0.226) 1.435 7.975 ( 0.000 -5.313 -4.101) 6.712 7.975 ( 0.000 -5.313 4.101) 6.712 8.275 ( 0.000 -12.631 -3.816) 13.195 8.275 ( 0.000 -12.631 3.816) 13.195 8.454 ( 0.000 -14.340 -0.580) 14.352 8.454 ( 0.000 -14.340 0.580) 14.352 8.878 ( 0.000 -13.682 -5.525) 14.756 8.878 ( 0.000 -13.682 5.525) 14.756 9.328 ( 0.000 14.576 -10.316) 17.857 9.328 ( 0.000 14.576 10.316) 17.857 9.797 ( 0.000 9.324 -12.478) 15.577 9.797 ( 0.000 9.324 12.478) 15.577 10.284 ( 0.000 -7.283 -5.819) 9.323 10.284 ( 0.000 -7.283 5.819) 9.323 10.590 ( 0.000 7.459 -2.015) 7.726 10.590 ( 0.000 7.459 2.015) 7.726 11.101 ( 0.000 -12.047 -2.575) 12.320 11.101 ( 0.000 -12.047 2.575) 12.320 11.389 ( 0.000 12.483 -3.170) 12.879 11.389 ( 0.000 12.483 3.170) 12.879 11.710 ( 0.000 1.811 -4.885) 5.210 11.710 ( 0.000 1.811 4.885) 5.210 11.804 ( 0.000 6.071 -1.456) 6.243 11.804 ( 0.000 6.071 1.456) 6.243 12.261 ( 0.000 0.116 -5.216) 5.217 12.261 ( 0.000 0.116 5.216) 5.217 12.620 ( 0.000 0.299 -1.778) 1.803 12.620 ( 0.000 0.299 1.778) 1.803 12.743 ( 0.000 -20.209 -21.258) 29.331 12.743 ( 0.000 -20.209 21.258) 29.331 13.369 ( 0.000 9.182 -5.711) 10.814 13.369 ( 0.000 9.182 5.711) 10.814 13.438 ( 0.000 9.116 -10.495) 13.902 13.438 ( 0.000 9.116 10.495) 13.902 14.095 ( 0.000 7.005 -4.943) 8.573 14.095 ( 0.000 7.005 4.943) 8.573 14.620 ( 0.000 10.069 -3.539) 10.673 14.620 ( 0.000 10.069 3.539) 10.673 15.257 ( 0.000 -6.084 -6.585) 8.965 15.257 ( 0.000 -6.084 6.585) 8.965 15.647 ( 0.000 -9.455 -4.342) 10.405 15.647 ( 0.000 -9.455 4.342) 10.405 16.004 ( 0.000 1.656 -1.610) 2.310 16.004 ( 0.000 1.656 1.610) 2.310 16.304 ( 0.000 1.615 -3.815) 4.143 16.304 ( 0.000 1.615 3.815) 4.143 17.084 ( 0.000 0.995 -3.921) 4.045 17.084 ( 0.000 0.995 3.921) 4.045 17.383 ( 0.000 -17.689 -4.119) 18.162 17.383 ( 0.000 -17.689 4.119) 18.162 17.715 ( 0.000 -5.832 -1.959) 6.152 17.715 ( 0.000 -5.832 1.959) 6.152 18.114 ( 0.000 6.543 -4.617) 8.008 18.114 ( 0.000 6.543 4.617) 8.008 18.318 ( 0.000 3.635 -2.686) 4.520 18.318 ( 0.000 3.635 2.686) 4.520 18.951 ( 0.000 -16.342 -2.907) 16.599 18.951 ( 0.000 -16.342 2.907) 16.599 20.127 ( 0.000 10.161 -8.979) 13.559 20.127 ( 0.000 10.161 8.979) 13.559 21.324 ( 0.000 18.845 -7.016) 20.109 21.324 ( 0.000 18.845 7.016) 20.109 21.532 ( 0.000 0.252 -1.677) 1.696 21.532 ( 0.000 0.252 1.677) 1.696 22.107 ( 0.000 -11.457 -6.366) 13.106 22.107 ( 0.000 -11.457 6.366) 13.106 24.583 ( 0.000 1.823 -8.831) 9.018 24.583 ( 0.000 1.823 8.831) 9.018 24.749 ( 0.000 17.010 -24.562) 29.877 24.749 ( 0.000 17.010 24.562) 29.877 25.667 ( 0.000 -0.517 -2.366) 2.421 25.667 ( 0.000 -0.517 2.366) 2.421 26.046 ( 0.000 -15.917 -19.036) 24.814 26.046 ( 0.000 -15.917 19.036) 24.814 26.884 ( 0.000 16.879 -1.368) 16.934 26.884 ( 0.000 16.879 1.368) 16.934 27.512 ( 0.000 -7.594 -5.584) 9.426 27.512 ( 0.000 -7.594 5.584) 9.426 27.574 ( 0.000 4.217 -9.137) 10.063 27.574 ( 0.000 4.217 9.137) 10.063 27.851 ( 0.000 3.703 -6.630) 7.594 27.851 ( 0.000 3.703 6.630) 7.594 27.939 ( 0.000 4.077 -3.307) 5.250 27.939 ( 0.000 4.077 3.307) 5.250 28.319 ( 0.000 -4.102 -4.420) 6.030 28.319 ( 0.000 -4.102 4.420) 6.030 28.519 ( 0.000 -4.632 -4.809) 6.677 28.519 ( 0.000 -4.632 4.809) 6.677 28.572 ( 0.000 -10.369 -3.118) 10.827 28.572 ( 0.000 -10.369 3.118) 10.827 28.876 ( 0.000 3.592 -3.122) 4.759 28.876 ( 0.000 3.592 3.122) 4.759 29.031 ( 0.000 4.840 -0.830) 4.910 29.031 ( 0.000 4.840 0.830) 4.910 29.437 ( 0.000 -1.356 -0.052) 1.356 29.437 ( 0.000 -1.356 0.052) 1.356 29.577 ( 0.000 -10.701 -4.690) 11.684 29.577 ( 0.000 -10.701 4.690) 11.684 29.872 ( 0.000 -13.096 -4.861) 13.969 29.872 ( 0.000 -13.096 4.861) 13.969 30.231 ( 0.000 -2.809 -0.765) 2.912 30.231 ( 0.000 -2.809 0.765) 2.912 31.415 ( 0.000 3.931 -0.415) 3.953 31.415 ( 0.000 3.931 0.415) 3.953 31.834 ( 0.000 3.634 -8.794) 9.515 31.834 ( 0.000 3.634 8.794) 9.515 32.492 ( 0.000 1.190 -2.458) 2.730 32.492 ( 0.000 1.190 2.458) 2.730 32.779 ( 0.000 -1.029 -1.513) 1.830 32.779 ( 0.000 -1.029 1.513) 1.830 33.052 ( 0.000 -1.001 -2.926) 3.092 33.052 ( 0.000 -1.001 2.926) 3.092 33.408 ( 0.000 4.873 -0.515) 4.900 33.408 ( 0.000 4.873 0.515) 4.900 33.735 ( 0.000 -1.741 -11.757) 11.885 33.735 ( 0.000 -1.741 11.757) 11.885 34.919 ( 0.000 7.882 -8.160) 11.345 34.919 ( 0.000 7.882 8.160) 11.345 ======================= Grid point 177 (58/64) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -0.440 7.093 -17.040) 18.463 3.251 ( -0.440 7.093 17.040) 18.463 3.309 ( 5.552 8.148 -12.892) 16.231 3.309 ( 5.552 8.149 12.892) 16.231 3.690 ( 1.901 3.705 -9.356) 10.241 3.690 ( 1.901 3.705 9.356) 10.241 3.944 ( -2.681 7.325 -10.817) 13.336 3.944 ( -2.681 7.325 10.817) 13.336 4.083 ( 0.011 3.034 -11.061) 11.470 4.083 ( 0.011 3.034 11.061) 11.470 4.326 ( 6.479 2.382 -7.768) 10.392 4.326 ( 6.479 2.382 7.768) 10.392 4.673 ( 0.033 -0.781 -1.748) 1.915 4.673 ( 0.033 -0.781 1.748) 1.915 4.932 ( -9.036 -4.517 -9.729) 14.025 4.932 ( -9.036 -4.517 9.729) 14.025 5.219 ( -4.149 1.118 -6.787) 8.033 5.219 ( -4.149 1.118 6.787) 8.033 5.348 ( -1.918 -3.112 -7.993) 8.789 5.348 ( -1.918 -3.112 7.993) 8.789 5.666 ( 0.449 13.709 -6.941) 15.373 5.666 ( 0.449 13.709 6.941) 15.373 5.867 ( -9.625 1.889 -7.433) 12.307 5.867 ( -9.625 1.889 7.433) 12.307 5.996 ( -3.179 6.399 -6.669) 9.775 5.996 ( -3.179 6.399 6.669) 9.775 6.261 ( 6.578 -0.818 -7.975) 10.370 6.261 ( 6.578 -0.818 7.975) 10.370 6.354 ( 12.095 -5.601 -9.874) 16.588 6.354 ( 12.095 -5.601 9.874) 16.588 6.716 ( 1.947 -11.869 -4.037) 12.687 6.716 ( 1.947 -11.869 4.037) 12.687 7.017 ( 1.124 8.557 -1.167) 8.709 7.017 ( 1.124 8.557 1.167) 8.709 7.477 ( 1.906 0.510 -14.250) 14.386 7.477 ( 1.906 0.510 14.250) 14.386 7.523 ( -1.884 2.213 -7.848) 8.369 7.523 ( -1.884 2.213 7.848) 8.369 8.029 ( 3.711 -7.764 -10.172) 13.323 8.029 ( 3.711 -7.764 10.172) 13.323 8.194 ( -2.906 -14.876 -4.769) 15.890 8.194 ( -2.906 -14.876 4.769) 15.890 8.495 ( -0.028 -8.992 -4.039) 9.857 8.495 ( -0.028 -8.992 