----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:11:34]------------------------- 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: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.390257030000000 11.220112775000000 b 2.672653405000000 0.000000000000000 11.220112775000000 c 2.672653405000000 6.390257030000000 0.000000000000000 Atomic positions (fractional): *1 S 0.67003581538270 0.94062034190673 0.02678289386748 32.065 2 S 0.57996418461730 0.30937965809327 0.22321710613252 32.065 3 S 0.30937965809327 0.57996418461730 0.88743905115691 32.065 4 S 0.22321710613252 0.88743905115691 0.57996418461730 32.065 5 S 0.36256094884309 0.02678289386748 0.94062034190673 32.065 6 S 0.02678289386748 0.36256094884309 0.67003581538270 32.065 7 S 0.94062034190673 0.67003581538270 0.36256094884309 32.065 8 S 0.88743905115691 0.22321710613252 0.30937965809327 32.065 *9 K 0.32084430249657 0.32084430249657 0.67915569750343 39.098 10 K 0.57084430249657 0.57084430249657 0.92915569750343 39.098 11 K 0.67915569750343 0.67915569750343 0.32084430249657 39.098 12 K 0.92915569750343 0.92915569750343 0.57084430249657 39.098 *13 V 0.75000000000000 0.75000000000000 0.75000000000000 50.941 14 V 0.50000000000000 0.50000000000000 0.50000000000000 50.941 *15 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 16 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.345306809999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.780514060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.440225550000001 Atomic positions (fractional): *1 S 0.98370161788711 0.84840935462509 0.80532807864472 32.065 > 1 2 S 0.26629838211289 0.90159064537491 0.94467192135528 32.065 > 2 3 S 0.23370161788711 0.59840935462509 0.94467192135528 32.065 > 3 4 S 0.23370161788711 0.90159064537491 0.55532807864472 32.065 > 4 5 S 0.98370161788711 0.65159064537491 0.69467192135528 32.065 > 5 6 S 0.51629838211289 0.84840935462509 0.69467192135528 32.065 > 6 7 S 0.51629838211289 0.65159064537491 0.80532807864472 32.065 > 7 8 S 0.26629838211289 0.59840935462509 0.55532807864472 32.065 > 8 9 S 0.98370161788711 0.34840935462509 0.30532807864472 32.065 > 1 10 S 0.26629838211289 0.40159064537491 0.44467192135528 32.065 > 2 11 S 0.23370161788711 0.09840935462509 0.44467192135528 32.065 > 3 12 S 0.23370161788711 0.40159064537491 0.05532807864471 32.065 > 4 13 S 0.98370161788711 0.15159064537491 0.19467192135528 32.065 > 5 14 S 0.51629838211289 0.34840935462509 0.19467192135528 32.065 > 6 15 S 0.51629838211289 0.15159064537491 0.30532807864472 32.065 > 7 16 S 0.26629838211289 0.09840935462509 0.05532807864471 32.065 > 8 17 S 0.48370161788711 0.84840935462509 0.30532807864472 32.065 > 1 18 S 0.76629838211289 0.90159064537491 0.44467192135528 32.065 > 2 19 S 0.73370161788711 0.59840935462509 0.44467192135528 32.065 > 3 20 S 0.73370161788711 0.90159064537491 0.05532807864471 32.065 > 4 21 S 0.48370161788711 0.65159064537491 0.19467192135528 32.065 > 5 22 S 0.01629838211289 0.84840935462509 0.19467192135528 32.065 > 6 23 S 0.01629838211289 0.65159064537491 0.30532807864472 32.065 > 7 24 S 0.76629838211289 0.59840935462509 0.05532807864471 32.065 > 8 25 S 0.48370161788711 0.34840935462509 0.80532807864472 32.065 > 1 26 S 0.76629838211289 0.40159064537491 0.94467192135528 32.065 > 2 27 S 0.73370161788711 0.09840935462509 0.94467192135528 32.065 > 3 28 S 0.73370161788711 0.40159064537491 0.55532807864472 32.065 > 4 29 S 0.48370161788711 0.15159064537491 0.69467192135528 32.065 > 5 30 S 0.01629838211289 0.34840935462509 