4.039) 9.857 8.860 ( -1.456 -15.360 -8.259) 17.501 8.860 ( -1.456 -15.360 8.259) 17.501 9.335 ( -3.024 10.571 -7.571) 13.350 9.335 ( -3.024 10.571 7.571) 13.350 9.853 ( 8.143 10.895 -10.783) 17.358 9.853 ( 8.143 10.895 10.783) 17.358 10.323 ( 3.414 -5.570 -9.307) 11.371 10.323 ( 3.414 -5.570 9.307) 11.371 10.592 ( 0.453 5.492 -2.546) 6.070 10.592 ( 0.453 5.492 2.546) 6.070 11.024 ( -6.366 -4.633 -9.159) 12.078 11.024 ( -6.366 -4.633 9.159) 12.078 11.388 ( -2.590 7.645 -11.412) 13.978 11.388 ( -2.590 7.645 11.412) 13.978 11.606 ( -5.608 4.594 -7.136) 10.172 11.606 ( -5.608 4.594 7.136) 10.172 11.889 ( 5.859 2.255 -6.934) 9.353 11.889 ( 5.859 2.255 6.934) 9.353 12.317 ( 2.961 -1.568 -4.416) 5.543 12.317 ( 2.961 -1.568 4.416) 5.543 12.463 ( -5.238 -13.195 -11.505) 18.273 12.463 ( -5.238 -13.195 11.505) 18.273 12.913 ( 7.296 -3.882 -7.238) 10.987 12.913 ( 7.296 -3.882 7.238) 10.987 13.299 ( -4.982 11.618 -12.618) 17.861 13.299 ( -4.982 11.618 12.618) 17.861 13.465 ( 2.859 6.944 -8.840) 11.599 13.465 ( 2.859 6.944 8.840) 11.599 14.074 ( -2.607 7.634 -5.216) 9.607 14.074 ( -2.607 7.634 5.216) 9.607 14.514 ( -9.219 8.986 -5.719) 14.088 14.514 ( -9.219 8.986 5.719) 14.088 15.268 ( 0.913 -6.416 -7.573) 9.967 15.268 ( 0.913 -6.416 7.573) 9.967 15.647 ( -0.706 -12.773 -3.448) 13.249 15.647 ( -0.706 -12.773 3.448) 13.249 15.996 ( 0.393 4.562 -4.783) 6.622 15.996 ( 0.393 4.562 4.783) 6.622 16.305 ( -0.383 1.483 -5.535) 5.743 16.305 ( -0.383 1.483 5.535) 5.743 17.112 ( 2.531 1.193 -4.147) 5.003 17.112 ( 2.531 1.193 4.147) 5.003 17.424 ( 3.229 -16.433 -3.495) 17.108 17.424 ( 3.229 -16.433 3.495) 17.108 17.739 ( 2.198 -5.018 -2.184) 5.898 17.739 ( 2.198 -5.018 2.184) 5.898 18.089 ( -2.302 4.294 -4.350) 6.531 18.089 ( -2.302 4.294 4.350) 6.531 18.305 ( -1.111 4.961 -2.428) 5.634 18.305 ( -1.111 4.961 2.428) 5.634 18.961 ( 0.731 -17.032 -2.659) 17.254 18.961 ( 0.731 -17.032 2.659) 17.254 20.199 ( 6.732 10.141 -8.230) 14.694 20.199 ( 6.732 10.141 8.230) 14.694 21.308 ( -2.718 14.667 -3.631) 15.352 21.308 ( -2.718 14.667 3.631) 15.352 21.479 ( -3.677 5.278 -0.630) 6.464 21.479 ( -3.677 5.278 0.630) 6.464 22.092 ( -1.282 -11.959 -5.102) 13.065 22.092 ( -1.282 -11.959 5.102) 13.065 24.555 ( -1.579 7.592 -3.354) 8.448 24.555 ( -1.579 7.592 3.354) 8.448 24.788 ( 2.388 10.070 -16.295) 19.304 24.788 ( 2.388 10.070 16.295) 19.304 25.699 ( 2.796 -0.740 -3.383) 4.451 25.699 ( 2.796 -0.740 3.383) 4.451 26.028 ( -1.678 -14.219 -17.760) 22.812 26.028 ( -1.678 -14.219 17.760) 22.812 26.920 ( 3.632 15.885 -1.309) 16.347 26.920 ( 3.632 15.885 1.309) 16.347 27.478 ( -2.401 -1.647 -3.868) 4.841 27.478 ( -2.401 -1.647 3.868) 4.841 27.619 ( 3.655 -1.933 -7.084) 8.203 27.619 ( 3.655 -1.933 7.084) 8.203 27.869 ( 1.458 4.588 -7.012) 8.505 27.869 ( 1.458 4.588 7.012) 8.505 27.977 ( 3.204 4.893 -3.929) 7.046 27.977 ( 3.204 4.893 3.929) 7.046 28.237 ( -5.314 -3.593 -3.046) 7.102 28.237 ( -5.314 -3.593 3.046) 7.102 28.529 ( 0.785 -5.911 -1.903) 6.259 28.529 ( 0.785 -5.911 1.903) 6.259 28.621 ( 2.497 -10.810 -5.656) 12.453 28.621 ( 2.497 -10.810 5.656) 12.453 28.949 ( 6.352 2.296 -1.900) 7.016 28.949 ( 6.352 2.296 1.900) 7.016 29.023 ( -0.812 3.889 -1.133) 4.132 29.023 ( -0.812 3.889 1.133) 4.132 29.401 ( -3.083 -3.293 -4.849) 6.623 29.401 ( -3.083 -3.293 4.849) 6.623 29.543 ( -3.262 -9.904 -4.867) 11.507 29.543 ( -3.262 -9.904 4.867) 11.507 29.899 ( 2.428 -7.499 -4.363) 9.010 29.899 ( 2.428 -7.499 4.363) 9.010 30.234 ( 0.209 -3.299 -1.050) 3.469 30.234 ( 0.209 -3.299 1.050) 3.469 31.426 ( 1.066 4.111 -1.726) 4.584 31.426 ( 1.066 4.111 1.726) 4.584 31.847 ( 1.197 2.820 -8.006) 8.573 31.847 ( 1.197 2.820 8.006) 8.573 32.452 ( -3.798 2.379 -4.546) 6.384 32.452 ( -3.798 2.379 4.546) 6.384 32.784 ( -1.565 -2.243 -3.513) 4.452 32.784 ( -1.565 -2.243 3.513) 4.452 32.947 ( -7.933 4.163 -6.643) 11.153 32.947 ( -7.933 4.163 6.643) 11.153 33.277 ( -5.267 -6.689 -6.414) 10.659 33.277 ( -5.267 -6.689 6.414) 10.659 33.941 ( 12.735 4.867 -7.812) 15.713 33.941 ( 12.735 4.867 7.812) 15.713 34.856 ( -5.666 6.527 -8.082) 11.833 34.856 ( -5.666 6.527 8.082) 11.833 ======================= Grid point 179 (59/64) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 2.238 3.206 -10.933) 11.611 3.257 ( 2.238 3.206 10.933) 11.611 3.439 ( 3.028 2.384 -9.922) 10.644 3.439 ( 3.028 2.384 9.922) 10.644 3.673 ( -2.524 10.270 -5.991) 12.154 3.673 ( -2.524 10.270 5.991) 12.154 3.889 ( -0.316 3.488 -9.770) 10.379 3.889 ( -0.316 3.488 9.770) 10.379 4.072 ( -0.858 2.553 -6.091) 6.660 4.072 ( -0.858 2.553 6.091) 6.660 4.469 ( 2.943 -3.767 -5.098) 6.988 4.469 ( 2.943 -3.767 5.098) 6.988 4.677 ( -0.326 -6.440 -4.263) 7.730 4.677 ( -0.326 -6.440 4.263) 7.730 4.815 ( 0.772 4.120 -7.267) 8.389 4.815 ( 0.772 4.120 7.267) 8.389 5.178 ( 0.015 3.009 -5.887) 6.612 5.178 ( 0.015 3.009 5.887) 6.612 5.273 ( -4.337 3.304 -1.853) 5.758 5.273 ( -4.337 3.304 1.853) 5.758 5.555 ( -10.343 9.324 -4.042) 14.500 5.555 ( -10.343 9.324 4.042) 14.500 5.771 ( 2.568 4.264 -2.680) 5.653 5.771 ( 2.568 4.264 2.680) 5.653 5.965 ( 0.028 3.076 -3.617) 4.748 5.965 ( 0.028 3.076 3.617) 4.748 6.259 ( -7.084 -2.263 -5.936) 9.515 6.259 ( -7.084 -2.263 5.936) 9.515 6.613 ( 11.756 -2.437 -4.363) 12.774 6.613 ( 11.756 -2.437 4.363) 12.774 6.825 ( 6.376 -5.436 -6.805) 10.794 6.825 ( 6.376 -5.436 6.805) 10.794 7.048 ( 2.596 8.506 -2.534) 9.248 7.048 ( 2.596 8.506 2.534) 9.248 7.445 ( -4.856 1.827 -11.525) 12.639 7.445 ( -4.856 1.827 11.525) 12.639 7.594 ( 8.248 -0.710 -7.478) 11.155 7.594 ( 8.248 -0.710 7.478) 11.155 8.040 ( -2.226 -14.981 -3.047) 15.448 8.040 ( -2.226 -14.981 3.047) 15.448 8.242 ( 5.223 -10.481 -10.870) 15.978 8.242 ( 5.223 -10.481 10.870) 15.978 8.446 ( -3.067 -6.127 -3.047) 7.499 8.446 ( -3.067 -6.127 3.047) 7.499 8.806 ( -3.993 -11.188 -6.619) 13.599 8.806 ( -3.993 -11.188 6.619) 13.599 9.180 ( -9.009 1.317 -5.387) 10.579 9.180 ( -9.009 1.317 5.387) 10.579 10.126 ( 15.179 10.096 -9.159) 20.402 10.126 ( 15.179 10.096 9.159) 20.402 10.406 ( 4.151 1.605 -9.030) 10.067 10.406 ( 4.151 1.605 9.030) 10.067 10.606 ( 0.432 0.105 -4.977) 4.997 10.606 ( 0.432 0.105 4.977) 4.997 10.848 ( -11.074 10.497 -11.603) 19.168 10.848 ( -11.074 10.497 11.603) 19.168 11.295 ( -2.550 -4.262 -5.779) 7.620 11.295 ( -2.550 -4.262 5.779) 7.620 11.535 ( -3.070 2.433 -13.057) 13.632 11.535 ( -3.070 2.433 13.057) 13.632 12.007 ( 5.984 -2.191 -5.145) 8.190 12.007 ( 5.984 -2.191 5.145) 8.190 12.299 ( -3.640 -6.634 -0.755) 7.605 12.299 ( -3.640 -6.634 0.755) 7.605 12.508 ( 6.617 -4.384 -8.723) 11.794 12.508 ( 6.617 -4.384 8.723) 11.794 12.933 ( -4.973 -0.354 -4.389) 6.642 12.933 ( -4.973 -0.354 4.389) 6.642 13.269 ( 3.065 14.005 -6.088) 15.575 13.269 ( 3.065 14.005 6.088) 15.575 13.545 ( 3.166 4.778 -7.301) 9.282 13.545 ( 3.166 4.778 7.301) 9.282 13.996 ( -2.942 10.325 -3.690) 11.352 13.996 ( -2.942 10.325 3.690) 11.352 14.294 ( -10.994 5.959 -7.845) 14.763 14.294 ( -10.994 5.959 7.845) 14.763 15.288 ( 0.845 -7.304 -6.454) 9.784 15.288 ( 0.845 -7.304 6.454) 9.784 15.610 ( -2.253 -14.832 -4.571) 15.683 15.610 ( -2.253 -14.832 4.571) 15.683 16.047 ( 4.046 6.420 -8.563) 11.442 16.047 ( 4.046 6.420 8.563) 11.442 16.274 ( -2.607 1.506 -7.410) 7.999 16.274 ( -2.607 1.506 7.410) 7.999 17.176 ( 3.161 1.831 -3.181) 4.844 17.176 ( 3.161 1.831 3.181) 4.844 17.484 ( 2.097 -14.332 -1.997) 14.622 17.484 ( 2.097 -14.332 1.997) 14.622 17.790 ( 2.262 -2.267 -2.597) 4.123 17.790 ( 2.262 -2.267 2.597) 4.123 18.032 ( -2.704 -1.692 -4.049) 5.154 18.032 ( -2.704 -1.692 4.049) 5.154 18.278 ( -1.248 7.876 -1.925) 8.203 18.278 ( -1.248 7.876 1.925) 8.203 18.972 ( 0.304 -18.116 -1.653) 18.194 18.972 ( 0.304 -18.116 1.653) 18.194 20.380 ( 9.686 11.353 -5.972) 16.074 20.380 ( 9.686 11.353 5.972) 16.074 21.166 ( -9.645 3.057 -2.823) 10.505 21.166 ( -9.645 3.057 2.823) 10.505 21.450 ( 0.454 17.363 -2.414) 17.536 21.450 ( 0.454 17.363 2.414) 17.536 22.064 ( -1.226 -12.803 -2.532) 13.109 22.064 ( -1.226 -12.803 2.532) 13.109 24.540 ( 0.015 12.389 -2.960) 12.738 24.540 ( 0.015 12.389 2.960) 12.738 24.820 ( 0.702 3.337 -8.041) 8.734 24.820 ( 0.702 3.337 8.041) 8.734 25.766 ( 3.421 -1.985 -5.593) 6.850 25.766 ( 3.421 -1.985 5.593) 6.850 25.975 ( -3.330 -10.463 -13.600) 17.479 25.975 ( -3.330 -10.463 13.600) 17.479 27.038 ( 7.410 13.579 -2.427) 15.659 27.038 ( 7.410 13.579 2.427) 15.659 27.416 ( -4.013 3.208 -4.970) 7.148 27.416 ( -4.013 3.208 4.970) 7.148 27.712 ( 5.026 -4.771 -2.654) 7.421 27.712 ( 5.026 -4.771 2.654) 7.421 27.881 ( -1.065 2.981 -7.303) 7.960 27.881 ( -1.065 2.981 7.303) 7.960 28.052 ( 3.604 5.771 -3.596) 7.696 28.052 ( 3.604 5.771 3.596) 7.696 28.159 ( -1.906 -1.185 -4.027) 4.610 28.159 ( -1.906 -1.185 4.027) 4.610 28.551 ( 1.146 -7.964 -3.735) 8.870 28.551 ( 1.146 -7.964 3.735) 8.870 28.645 ( 0.070 -10.911 -5.732) 12.325 28.645 ( 0.070 -10.911 5.732) 12.325 29.008 ( 0.348 1.671 -2.578) 3.091 29.008 ( 0.348 1.671 2.578) 3.091 29.083 ( 4.545 -2.081 -3.530) 6.120 29.083 ( 4.545 -2.081 3.530) 6.120 29.328 ( -3.115 -5.129 -4.904) 7.749 29.328 ( -3.115 -5.129 4.904) 7.749 29.456 ( -4.562 -6.981 -3.430) 9.017 29.456 ( -4.562 -6.981 3.430) 9.017 29.961 ( 3.073 1.108 -3.204) 4.575 29.961 ( 3.073 1.108 3.204) 4.575 30.237 ( -0.017 -3.838 -1.097) 3.992 30.237 ( -0.017 -3.838 1.097) 3.992 31.460 ( 2.029 5.348 -2.123) 6.101 31.460 ( 2.029 5.348 2.123) 6.101 31.875 ( 1.169 0.108 -4.630) 4.776 31.875 ( 1.169 0.108 4.630) 4.776 32.346 ( -5.666 4.529 -4.690) 8.639 32.346 ( -5.666 4.529 4.690) 8.639 32.624 ( -8.872 1.378 -2.473) 9.313 32.624 ( -8.872 1.378 2.473) 9.313 32.923 ( 2.911 -2.422 -1.199) 3.972 32.923 ( 2.911 -2.422 1.199) 3.972 33.211 ( -2.173 -9.919 -5.777) 11.683 33.211 ( -2.173 -9.919 5.777) 11.683 34.167 ( 8.687 10.838 -6.125) 15.180 34.167 ( 8.687 10.838 6.125) 15.180 34.713 ( -7.146 2.492 -6.902) 10.243 34.713 ( -7.146 2.492 6.902) 10.243 ======================= Grid point 181 (60/64) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 0.000 3.646 -0.000) 3.646 3.309 ( 0.000 3.646 0.000) 3.646 3.424 ( 0.000 -1.952 0.000) 1.952 3.424 ( -0.000 -1.952 0.000) 1.952 3.643 ( 0.000 12.403 -0.000) 12.403 3.643 ( 0.000 12.403 0.000) 12.403 3.918 ( 0.000 -7.121 0.000) 7.121 3.918 ( 0.000 -7.121 0.000) 7.121 4.071 ( 0.000 9.029 -0.000) 9.029 4.071 ( -0.000 9.029 0.000) 9.029 4.429 ( 0.000 0.100 0.000) 0.100 4.429 ( 0.000 0.100 0.000) 0.100 4.768 ( -0.000 -5.370 -0.000) 5.370 4.768 ( 0.000 -5.370 -0.000) 5.370 4.775 ( -0.000 -4.154 0.000) 4.154 4.775 ( 0.000 -4.154 0.000) 4.154 5.180 ( 0.000 7.362 0.000) 7.362 5.180 ( 0.000 7.362 0.000) 7.362 5.244 ( 0.000 8.499 -0.000) 8.499 5.244 ( 0.000 8.499 0.000) 8.499 5.441 ( 0.000 11.747 0.000) 11.747 5.441 ( 0.000 11.747 0.000) 11.747 5.805 ( 0.000 -6.276 0.000) 6.276 5.805 ( 0.000 -6.276 0.000) 6.276 5.987 ( 0.000 4.372 -0.000) 4.372 5.987 ( -0.000 4.372 0.000) 4.372 6.131 ( 0.000 -1.436 0.000) 1.436 6.131 ( 0.000 -1.436 0.000) 1.436 6.781 ( 0.000 -0.885 -0.000) 0.885 6.781 ( -0.000 -0.885 0.000) 0.885 6.853 ( 0.000 3.807 0.000) 3.807 6.853 ( 0.000 3.807 0.000) 3.807 7.124 ( -0.000 5.835 0.000) 5.835 7.124 ( 0.000 5.835 0.000) 5.835 7.349 ( -0.000 2.884 0.000) 2.884 7.349 ( 0.000 2.884 0.000) 2.884 7.733 ( 0.000 -6.460 0.000) 6.460 7.733 ( 0.000 -6.460 0.000) 6.460 7.990 ( 0.000 -15.919 0.000) 15.919 7.990 ( 0.000 -15.919 0.000) 15.919 8.306 ( 0.000 -8.256 0.000) 8.256 8.306 ( 0.000 -8.256 0.000) 8.256 8.414 ( 0.000 -5.835 0.000) 5.835 8.414 ( 0.000 -5.835 0.000) 5.835 8.744 ( 0.000 -5.151 0.000) 5.151 8.744 ( 0.000 -5.151 0.000) 5.151 9.072 ( 0.000 -6.644 -0.000) 6.644 9.072 ( 0.000 -6.644 0.000) 6.644 10.330 ( 0.000 3.067 -0.000) 3.067 10.330 ( 0.000 3.067 0.000) 3.067 10.495 ( -0.000 7.643 -0.000) 7.643 10.495 ( 0.000 7.643 0.000) 7.643 10.619 ( -0.000 11.134 0.000) 11.134 10.619 ( 0.000 11.134 0.000) 11.134 10.627 ( -0.000 