0.69467192135528 32.065 > 6 31 S 0.01629838211289 0.15159064537491 0.80532807864472 32.065 > 7 32 S 0.76629838211289 0.09840935462509 0.55532807864472 32.065 > 8 *33 K 0.50000000000000 0.00000000000000 0.82084430249657 39.098 > 9 34 K 0.75000000000000 0.75000000000000 0.57084430249657 39.098 > 10 35 K 0.00000000000000 0.00000000000000 0.67915569750343 39.098 > 11 36 K 0.75000000000000 0.75000000000000 0.92915569750343 39.098 > 12 37 K 0.50000000000000 0.50000000000000 0.32084430249657 39.098 > 9 38 K 0.75000000000000 0.25000000000000 0.07084430249657 39.098 > 10 39 K 0.00000000000000 0.50000000000000 0.17915569750343 39.098 > 11 40 K 0.75000000000000 0.25000000000000 0.42915569750343 39.098 > 12 41 K 0.00000000000000 0.00000000000000 0.32084430249657 39.098 > 9 42 K 0.25000000000000 0.75000000000000 0.07084430249657 39.098 > 10 43 K 0.50000000000000 0.00000000000000 0.17915569750343 39.098 > 11 44 K 0.25000000000000 0.75000000000000 0.42915569750343 39.098 > 12 45 K 0.00000000000000 0.50000000000000 0.82084430249657 39.098 > 9 46 K 0.25000000000000 0.25000000000000 0.57084430249657 39.098 > 10 47 K 0.50000000000000 0.50000000000000 0.67915569750343 39.098 > 11 48 K 0.25000000000000 0.25000000000000 0.92915569750343 39.098 > 12 *49 V 0.75000000000000 0.75000000000000 0.75000000000000 50.941 > 13 50 V 0.50000000000000 0.00000000000000 0.00000000000000 50.941 > 14 51 V 0.75000000000000 0.25000000000000 0.25000000000000 50.941 > 13 52 V 0.50000000000000 0.50000000000000 0.50000000000000 50.941 > 14 53 V 0.25000000000000 0.75000000000000 0.25000000000000 50.941 > 13 54 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 > 14 55 V 0.25000000000000 0.25000000000000 0.75000000000000 50.941 > 13 56 V 0.00000000000000 0.50000000000000 0.00000000000000 50.941 > 14 *57 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 15 58 Cu 0.25000000000000 0.75000000000000 0.75000000000000 63.546 > 16 59 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 15 60 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 > 16 61 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 15 62 Cu 0.75000000000000 0.75000000000000 0.25000000000000 63.546 > 16 63 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 15 64 Cu 0.75000000000000 0.25000000000000 0.75000000000000 63.546 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.690613619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.780514060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.440225550000001 Atomic positions (fractional): *1 S 0.49185080894355 0.84840935462509 0.80532807864472 32.065 > 1 2 S 0.99185080894355 0.84840935462509 0.80532807864472 32.065 > 1 3 S 0.13314919105645 0.90159064537491 0.94467192135528 32.065 > 2 4 S 0.63314919105645 0.90159064537491 0.94467192135528 32.065 > 2 5 S 0.11685080894355 0.59840935462509 0.94467192135528 32.065 > 3 6 S 0.61685080894355 0.59840935462509 0.94467192135528 32.065 > 3 7 S 0.11685080894355 0.90159064537491 0.55532807864472 32.065 > 4 8 S 0.61685080894355 0.90159064537491 0.55532807864472 32.065 > 4 9 S 0.49185080894355 0.65159064537491 0.69467192135528 32.065 > 5 10 S 0.99185080894355 0.65159064537491 0.69467192135528 32.065 > 5 11 S 0.25814919105645 0.84840935462509 0.69467192135528 32.065 > 6 12 S 0.75814919105645 0.84840935462509 0.69467192135528 32.065 > 6 13 S 0.25814919105645 0.65159064537491 0.80532807864472 32.065 > 7 14 S 0.75814919105645 0.65159064537491 0.80532807864472 32.065 > 7 15 S 0.13314919105645 0.59840935462509 0.55532807864472 32.065 > 8 16 