6.502 -0.000) 6.502 10.627 ( 0.000 6.502 -0.000) 6.502 11.301 ( 0.000 -6.827 0.000) 6.827 11.301 ( -0.000 -6.827 0.000) 6.827 11.480 ( 0.000 -2.051 -0.000) 2.051 11.480 ( 0.000 -2.051 0.000) 2.051 12.133 ( 0.000 -6.204 0.000) 6.204 12.133 ( 0.000 -6.204 0.000) 6.204 12.196 ( 0.000 -3.135 0.000) 3.135 12.196 ( 0.000 -3.135 0.000) 3.135 12.615 ( 0.000 2.303 0.000) 2.303 12.615 ( 0.000 2.303 0.000) 2.303 12.838 ( 0.000 -2.180 -0.000) 2.180 12.838 ( 0.000 -2.180 0.000) 2.180 13.338 ( 0.000 11.303 0.000) 11.303 13.338 ( 0.000 11.303 0.000) 11.303 13.550 ( 0.000 6.634 -0.000) 6.634 13.550 ( 0.000 6.634 0.000) 6.634 14.016 ( 0.000 15.365 0.000) 15.365 14.016 ( 0.000 15.365 0.000) 15.365 14.122 ( -0.000 0.197 -0.000) 0.197 14.122 ( -0.000 0.197 0.000) 0.197 15.298 ( 0.000 -7.879 0.000) 7.879 15.298 ( 0.000 -7.879 0.000) 7.879 15.582 ( 0.000 -14.526 0.000) 14.526 15.582 ( 0.000 -14.526 0.000) 14.526 16.112 ( 0.000 7.212 -0.000) 7.212 16.112 ( 0.000 7.212 0.000) 7.212 16.227 ( -0.000 0.653 -0.000) 0.653 16.227 ( 0.000 0.653 0.000) 0.653 17.215 ( 0.000 2.490 0.000) 2.490 17.215 ( 0.000 2.490 0.000) 2.490 17.505 ( 0.000 -13.647 -0.000) 13.647 17.505 ( 0.000 -13.647 0.000) 13.647 17.816 ( 0.000 0.501 0.000) 0.501 17.816 ( 0.000 0.501 0.000) 0.501 18.000 ( 0.000 -6.328 0.000) 6.328 18.000 ( 0.000 -6.328 0.000) 6.328 18.264 ( 0.000 9.497 0.000) 9.497 18.264 ( 0.000 9.497 0.000) 9.497 18.975 ( 0.000 -18.556 0.000) 18.556 18.975 ( 0.000 -18.556 0.000) 18.556 20.514 ( 0.000 14.102 0.000) 14.102 20.514 ( 0.000 14.102 0.000) 14.102 21.029 ( 0.000 -1.138 0.000) 1.138 21.029 ( 0.000 -1.138 0.000) 1.138 21.459 ( 0.000 19.765 0.000) 19.765 21.459 ( 0.000 19.765 0.000) 19.765 22.050 ( 0.000 -13.231 0.000) 13.231 22.050 ( 0.000 -13.231 0.000) 13.231 24.543 ( 0.000 14.006 -0.000) 14.006 24.543 ( 0.000 14.006 0.000) 14.006 24.825 ( 0.000 0.977 0.000) 0.977 24.825 ( 0.000 0.977 0.000) 0.977 25.818 ( 0.000 -3.489 0.000) 3.489 25.818 ( 0.000 -3.489 0.000) 3.489 25.922 ( 0.000 -7.949 -0.000) 7.949 25.922 ( -0.000 -7.949 0.000) 7.949 27.157 ( 0.000 12.209 0.000) 12.209 27.157 ( 0.000 12.209 0.000) 12.209 27.339 ( -0.000 5.619 -0.000) 5.619 27.339 ( 0.000 5.619 0.000) 5.619 27.800 ( 0.000 -1.512 0.000) 1.512 27.800 ( 0.000 -1.512 0.000) 1.512 27.835 ( 0.000 -4.043 -0.000) 4.043 27.835 ( 0.000 -4.043 0.000) 4.043 28.102 ( 0.000 4.274 0.000) 4.274 28.102 ( 0.000 4.274 0.000) 4.274 28.139 ( -0.000 4.039 -0.000) 4.039 28.139 ( 0.000 4.039 0.000) 4.039 28.564 ( 0.000 -9.719 0.000) 9.719 28.564 ( 0.000 -9.719 0.000) 9.719 28.642 ( 0.000 -9.702 0.000) 9.702 28.642 ( 0.000 -9.702 0.000) 9.702 29.037 ( 0.000 -4.005 -0.000) 4.005 29.037 ( 0.000 -4.005 0.000) 4.005 29.097 ( 0.000 -3.027 0.000) 3.027 29.097 ( -0.000 -3.027 0.000) 3.027 29.317 ( 0.000 -1.581 0.000) 1.581 29.317 ( 0.000 -1.581 0.000) 1.581 29.387 ( 0.000 -6.844 0.000) 6.844 29.387 ( 0.000 -6.844 0.000) 6.844 29.999 ( 0.000 4.523 0.000) 4.523 29.999 ( 0.000 4.523 0.000) 4.523 30.235 ( 0.000 -3.975 0.000) 3.975 30.235 ( 0.000 -3.975 0.000) 3.975 31.488 ( 0.000 6.845 0.000) 6.845 31.488 ( 0.000 6.845 0.000) 6.845 31.886 ( 0.000 -2.567 0.000) 2.567 31.886 ( 0.000 -2.567 0.000) 2.567 32.275 ( 0.000 5.319 -0.000) 5.319 32.275 ( 0.000 5.319 0.000) 5.319 32.528 ( 0.000 1.649 0.000) 1.649 32.528 ( 0.000 1.649 0.000) 1.649 32.966 ( 0.000 -5.084 0.000) 5.084 32.966 ( 0.000 -5.084 0.000) 5.084 33.183 ( 0.000 -9.300 0.000) 9.300 33.183 ( 0.000 -9.300 0.000) 9.300 34.272 ( 0.000 15.892 0.000) 15.892 34.272 ( 0.000 15.892 0.000) 15.892 34.620 ( -0.000 -2.164 -0.000) 2.164 34.620 ( 0.000 -2.164 0.000) 2.164 ======================= Grid point 189 (61/64) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 -0.000 -0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 -0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 -0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 -0.000) 0.000 5.969 ( 0.000 -0.000 0.000) 0.000 6.025 ( 0.000 -0.000 -0.000) 0.000 6.025 ( 0.000 0.000 -0.000) 0.000 6.038 ( 0.000 -0.000 -0.000) 0.000 6.038 ( 0.000 -0.000 0.000) 0.000 6.040 ( 0.000 0.000 -0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 -0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 -0.000 -0.000) 0.000 7.212 ( 0.000 0.000 -0.000) 0.000 7.311 ( 0.000 -0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 -0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 -0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 -0.000 0.000) 0.000 10.804 ( 0.000 -0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 11.546 ( 0.000 0.000 0.000) 0.000 11.546 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.281 ( 0.000 0.000 0.000) 0.000 12.281 ( 0.000 -0.000 0.000) 0.000 12.313 ( 0.000 0.000 -0.000) 0.000 12.313 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 13.487 ( 0.000 0.000 -0.000) 0.000 13.487 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 -0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 15.188 ( 0.000 0.000 0.000) 0.000 15.188 ( 0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 16.052 ( 0.000 0.000 0.000) 0.000 16.052 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 17.122 ( 0.000 0.000 0.000) 0.000 17.122 ( 0.000 -0.000 0.000) 0.000 17.135 ( 0.000 0.000 -0.000) 0.000 17.135 ( 0.000 0.000 -0.000) 0.000 17.636 ( 0.000 0.000 0.000) 0.000 17.636 ( 0.000 0.000 0.000) 0.000 18.166 ( 0.000 0.000 0.000) 0.000 18.166 ( 0.000 0.000 0.000) 0.000 18.504 ( 0.000 -0.000 0.000) 0.000 18.504 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 20.256 ( 0.000 0.000 0.000) 0.000 20.256 ( 0.000 0.000 0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 21.675 ( 0.000 0.000 0.000) 0.000 21.675 ( 0.000 0.000 0.000) 0.000 21.898 ( 0.000 0.000 0.000) 0.000 21.898 ( 0.000 0.000 0.000) 0.000 24.554 ( 0.000 0.000 0.000) 0.000 24.554 ( 0.000 0.000 0.000) 0.000 25.045 ( 0.000 0.000 0.000) 0.000 25.045 ( 0.000 0.000 0.000) 0.000 25.702 ( 0.000 