S 0.63314919105645 0.59840935462509 0.55532807864472 32.065 > 8 17 S 0.49185080894355 0.34840935462509 0.30532807864472 32.065 > 1 18 S 0.99185080894355 0.34840935462509 0.30532807864472 32.065 > 1 19 S 0.13314919105645 0.40159064537491 0.44467192135528 32.065 > 2 20 S 0.63314919105645 0.40159064537491 0.44467192135528 32.065 > 2 21 S 0.11685080894355 0.09840935462509 0.44467192135528 32.065 > 3 22 S 0.61685080894355 0.09840935462509 0.44467192135528 32.065 > 3 23 S 0.11685080894355 0.40159064537491 0.05532807864471 32.065 > 4 24 S 0.61685080894355 0.40159064537491 0.05532807864471 32.065 > 4 25 S 0.49185080894355 0.15159064537491 0.19467192135528 32.065 > 5 26 S 0.99185080894355 0.15159064537491 0.19467192135528 32.065 > 5 27 S 0.25814919105645 0.34840935462509 0.19467192135528 32.065 > 6 28 S 0.75814919105645 0.34840935462509 0.19467192135528 32.065 > 6 29 S 0.25814919105645 0.15159064537491 0.30532807864472 32.065 > 7 30 S 0.75814919105645 0.15159064537491 0.30532807864472 32.065 > 7 31 S 0.13314919105645 0.09840935462509 0.05532807864471 32.065 > 8 32 S 0.63314919105645 0.09840935462509 0.05532807864471 32.065 > 8 33 S 0.24185080894355 0.84840935462509 0.30532807864472 32.065 > 1 34 S 0.74185080894355 0.84840935462509 0.30532807864472 32.065 > 1 35 S 0.38314919105645 0.90159064537491 0.44467192135528 32.065 > 2 36 S 0.88314919105645 0.90159064537491 0.44467192135528 32.065 > 2 37 S 0.36685080894355 0.59840935462509 0.44467192135528 32.065 > 3 38 S 0.86685080894355 0.59840935462509 0.44467192135528 32.065 > 3 39 S 0.36685080894355 0.90159064537491 0.05532807864471 32.065 > 4 40 S 0.86685080894355 0.90159064537491 0.05532807864471 32.065 > 4 41 S 0.24185080894355 0.65159064537491 0.19467192135528 32.065 > 5 42 S 0.74185080894355 0.65159064537491 0.19467192135528 32.065 > 5 43 S 0.00814919105645 0.84840935462509 0.19467192135528 32.065 > 6 44 S 0.50814919105645 0.84840935462509 0.19467192135528 32.065 > 6 45 S 0.00814919105645 0.65159064537491 0.30532807864472 32.065 > 7 46 S 0.50814919105645 0.65159064537491 0.30532807864472 32.065 > 7 47 S 0.38314919105645 0.59840935462509 0.05532807864471 32.065 > 8 48 S 0.88314919105645 0.59840935462509 0.05532807864471 32.065 > 8 49 S 0.24185080894355 0.34840935462509 0.80532807864472 32.065 > 1 50 S 0.74185080894355 0.34840935462509 0.80532807864472 32.065 > 1 51 S 0.38314919105645 0.40159064537491 0.94467192135528 32.065 > 2 52 S 0.88314919105645 0.40159064537491 0.94467192135528 32.065 > 2 53 S 0.36685080894355 0.09840935462509 0.94467192135528 32.065 > 3 54 S 0.86685080894355 0.09840935462509 0.94467192135528 32.065 > 3 55 S 0.36685080894355 0.40159064537491 0.55532807864472 32.065 > 4 56 S 0.86685080894355 0.40159064537491 0.55532807864472 32.065 > 4 57 S 0.24185080894355 0.15159064537491 0.69467192135528 32.065 > 5 58 S 0.74185080894355 0.15159064537491 0.69467192135528 32.065 > 5 59 S 0.00814919105645 0.34840935462509 0.69467192135528 32.065 > 6 60 S 0.50814919105645 0.34840935462509 0.69467192135528 32.065 > 6 61 S 0.00814919105645 0.15159064537491 0.80532807864472 32.065 > 7 62 S 0.50814919105645 0.15159064537491 0.80532807864472 32.065 > 7 63 S 0.38314919105645 0.09840935462509 0.55532807864472 32.065 > 8 64 S 0.88314919105645 0.09840935462509 0.55532807864472 32.065 > 8 *65 K 0.25000000000000 0.00000000000000 0.82084430249657 39.098 > 9 66 K 0.75000000000000 0.00000000000000 0.82084430249657 39.098 > 9 67 K 0.37500000000000 0.75000000000000 0.57084430249657 39.098 > 10 68 K 0.87500000000000 0.75000000000000 