0.000 0.000) 0.000 25.702 ( 0.000 0.000 0.000) 0.000 25.769 ( 0.000 -0.000 -0.000) 0.000 25.769 ( 0.000 0.000 0.000) 0.000 27.151 ( 0.000 0.000 -0.000) 0.000 27.151 ( 0.000 0.000 0.000) 0.000 27.355 ( 0.000 -0.000 0.000) 0.000 27.355 ( 0.000 0.000 0.000) 0.000 27.639 ( 0.000 0.000 -0.000) 0.000 27.639 ( 0.000 0.000 0.000) 0.000 27.888 ( 0.000 0.000 0.000) 0.000 27.888 ( 0.000 0.000 0.000) 0.000 27.990 ( 0.000 0.000 0.000) 0.000 27.990 ( 0.000 0.000 0.000) 0.000 28.268 ( 0.000 0.000 0.000) 0.000 28.268 ( 0.000 0.000 0.000) 0.000 28.440 ( 0.000 0.000 0.000) 0.000 28.440 ( 0.000 0.000 0.000) 0.000 28.461 ( 0.000 0.000 0.000) 0.000 28.461 ( 0.000 0.000 0.000) 0.000 28.919 ( 0.000 0.000 0.000) 0.000 28.919 ( 0.000 0.000 0.000) 0.000 29.142 ( 0.000 0.000 0.000) 0.000 29.142 ( 0.000 0.000 0.000) 0.000 29.398 ( 0.000 0.000 -0.000) 0.000 29.398 ( 0.000 0.000 -0.000) 0.000 29.475 ( 0.000 0.000 0.000) 0.000 29.475 ( 0.000 0.000 0.000) 0.000 29.652 ( 0.000 0.000 0.000) 0.000 29.652 ( 0.000 0.000 0.000) 0.000 30.209 ( 0.000 0.000 0.000) 0.000 30.209 ( 0.000 0.000 0.000) 0.000 31.489 ( 0.000 0.000 0.000) 0.000 31.489 ( 0.000 0.000 0.000) 0.000 31.858 ( 0.000 0.000 0.000) 0.000 31.858 ( 0.000 0.000 0.000) 0.000 32.527 ( 0.000 0.000 0.000) 0.000 32.527 ( 0.000 0.000 0.000) 0.000 32.756 ( 0.000 0.000 0.000) 0.000 32.756 ( 0.000 0.000 0.000) 0.000 33.035 ( 0.000 0.000 0.000) 0.000 33.035 ( 0.000 0.000 0.000) 0.000 33.457 ( 0.000 0.000 0.000) 0.000 33.457 ( 0.000 0.000 0.000) 0.000 33.719 ( 0.000 0.000 0.000) 0.000 33.719 ( 0.000 0.000 0.000) 0.000 35.006 ( 0.000 0.000 0.000) 0.000 35.006 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 193 (62/64) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.610 0.000 0.000) 0.610 3.199 ( 0.610 0.000 0.000) 0.610 3.498 ( -2.732 0.000 0.000) 2.732 3.498 ( -2.732 0.000 0.000) 2.732 3.812 ( 8.035 0.000 0.000) 8.035 3.812 ( 8.035 0.000 0.000) 8.035 3.915 ( 2.809 -0.000 -0.000) 2.809 3.915 ( 2.809 0.000 0.000) 2.809 4.195 ( -1.685 0.000 -0.000) 1.685 4.195 ( -1.685 0.000 0.000) 1.685 4.410 ( -5.017 0.000 -0.000) 5.017 4.410 ( -5.017 0.000 0.000) 5.017 4.661 ( -5.246 0.000 0.000) 5.246 4.661 ( -5.246 0.000 0.000) 5.246 4.772 ( 0.162 0.000 0.000) 0.162 4.772 ( 0.162 0.000 0.000) 0.162 5.243 ( -0.277 0.000 0.000) 0.277 5.243 ( -0.277 0.000 0.000) 0.277 5.325 ( -1.979 0.000 -0.000) 1.979 5.325 ( -1.979 0.000 -0.000) 1.979 5.877 ( -6.488 0.000 -0.000) 6.488 5.877 ( -6.488 0.000 0.000) 6.488 5.981 ( -3.682 -0.000 -0.000) 3.682 5.981 ( -3.682 0.000 0.000) 3.682 5.983 ( -7.200 0.000 -0.000) 7.200 5.983 ( -7.200 -0.000 0.000) 7.200 6.247 ( 14.556 0.000 0.000) 14.556 6.247 ( 14.556 0.000 0.000) 14.556 6.313 ( 15.206 0.000 0.000) 15.206 6.313 ( 15.206 0.000 0.000) 15.206 6.540 ( -7.857 0.000 -0.000) 7.857 6.540 ( -7.857 0.000 0.000) 7.857 7.267 ( 4.198 -0.000 -0.000) 4.198 7.267 ( 4.198 0.000 -0.000) 4.198 7.330 ( 1.069 -0.000 0.000) 1.069 7.330 ( 1.069 0.000 0.000) 1.069 7.579 ( 3.356 0.000 0.000) 3.356 7.579 ( 3.356 0.000 0.000) 3.356 7.924 ( -7.725 0.000 0.000) 7.725 7.924 ( -7.725 0.000 0.000) 7.725 8.020 ( 3.050 0.000 0.000) 3.050 8.020 ( 3.050 0.000 0.000) 3.050 8.323 ( 4.980 0.000 0.000) 4.980 8.323 ( 4.980 0.000 0.000) 4.980 8.718 ( -2.896 0.000 0.000) 2.896 8.718 ( -2.896 0.000 0.000) 2.896 9.504 ( -10.523 0.000 0.000) 10.523 9.504 ( -10.523 0.000 0.000) 10.523 9.984 ( 11.171 0.000 0.000) 11.171 9.984 ( 11.171 0.000 0.000) 11.171 10.196 ( 6.642 0.000 0.000) 6.642 10.196 ( 6.642 0.000 0.000) 6.642 10.783 ( -3.960 -0.000 -0.000) 3.960 10.783 ( -3.960 0.000 0.000) 3.960 10.809 ( 0.834 0.000 0.000) 0.834 10.809 ( 0.834 0.000 0.000) 0.834 11.569 ( 0.340 0.000 -0.000) 0.340 11.569 ( 0.340 0.000 0.000) 0.340 11.660 ( -5.263 0.000 0.000) 5.263 11.660 ( -5.263 0.000 0.000) 5.263 12.016 ( -16.658 -0.000 -0.000) 16.658 12.016 ( -16.658 -0.000 0.000) 16.658 12.110 ( 5.722 0.000 0.000) 5.722 12.110 ( 5.722 0.000 0.000) 5.722 12.348 ( 5.035 0.000 0.000) 5.035 12.348 ( 5.035 0.000 0.000) 5.035 12.879 ( 10.247 0.000 0.000) 10.247 12.879 ( 10.247 0.000 0.000) 10.247 13.461 ( -0.827 -0.000 -0.000) 0.827 13.461 ( -0.827 0.000 0.000) 0.827 13.511 ( -0.925 0.000 -0.000) 0.925 13.511 ( -0.925 0.000 0.000) 0.925 14.172 ( -1.527 0.000 0.000) 1.527 14.172 ( -1.527 0.000 0.000) 1.527 14.644 ( -10.199 0.000 0.000) 10.199 14.644 ( -10.199 0.000 0.000) 10.199 15.206 ( 1.557 0.000 0.000) 1.557 15.206 ( 1.557 0.000 0.000) 1.557 15.452 ( -3.302 0.000 0.000) 3.302 15.452 ( -3.302 0.000 0.000) 3.302 16.064 ( 1.510 0.000 0.000) 1.510 16.064 ( 1.510 0.000 0.000) 1.510 16.331 ( -0.536 0.000 0.000) 0.536 16.331 ( -0.536 0.000 0.000) 0.536 17.149 ( 2.499 0.000 0.000) 2.499 17.149 ( 2.499 0.000 0.000) 2.499 17.194 ( 4.763 0.000 -0.000) 4.763 17.194 ( 4.763 0.000 0.000) 4.763 17.670 ( 3.140 0.000 0.000) 3.140 17.670 ( 3.140 0.000 0.000) 3.140 18.116 ( -4.634 0.000 0.000) 4.634 18.116 ( -4.634 0.000 0.000) 4.634 18.514 ( 0.979 -0.000 0.000) 0.979 18.514 ( 0.979 0.000 0.000) 0.979 18.644 ( -0.495 0.000 0.000) 0.495 18.644 ( -0.495 0.000 0.000) 0.495 20.331 ( 7.148 0.000 0.000) 7.148 20.331 ( 7.148 0.000 0.000) 7.148 21.383 ( -8.104 0.000 0.000) 8.104 21.383 ( -8.104 0.000 0.000) 8.104 21.694 ( 1.763 0.000 0.000) 1.763 21.694 ( 1.763 0.000 0.000) 1.763 21.882 ( -1.382 0.000 0.000) 1.382 21.882 ( -1.382 0.000 0.000) 1.382 24.579 ( 2.466 0.000 0.000) 2.466 24.579 ( 2.466 0.000 0.000) 2.466 25.000 ( -4.073 0.000 0.000) 4.073 25.000 ( -4.073 0.000 0.000) 4.073 25.724 ( 1.793 0.000 -0.000) 1.793 25.724 ( 1.793 0.000 0.000) 1.793 25.795 ( 1.986 0.000 -0.000) 1.986 25.795 ( 1.986 -0.000 0.000) 1.986 27.170 ( 2.175 0.000 0.000) 2.175 27.170 ( 2.175 0.000 0.000) 2.175 27.375 ( 1.864 -0.000 0.000) 1.864 27.375 ( 1.864 0.000 0.000) 1.864 27.628 ( -0.311 0.000 -0.000) 0.311 27.628 ( -0.311 0.000 0.000) 0.311 27.928 ( 2.868 0.000 0.000) 2.868 27.928 ( 2.868 0.000 0.000) 2.868 28.042 ( 4.399 -0.000 -0.000) 4.399 28.042 ( 4.399 0.000 0.000) 4.399 28.188 ( -5.518 -0.000 0.000) 5.518 28.188 ( -5.518 0.000 0.000) 5.518 28.447 ( 0.288 0.000 -0.000) 0.288 28.447 ( 0.288 0.000 0.000) 0.288 28.489 ( 1.315 0.000 -0.000) 1.315 28.489 ( 1.315 0.000 0.000) 1.315 28.966 ( 3.927 0.000 0.000) 3.927 28.966 ( 3.927 0.000 0.000) 3.927 29.129 ( -1.373 0.000 0.000) 1.373 29.129 ( -1.373 0.000 0.000) 1.373 29.310 ( -5.802 0.000 0.000) 5.802 29.310 ( -5.802 0.000 0.000) 5.802 29.452 ( -2.119 0.000 0.000) 2.119 29.452 ( -2.119 0.000 0.000) 2.119 29.773 ( 9.027 0.000 0.000) 9.027 29.773 ( 9.027 0.000 0.000) 9.027 30.203 ( -0.669 0.000 0.000) 0.669 30.203 ( -0.669 0.000 0.000) 0.669 31.507 ( 1.980 0.000 0.000) 1.980 31.507 ( 1.980 0.000 0.000) 1.980 31.856 ( -0.327 0.000 0.000) 0.327 31.856 ( -0.327 0.000 0.000) 0.327 32.505 ( -1.995 0.000 -0.000) 1.995 32.505 ( -1.995 0.000 0.000) 1.995 32.737 ( -2.882 0.000 0.000) 2.882 32.737 ( -2.882 0.000 0.000) 2.882 33.035 ( -0.167 -0.000 -0.000) 0.167 33.035 ( -0.167 -0.000 0.000) 0.167 33.155 ( -16.213 0.000 -0.000) 16.213 33.155 ( -16.213 0.000 0.000) 16.213 33.997 ( 15.693 0.000 0.000) 15.693 33.997 ( 15.693 0.000 0.000) 15.693 34.930 ( -6.903 0.000 0.000) 6.903 34.930 ( -6.903 0.000 0.000) 6.903 ======================= Grid point 197 (63/64) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 4.847 0.000 -0.000) 4.847 3.253 ( 4.847 0.000 0.000) 4.847 3.450 ( -1.964 0.000 0.000) 1.964 3.450 ( -1.964 0.000 0.000) 1.964 3.892 ( -3.512 0.000 0.000) 3.512 3.892 ( -3.512 0.001 -0.000) 3.512 3.894 ( -5.912 -0.001 0.000) 5.912 3.894 ( -5.912 -0.000 0.000) 5.912 4.178 ( 3.990 0.000 0.000) 3.990 4.178 ( 3.990 0.000 0.000) 3.990 4.345 ( 0.822 -0.000 -0.000) 0.822 4.345 ( 0.822 0.000 -0.000) 0.822 4.576 ( -1.426 0.000 -0.000) 1.426 4.576 ( -1.426 -0.000 0.000) 1.426 4.860 ( 2.664 0.000 -0.000) 2.664 4.860 ( 2.664 0.000 0.000) 2.664 5.228 ( 1.275 0.000 0.000) 1.275 5.228 ( 1.275 0.000 0.000) 1.275 5.325 ( 1.216 0.000 -0.000) 1.216 5.325 ( 1.216 0.000 -0.000) 1.216 5.649 ( -8.956 0.000 -0.000) 8.956 5.649 ( -8.956 0.000 0.000) 8.956 5.861 ( -8.351 0.000 -0.000) 8.351 5.861 ( -8.351 0.000 0.000) 8.351 5.978 ( 3.316 0.000 -0.000) 3.316 5.978 ( 3.316 0.000 0.000) 3.316 6.258 ( -10.366 0.000 -0.000) 10.366 6.258 ( -10.366 0.000 0.000) 10.366 6.625 ( 13.250 -0.000 -0.000) 13.250 6.625 ( 13.250 0.000 -0.000) 13.250 6.639 ( 13.408 -0.000 0.000) 13.408 6.639 ( 13.408 0.000 0.000) 13.408 7.339 ( 2.077 -0.001 -0.001) 2.077 7.339 ( 2.077 0.000 -0.000) 2.077 7.345 ( 0.484 -0.000 0.000) 0.484 7.345 ( 0.484 0.001 0.001) 0.484 7.655 ( 3.345 0.000 0.000) 3.345 7.655 ( 3.345 0.000 0.000) 3.345 7.798 ( -4.875 0.000 -0.000) 4.875 7.798 ( -4.875 0.000 0.000) 4.875 8.115 ( 5.825 0.000 0.000) 5.825 8.115 ( 5.825 0.000 0.000) 5.825 8.336 ( -2.897 -0.000 0.000) 2.897 8.336 ( -2.897 0.000 0.000) 2.897 8.706 ( 2.933 0.000 0.000) 2.933 8.706 ( 2.933 0.000 0.000) 2.933 9.199 ( -17.293 0.000 0.000) 17.293 9.199 ( -17.293 0.000 0.000) 17.293 10.243 ( 11.582 0.000 0.000) 11.582 10.243 ( 11.582 0.000 0.000) 11.582 10.373 ( 7.992 -0.000 0.000) 7.992 10.373 ( 7.992 0.000 0.000) 7.992 10.720 ( -0.312 0.000 0.000) 0.312 10.720 ( -0.312 0.000 0.000) 0.312 10.858 ( 3.665 0.000 0.000) 3.665 10.858 ( 3.665 0.000 0.000) 3.665 11.405 ( -13.773 0.000 -0.000) 13.773 11.405 ( -13.773 0.000 0.000) 13.773 11.489 ( -10.174 -0.000 -0.000) 10.174 11.489 ( -10.174 -0.000 0.000) 10.174 11.911 ( 5.793 -0.000 0.000) 5.793 11.911 ( 5.793 0.000 0.000) 5.793 12.196 ( -0.781 0.000 -0.000) 0.781 12.196 ( -0.781 0.000 0.000) 0.781 12.507 ( 11.095 0.000 0.000) 11.095 12.507 ( 11.095 0.000 0.000) 11.095 12.929 ( -4.787 0.000 0.000) 4.787 12.929 ( -4.787 0.000 0.000) 4.787 13.506 ( 0.873 -0.001 -0.001) 0.873 13.506 ( 0.873 -0.000 0.000) 0.873 13.507 ( 3.939 -0.000 -0.000) 3.939 13.507 ( 3.939 0.001 0.001) 3.939 14.131 ( -1.123 0.000 -0.000) 1.123 14.131 ( -1.123 0.000 0.000) 1.123 14.396 ( -12.269 0.000 0.000) 12.269 14.396 ( -12.269 -0.000 0.000) 12.269 15.245 ( 2.134 0.000 0.000) 2.134 15.245 ( 2.134 0.000 0.000) 2.134 15.371 ( -4.046 0.000 0.000) 4.046 15.371 ( -4.046 0.000 0.000) 4.046 16.124 ( 4.145 0.000 0.000) 4.145 16.124 ( 4.145 0.000 0.000) 4.145 16.298 ( -2.800 0.000 0.000) 2.800 16.298 ( -2.800 0.000 0.000) 2.800 17.219 ( 3.936 -0.000 0.000) 3.936 17.219 ( 3.936 0.000 0.000) 3.936 17.282 ( 2.741 0.000 -0.000) 2.741 17.282 ( 2.741 0.000 0.000) 2.741 17.755 ( 4.750 0.000 0.000) 4.750 17.755 ( 4.750 0.000 0.000) 4.750 17.993 ( -6.599 0.000 0.000) 6.599 17.993 ( -6.599 0.000 0.000) 6.599 18.542 ( 1.605 -0.000 0.000) 1.605 18.542 ( 1.605 0.000 0.000) 1.605 18.621 ( -1.694 0.000 0.000) 1.694 18.621 ( -1.694 0.000 0.000) 1.694 20.542 ( 12.830 0.000 0.000) 12.830 20.542 ( 12.830 0.000 0.000) 12.830 21.149 ( -13.852 0.000 0.000) 13.852 21.149 ( -13.852 0.000 0.000) 13.852 21.743 ( 2.749 -0.000 0.000) 2.749 21.743 ( 2.749 0.000 0.000) 2.749 21.847 ( -1.938 -0.000 0.000) 1.938 21.847 ( -1.938 0.000 0.000) 1.938 24.655 ( 4.782 0.000 0.000) 4.782 24.655 ( 4.782 0.000 0.000) 4.782 24.892 ( -5.904 0.000 0.000) 5.904 24.892 ( -5.904 0.000 0.000) 5.904 25.763 ( 1.937 0.000 -0.000) 1.937 25.763 ( 1.937 0.000 0.000) 1.937 25.823 ( 0.246 0.000 0.000) 0.246 25.823 ( 0.246 0.000 0.000) 0.246 27.252 ( 5.598 0.000 0.000) 5.598 27.252 ( 5.598 0.000 0.000) 5.598 27.416 ( 0.934 -0.000 0.000) 0.934 27.416 ( 0.934 0.000 0.000) 0.934 27.651 ( 2.970 0.000 0.000) 2.970 27.651 ( 2.970 0.000 0.000) 2.970 27.911 ( -5.750 0.000 -0.000) 5.750 27.911 ( -5.750 0.000 0.000) 5.750 28.146 ( 4.910 -0.000 -0.000) 4.910 28.146 ( 4.910 0.000 0.000) 4.910 28.148 ( 2.617 0.000 -0.000) 2.617 28.148 ( 2.617 -0.000 0.000) 2.617 28.445 ( -0.248 0.000 -0.000) 0.248 28.445 ( -0.248 0.000 0.000) 0.248 28.490 ( -1.209 0.000 -0.000) 1.209 28.490 ( -1.209 0.000 0.000) 1.209 29.031 ( 0.929 -0.000 0.000) 0.929 29.031 ( 0.929 0.000 0.000) 0.929 29.081 ( -2.977 -0.000 0.000) 2.977 29.081 ( -2.977 0.000 0.000) 2.977 29.238 ( 0.332 0.000 0.000) 0.332 29.238 ( 0.332 0.000 0.000) 0.332 29.392 ( -3.667 0.000 0.000) 3.667 29.392 ( -3.667 0.000 0.000) 3.667 29.965 ( 8.649 0.000 0.000) 8.649 29.965 ( 8.649 0.000 0.000) 8.649 30.178 ( -1.958 0.000 0.000) 1.958 30.178 ( -1.958 0.000 0.000) 1.958 31.581 ( 5.351 0.000 0.000) 5.351 31.581 ( 5.351 0.000 0.000) 5.351 31.828 ( -2.990 -0.000 0.000) 2.990 31.828 ( -2.990 0.000 0.000) 2.990 32.456 ( -2.316 -0.000 -0.000) 2.316 32.456 ( -2.316 0.000 0.000) 2.316 32.580 ( -10.283 -0.000 0.000) 10.283 32.580 ( -10.283 0.000 0.000) 10.283 32.977 ( -1.465 -0.000 -0.000) 1.465 32.977 ( -1.465 -0.000 0.000) 1.465 33.023 ( -1.005 0.000 -0.000) 1.005 33.023 ( -1.005 0.000 0.000) 1.005 34.286 ( 12.343 0.000 0.000) 12.343 34.286 ( 12.343 0.000 0.000) 12.343 34.745 ( -10.302 0.000 0.000) 10.302 34.745 ( -10.302 0.000 0.000) 10.302 ======================= Grid point 201 (64/64) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -3.969 -2.260 -0.000) 4.567 3.378 ( -3.969 -2.260 0.000) 4.567 3.378 ( 3.969 2.260 0.000) 4.567 3.378 ( 3.969 2.260 0.000) 4.567 3.803 ( -0.067 -3.717 0.000) 3.718 3.803 ( -0.067 -3.717 0.000) 3.718 3.803 ( 0.067 3.717 0.000) 3.718 3.803 ( 0.068 3.717 0.000) 3.718 4.308 ( -1.617 -9.867 0.000) 9.999 4.308 ( -1.617 -9.867 0.000) 9.998 4.308 ( 1.617 9.867 0.000) 9.999 4.308 ( 1.617 9.867 0.000) 9.999 4.705 ( -12.231 -0.194 0.000) 12.233 4.705 ( -12.231 -0.194 0.000) 12.233 4.705 ( 12.231 0.194 0.000) 12.233 4.705 ( 12.231 0.194 0.000) 12.233 5.329 ( -1.143 -2.673 0.000) 2.907 5.329 ( -1.143 -2.673 0.000) 2.907 5.329 ( 1.143 2.673 -0.000) 2.907 5.329 ( 1.143 2.673 0.000) 2.907 5.649 ( -4.498 -6.945 0.000) 8.274 5.649 ( -4.498 -6.945 0.000) 8.274 5.649 ( 4.498 6.945 0.000) 8.274 5.649 ( 4.498 6.945 0.000) 8.274 6.077 ( -4.314 -2.677 0.000) 5.078 6.077 ( -4.314 -2.677 0.000) 5.078 6.077 ( 4.314 2.677 -0.000) 5.078 6.077 ( 4.314 2.677 0.000) 5.078 6.790 ( -0.093 -3.439 0.000) 3.440 6.790 ( -0.093 -3.439 0.000) 3.440 6.790 ( 0.093 3.439 0.000) 3.440 6.790 ( 0.093 3.439 0.000) 3.440 7.352 ( -0.003 -8.768 0.000) 8.768 7.352 ( -0.003 -8.768 0.000) 8.768 7.352 ( 0.003 8.768 -0.000) 8.768 7.352 ( 0.003 8.768 0.000) 8.768 7.716 ( -1.203 -3.273 0.000) 3.487 7.716 ( -1.203 -3.273 0.000) 3.487 7.716 ( 1.203 3.273 0.000) 3.487 7.716 ( 1.203 3.273 0.000) 3.487 8.241 ( -2.861 -4.418 0.000) 5.264 8.241 ( -2.861 -4.418 0.000) 5.264 8.241 ( 2.861 4.418 0.000) 5.264 8.241 ( 2.861 4.418 0.000) 5.264 8.868 ( -6.601 -9.196 0.000) 11.320 8.868 ( -6.601 -9.196 0.000) 11.320 8.868 ( 6.601 9.196 -0.000) 11.320 8.868 ( 6.601 9.196 0.000) 11.320 10.410 ( -1.616 -4.627 -0.000) 4.901 10.410 ( -1.616 -4.627 0.000) 4.901 10.410 ( 1.616 4.627 0.000) 4.901 10.410 ( 1.616 4.627 0.000) 4.901 10.834 ( -5.751 -2.861 0.000) 6.423 10.834 ( -5.751 -2.861 0.000) 6.423 10.834 ( 5.751 2.861 0.000) 6.423 10.834 ( 5.751 2.861 0.000) 6.423 11.293 ( -1.526 -10.440 0.000) 10.551 11.293 ( -1.526 -10.440 0.000) 10.551 11.293 ( 1.526 10.440 -0.000) 10.551 11.293 ( 1.526 10.440 0.000) 10.551 12.083 ( -7.749 -0.841 -0.000) 7.794 12.083 ( -7.749 -0.841 0.000) 7.794 12.083 ( 7.749 0.841 -0.000) 7.794 12.083 ( 7.749 0.841 0.000) 7.794 12.752 ( -7.647 -4.309 0.000) 8.778 12.752 ( -7.647 -4.309 0.000) 8.778 12.752 ( 7.647 4.309 0.000) 8.778 12.752 ( 7.647 4.309 0.000) 8.778 13.538 ( -0.104 -6.409 0.000) 6.409 13.538 ( -0.104 -6.408 0.000) 6.409 13.538 ( 0.104 6.409 0.000) 6.409 13.538 ( 0.104 6.409 0.000) 6.409 14.186 ( -6.635 -0.328 0.000) 6.643 14.186 ( -6.635 -0.328 0.000) 6.643 14.186 ( 6.635 0.328 0.000) 6.643 14.186 ( 6.635 0.328 0.000) 6.643 15.297 ( -0.494 -8.843 -0.000) 8.857 15.297 ( -0.494 -8.843 0.000) 8.857 15.297 ( 0.494 8.843 0.000) 8.857 15.297 ( 0.494 8.843 0.000) 8.857 16.219 ( -3.271 -1.575 0.000) 3.630 16.219 ( -3.271 -1.575 0.000) 3.630 16.219 ( 3.271 1.575 0.000) 3.630 16.219 ( 3.271 1.575 0.000) 3.630 17.288 ( -0.368 -5.668 0.000) 5.680 17.288 ( -0.368 -5.668 0.000) 5.680 17.288 ( 0.368 5.668 0.000) 5.680 17.288 ( 0.368 5.668 0.000) 5.680 17.863 ( -2.810 -4.477 0.000) 5.286 17.863 ( -2.810 -4.477 0.000) 5.286 17.863 ( 2.810 4.477 0.000) 5.286 17.863 ( 2.810 4.477 0.000) 5.286 18.580 ( -0.122 -17.558 0.000) 17.558 18.580 ( -0.122 -17.558 0.000) 17.558 18.580 ( 0.122 17.558 0.000) 17.558 18.580 ( 0.122 17.558 0.000) 17.558 20.840 ( -7.176 -12.709 0.000) 14.595 20.840 ( -7.176 -12.709 0.000) 14.595 20.840 ( 7.176 12.709 0.000) 14.595 20.840 ( 7.176 12.709 0.000) 14.595 21.800 ( -0.280 -12.006 0.000) 12.009 21.800 ( -0.280 -12.006 0.000) 12.009 21.800 ( 0.280 12.006 0.000) 12.009 21.800 ( 0.280 12.006 0.000) 12.009 24.768 ( -2.406 -6.024 0.000) 6.487 24.768 ( -2.406 -6.024 0.000) 6.487 24.768 ( 2.406 6.024 0.000) 6.487 24.768 ( 2.406 6.024 0.000) 6.487 25.803 ( -0.607 -2.351 -0.000) 2.428 25.803 ( -0.607 -2.351 0.000) 2.428 25.803 ( 0.607 2.351 0.000) 2.428 25.803 ( 0.607 2.351 0.000) 2.428 27.373 ( -2.175 -4.523 0.000) 5.019 27.373 ( -2.175 -4.523 0.000) 5.019 27.373 ( 2.175 4.523 0.000) 5.019 27.373 ( 2.175 4.523 0.000) 5.019 27.762 ( -7.216 -0.014 0.000) 7.216 27.762 ( -7.216 -0.014 0.000) 7.216 27.762 ( 7.216 0.014 -0.000) 7.216 27.762 ( 7.216 0.014 0.000) 7.216 28.201 ( -0.078 -1.407 0.000) 1.409 28.201 ( -0.078 -1.407 0.000) 1.409 28.201 ( 0.078 1.407 0.000) 1.409 28.201 ( 0.078 1.407 0.000) 1.409 28.455 ( -0.439 -2.424 0.000) 2.463 28.455 ( -0.439 -2.424 0.000) 2.463 28.455 ( 0.439 2.424 0.000) 2.463 28.455 ( 0.439 2.424 0.000) 2.463 29.033 ( -0.208 -2.169 0.000) 2.179 29.033 ( -0.208 -2.169 0.000) 2.179 29.033 ( 0.208 2.169 0.000) 2.179 29.033 ( 0.208 2.169 0.000) 2.179 29.304 ( -4.109 -0.414 0.000) 4.129 29.304 ( -4.109 -0.414 0.000) 4.129 29.304 ( 4.109 0.414 0.000) 4.129 29.304 ( 4.109 0.414 0.000) 4.129 30.109 ( -1.969 -5.475 0.000) 5.818 30.109 ( -1.969 -5.475 0.000) 5.818 30.109 ( 1.969 