0.57084430249657 39.098 > 10 69 K 0.00000000000000 0.00000000000000 0.67915569750343 39.098 > 11 70 K 0.50000000000000 0.00000000000000 0.67915569750343 39.098 > 11 71 K 0.37500000000000 0.75000000000000 0.92915569750343 39.098 > 12 72 K 0.87500000000000 0.75000000000000 0.92915569750343 39.098 > 12 73 K 0.25000000000000 0.50000000000000 0.32084430249657 39.098 > 9 74 K 0.75000000000000 0.50000000000000 0.32084430249657 39.098 > 9 75 K 0.37500000000000 0.25000000000000 0.07084430249657 39.098 > 10 76 K 0.87500000000000 0.25000000000000 0.07084430249657 39.098 > 10 77 K 0.00000000000000 0.50000000000000 0.17915569750343 39.098 > 11 78 K 0.50000000000000 0.50000000000000 0.17915569750343 39.098 > 11 79 K 0.37500000000000 0.25000000000000 0.42915569750343 39.098 > 12 80 K 0.87500000000000 0.25000000000000 0.42915569750343 39.098 > 12 81 K 0.00000000000000 0.00000000000000 0.32084430249657 39.098 > 9 82 K 0.50000000000000 0.00000000000000 0.32084430249657 39.098 > 9 83 K 0.12500000000000 0.75000000000000 0.07084430249657 39.098 > 10 84 K 0.62500000000000 0.75000000000000 0.07084430249657 39.098 > 10 85 K 0.25000000000000 0.00000000000000 0.17915569750343 39.098 > 11 86 K 0.75000000000000 0.00000000000000 0.17915569750343 39.098 > 11 87 K 0.12500000000000 0.75000000000000 0.42915569750343 39.098 > 12 88 K 0.62500000000000 0.75000000000000 0.42915569750343 39.098 > 12 89 K 0.00000000000000 0.50000000000000 0.82084430249657 39.098 > 9 90 K 0.50000000000000 0.50000000000000 0.82084430249657 39.098 > 9 91 K 0.12500000000000 0.25000000000000 0.57084430249657 39.098 > 10 92 K 0.62500000000000 0.25000000000000 0.57084430249657 39.098 > 10 93 K 0.25000000000000 0.50000000000000 0.67915569750343 39.098 > 11 94 K 0.75000000000000 0.50000000000000 0.67915569750343 39.098 > 11 95 K 0.12500000000000 0.25000000000000 0.92915569750343 39.098 > 12 96 K 0.62500000000000 0.25000000000000 0.92915569750343 39.098 > 12 *97 V 0.37500000000000 0.75000000000000 0.75000000000000 50.941 > 13 98 V 0.87500000000000 0.75000000000000 0.75000000000000 50.941 > 13 99 V 0.25000000000000 0.00000000000000 0.00000000000000 50.941 > 14 100 V 0.75000000000000 0.00000000000000 0.00000000000000 50.941 > 14 101 V 0.37500000000000 0.25000000000000 0.25000000000000 50.941 > 13 102 V 0.87500000000000 0.25000000000000 0.25000000000000 50.941 > 13 103 V 0.25000000000000 0.50000000000000 0.50000000000000 50.941 > 14 104 V 0.75000000000000 0.50000000000000 0.50000000000000 50.941 > 14 105 V 0.12500000000000 0.75000000000000 0.25000000000000 50.941 > 13 106 V 0.62500000000000 0.75000000000000 0.25000000000000 50.941 > 13 107 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 > 14 108 V 0.50000000000000 0.00000000000000 0.50000000000000 50.941 > 14 109 V 0.12500000000000 0.25000000000000 0.75000000000000 50.941 > 13 110 V 0.62500000000000 0.25000000000000 0.75000000000000 50.941 > 13 111 V 0.00000000000000 0.50000000000000 0.00000000000000 50.941 > 14 112 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 > 14 *113 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 15 114 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 15 115 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 16 116 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 16 117 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 15 118 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 15 119 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 16 120 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 16 121 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 15 122 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 15 123 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 16 124 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 16 125 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 15 126 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 15 127 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 16 128 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6311871 0.0000000 0.0000000 0.0000000 4.8098847 0.0000000 0.0000000 0.0000000 4.2755999 -------------------------- Born effective charges -------------------------- 1 S -1.4002545 -1.1418932 -0.9727832 -0.4516370 -1.1757184 -0.7656771 -0.2657915 -0.6247012 -0.9834473 2 S -1.4002545 -1.1418932 -0.9727832 -0.4516370 -1.1757184 -0.7656771 -0.2657915 -0.6247012 -0.9834473 3 S -1.4002545 -1.1418932 0.9727832 -0.4516370 -1.1757184 0.7656771 0.2657915 0.6247012 -0.9834473 4 S -1.4002545 1.1418932 -0.9727832 0.4516370 -1.1757184 0.7656771 -0.2657915 0.6247012 -0.9834473 5 S -1.4002545 1.1418932 0.9727832 0.4516370 -1.1757184 -0.7656771 0.2657915 -0.6247012 -0.9834473 6 S -1.4002545 1.1418932 -0.9727832 0.4516370 -1.1757184 0.7656771 -0.2657915 0.6247012 -0.9834473 7 S -1.4002545 -1.1418932 0.9727832 -0.4516370 -1.1757184 0.7656771 0.2657915 0.6247012 -0.9834473 8 S -1.4002545 1.1418932 0.9727832 0.4516370 -1.1757184 -0.7656771 0.2657915 -0.6247012 -0.9834473 9 K 1.1567788 0.0130872 0.0000000 -0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 10 K 1.1567788 -0.0130872 0.0000000 0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 11 K 1.1567788 -0.0130872 0.0000000 0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 12 K 1.1567788 0.0130872 0.0000000 -0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 13 V 3.5579629 0.0000000 0.0000000 -0.0000000 1.6078246 0.0000000 0.0000000 0.0000000 1.0835042 14 V 3.5579629 0.0000000 0.0000000 -0.0000000 1.6078246 0.0000000 0.0000000 0.0000000 1.0835042 15 Cu -0.2705025 0.0000000 0.0000000 -0.0000000 0.2963547 0.0000000 0.0000000 0.0000000 0.3072501 16 Cu -0.2705025 0.0000000 0.0000000 -0.0000000 0.2963547 0.0000000 0.0000000 0.0000000 0.3072501 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 240 - Time: 1.829 Solver_block: 200 / 240 - Time: 1.795 Solver_block: 240 / 240 - Time: 0.780 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.438 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:11:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:11:51]------------------------- 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): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.390257030000000 11.220112775000000 b 2.672653405000000 0.000000000000000 11.220112775000000 c 2.672653405000000 6.390257030000000 0.000000000000000 Atomic positions (fractional): 1 S 0.67003581538270 0.94062034190673 0.02678289386748 32.065 2 S 0.57996418461730 0.30937965809327 0.22321710613252 32.065 3 S 0.30937965809327 0.57996418461730 0.88743905115691 32.065 4 S 0.22321710613252 0.88743905115691 0.57996418461730 32.065 5 S 0.36256094884309 0.02678289386748 0.94062034190673 32.065 6 S 0.02678289386748 0.36256094884309 0.67003581538270 32.065 7 S 0.94062034190673 0.67003581538270 0.36256094884309 32.065 8 S 0.88743905115691 0.22321710613252 0.30937965809327 32.065 9 K 0.32084430249657 0.32084430249657 0.67915569750343 39.098 10 K 0.57084430249657 0.57084430249657 0.92915569750343 39.098 11 K 0.67915569750343 0.67915569750343 0.32084430249657 39.098 12 