5.475 0.000) 5.818 30.109 ( 1.969 5.475 0.000) 5.818 31.718 ( -2.067 -10.962 0.000) 11.155 31.718 ( -2.067 -10.962 0.000) 11.155 31.718 ( 2.067 10.962 0.000) 11.155 31.718 ( 2.067 10.962 0.000) 11.155 32.443 ( -0.298 -8.088 0.000) 8.094 32.443 ( -0.298 -8.088 0.000) 8.094 32.443 ( 0.298 8.088 0.000) 8.094 32.443 ( 0.298 8.088 0.000) 8.094 32.994 ( -0.211 -6.714 0.000) 6.718 32.994 ( -0.211 -6.714 0.000) 6.718 32.994 ( 0.211 6.714 0.000) 6.718 32.994 ( 0.211 6.714 0.000) 6.718 34.524 ( -6.412 -6.133 0.000) 8.873 34.524 ( -6.412 -6.133 0.000) 8.873 34.524 ( 6.412 6.133 0.000) 8.873 34.524 ( 6.412 6.133 0.000) 8.873 =================== 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 3/33696 10.0 2931.661 2739.976 3221.624 0.000 0.000 0.000 3/33696 20.0 667.970 715.727 1020.787 0.000 0.000 0.000 3/33696 30.0 195.096 223.730 316.751 0.000 0.000 0.000 3/33696 40.0 90.505 104.170 147.246 0.000 0.000 0.000 3/33696 50.0 53.729 60.932 85.540 0.000 0.000 0.000 3/33696 60.0 36.856 41.174 57.237 0.000 0.000 0.000 3/33696 70.0 27.649 30.552 42.027 0.000 0.000 0.000 3/33696 80.0 21.996 24.144 32.870 0.000 0.000 0.000 3/33696 90.0 18.222 19.939 26.880 0.000 0.000 0.000 3/33696 100.0 15.547 17.000 22.707 0.000 0.000 0.000 3/33696 110.0 13.559 14.843 19.656 0.000 0.000 0.000 3/33696 120.0 12.030 13.198 17.338 0.000 0.000 0.000 3/33696 130.0 10.818 11.905 15.521 0.000 0.000 0.000 3/33696 140.0 9.834 10.861 14.060 0.000 0.000 0.000 3/33696 150.0 9.021 10.002 12.860 0.000 0.000 0.000 3/33696 160.0 8.336 9.281 11.857 0.000 0.000 0.000 3/33696 170.0 7.751 8.668 11.005 0.000 0.000 0.000 3/33696 180.0 7.246 8.139 10.272 0.000 0.000 0.000 3/33696 190.0 6.805 7.678 9.636 0.000 0.000 0.000 3/33696 200.0 6.417 7.272 9.076 0.000 0.000 0.000 3/33696 210.0 6.072 6.912 8.581 0.000 0.000 0.000 3/33696 220.0 5.763 6.589 8.139 0.000 0.000 0.000 3/33696 230.0 5.486 6.298 7.742 0.000 0.000 0.000 3/33696 240.0 5.235 6.034 7.384 0.000 0.000 0.000 3/33696 250.0 5.006 5.794 7.059 0.000 0.000 0.000 3/33696 260.0 4.797 5.574 6.762 0.000 0.000 0.000 3/33696 270.0 4.606 5.372 6.490 0.000 0.000 0.000 3/33696 280.0 4.429 5.185 6.240 0.000 0.000 0.000 3/33696 290.0 4.266 5.011 6.009 0.000 0.000 0.000 3/33696 300.0 4.115 4.850 5.795 0.000 0.000 0.000 3/33696 310.0 3.975 4.700 5.597 0.000 0.000 0.000 3/33696 320.0 3.844 4.559 5.412 0.000 0.000 0.000 3/33696 330.0 3.722 4.427 5.239 0.000 0.000 0.000 3/33696 340.0 3.607 4.303 5.078 0.000 0.000 0.000 3/33696 350.0 3.500 4.186 4.926 0.000 0.000 0.000 3/33696 360.0 3.399 4.076 4.784 0.000 0.000 0.000 3/33696 370.0 3.304 3.972 4.650 0.000 0.000 0.000 3/33696 380.0 3.214 3.873 4.523 0.000 0.000 0.000 3/33696 390.0 3.129 3.779 4.403 0.000 0.000 0.000 3/33696 400.0 3.048 3.690 4.290 0.000 0.000 0.000 3/33696 410.0 2.972 3.605 4.183 0.000 0.000 0.000 3/33696 420.0 2.900 3.524 4.081 0.000 0.000 0.000 3/33696 430.0 2.831 3.447 3.984 0.000 0.000 0.000 3/33696 440.0 2.765 3.373 3.891 0.000 0.000 0.000 3/33696 450.0 2.703 3.302 3.803 0.000 0.000 0.000 3/33696 460.0 2.643 3.235 3.719 0.000 0.000 0.000 3/33696 470.0 2.586 3.170 3.639 0.000 0.000 0.000 3/33696 480.0 2.531 3.108 3.562 0.000 0.000 0.000 3/33696 490.0 2.479 3.048 3.488 0.000 0.000 0.000 3/33696 500.0 2.429 2.990 3.418 0.000 0.000 0.000 3/33696 510.0 2.381 2.935 3.350 0.000 0.000 0.000 3/33696 520.0 2.334 2.882 3.285 0.000 0.000 0.000 3/33696 530.0 2.290 2.831 3.222 0.000 0.000 0.000 3/33696 540.0 2.247 2.781 3.162 0.000 0.000 0.000 3/33696 550.0 2.206 2.733 3.104 0.000 0.000 0.000 3/33696 560.0 2.167 2.687 3.049 0.000 0.000 0.000 3/33696 570.0 2.128 2.643 2.995 0.000 0.000 0.000 3/33696 580.0 2.092 2.599 2.943 0.000 0.000 0.000 3/33696 590.0 2.056 2.558 2.893 0.000 0.000 0.000 3/33696 600.0 2.022 2.517 2.845 0.000 0.000 0.000 3/33696 610.0 1.989 2.478 2.798 0.000 0.000 0.000 3/33696 620.0 1.956 2.440 2.753 0.000 0.000 0.000 3/33696 630.0 1.925 2.404 2.709 0.000 0.000 0.000 3/33696 640.0 1.895 2.368 2.667 0.000 0.000 0.000 3/33696 650.0 1.866 2.333 2.626 0.000 0.000 0.000 3/33696 660.0 1.838 2.300 2.586 0.000 0.000 0.000 3/33696 670.0 1.810 2.267 2.547 0.000 0.000 0.000 3/33696 680.0 1.784 2.235 2.510 0.000 0.000 0.000 3/33696 690.0 1.758 2.204 2.474 0.000 0.000 0.000 3/33696 700.0 1.733 2.174 2.439 0.000 0.000 0.000 3/33696 710.0 1.709 2.145 2.404 0.000 0.000 0.000 3/33696 720.0 1.685 2.117 2.371 0.000 0.000 0.000 3/33696 730.0 1.662 2.089 2.339 0.000 0.000 0.000 3/33696 740.0 1.640 2.062 2.307 0.000 0.000 0.000 3/33696 750.0 1.618 2.036 2.276 0.000 0.000 0.000 3/33696 760.0 1.597 2.010 2.247 0.000 0.000 0.000 3/33696 770.0 1.576 1.985 2.218 0.000 0.000 0.000 3/33696 780.0 1.556 1.961 2.189 0.000 0.000 0.000 3/33696 790.0 1.536 1.937 2.162 0.000 0.000 0.000 3/33696 800.0 1.517 1.914 2.135 0.000 0.000 0.000 3/33696 810.0 1.498 1.891 2.108 0.000 0.000 0.000 3/33696 820.0 1.480 1.869 2.083 0.000 0.000 0.000 3/33696 830.0 1.462 1.847 2.058 0.000 0.000 0.000 3/33696 840.0 1.445 1.826 2.034 0.000 0.000 0.000 3/33696 850.0 1.428 1.805 2.010 0.000 0.000 0.000 3/33696 860.0 1.412 1.785 1.986 0.000 0.000 0.000 3/33696 870.0 1.396 1.766 1.964 0.000 0.000 0.000 3/33696 880.0 1.380 1.746 1.942 0.000 0.000 0.000 3/33696 890.0 1.364 1.727 1.920 0.000 0.000 0.000 3/33696 900.0 1.349 1.709 1.899 0.000 0.000 0.000 3/33696 910.0 1.335 1.691 1.878 0.000 0.000 0.000 3/33696 920.0 1.320 1.673 1.858 0.000 0.000 0.000 3/33696 930.0 1.306 1.656 1.838 0.000 0.000 0.000 3/33696 940.0 1.292 1.639 1.818 0.000 0.000 0.000 3/33696 950.0 1.279 1.622 1.799 0.000 0.000 0.000 3/33696 960.0 1.265 1.606 1.781 0.000 0.000 0.000 3/33696 970.0 1.252 1.590 1.762 0.000 0.000 0.000 3/33696 980.0 1.240 1.574 1.745 0.000 0.000 0.000 3/33696 990.0 1.227 1.559 1.727 0.000 0.000 0.000 3/33696 1000.0 1.215 1.543 1.710 0.000 0.000 0.000 3/33696 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:02:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|