K 0.92915569750343 0.92915569750343 0.57084430249657 39.098 13 V 0.75000000000000 0.75000000000000 0.75000000000000 50.941 14 V 0.50000000000000 0.50000000000000 0.50000000000000 50.941 15 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 16 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.690613619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.780514060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.440225550000001 Atomic positions (fractional): 1 S 0.49185080894355 0.84840935462509 0.80532807864472 32.065 > 1 2 S 0.99185080894355 0.84840935462509 0.80532807864472 32.065 > 1 3 S 0.13314919105645 0.90159064537491 0.94467192135528 32.065 > 3 4 S 0.63314919105645 0.90159064537491 0.94467192135528 32.065 > 3 5 S 0.11685080894355 0.59840935462509 0.94467192135528 32.065 > 5 6 S 0.61685080894355 0.59840935462509 0.94467192135528 32.065 > 5 7 S 0.11685080894355 0.90159064537491 0.55532807864472 32.065 > 7 8 S 0.61685080894355 0.90159064537491 0.55532807864472 32.065 > 7 9 S 0.49185080894355 0.65159064537491 0.69467192135528 32.065 > 9 10 S 0.99185080894355 0.65159064537491 0.69467192135528 32.065 > 9 11 S 0.25814919105645 0.84840935462509 0.69467192135528 32.065 > 11 12 S 0.75814919105645 0.84840935462509 0.69467192135528 32.065 > 11 13 S 0.25814919105645 0.65159064537491 0.80532807864472 32.065 > 13 14 S 0.75814919105645 0.65159064537491 0.80532807864472 32.065 > 13 15 S 0.13314919105645 0.59840935462509 0.55532807864472 32.065 > 15 16 S 0.63314919105645 0.59840935462509 0.55532807864472 32.065 > 15 17 S 0.49185080894355 0.34840935462509 0.30532807864472 32.065 > 1 18 S 0.99185080894355 0.34840935462509 0.30532807864472 32.065 > 1 19 S 0.13314919105645 0.40159064537491 0.44467192135528 32.065 > 3 20 S 0.63314919105645 0.40159064537491 0.44467192135528 32.065 > 3 21 S 0.11685080894355 0.09840935462509 0.44467192135528 32.065 > 5 22 S 0.61685080894355 0.09840935462509 0.44467192135528 32.065 > 5 23 S 0.11685080894355 0.40159064537491 0.05532807864471 32.065 > 7 24 S 0.61685080894355 0.40159064537491 0.05532807864471 32.065 > 7 25 S 0.49185080894355 0.15159064537491 0.19467192135528 32.065 > 9 26 S 0.99185080894355 0.15159064537491 0.19467192135528 32.065 > 9 27 S 0.25814919105645 0.34840935462509 0.19467192135528 32.065 > 11 28 S 0.75814919105645 0.34840935462509 0.19467192135528 32.065 > 11 29 S 0.25814919105645 0.15159064537491 0.30532807864472 32.065 > 13 30 S 0.75814919105645 0.15159064537491 0.30532807864472 32.065 > 13 31 S 0.13314919105645 0.09840935462509 0.05532807864471 32.065 > 15 32 S 0.63314919105645 0.09840935462509 0.05532807864471 32.065 > 15 33 S 0.24185080894355 0.84840935462509 0.30532807864472 32.065 > 1 34 S 0.74185080894355 0.84840935462509 0.30532807864472 32.065 > 1 35 S 0.38314919105645 0.90159064537491 0.44467192135528 32.065 > 3 36 S 0.88314919105645 0.90159064537491 0.44467192135528 32.065 > 3 37 S 0.36685080894355 0.59840935462509 0.44467192135528 32.065 > 5 38 S 0.86685080894355 0.59840935462509 0.44467192135528 32.065 > 5 39 S 0.36685080894355 0.90159064537491 0.05532807864471 32.065 > 7 40 S 0.86685080894355 0.90159064537491 0.05532807864471 32.065 > 7 41 S 0.24185080894355 0.65159064537491 0.19467192135528 32.065 > 9 42 S 0.74185080894355 0.65159064537491 0.19467192135528 32.065 > 9 43 S 0.00814919105645 0.84840935462509 0.19467192135528 32.065 > 11 44 S 0.50814919105645 0.84840935462509 0.19467192135528 32.065 > 11 45 S 0.00814919105645 0.65159064537491 0.30532807864472 32.065 > 13 46 S 0.50814919105645 0.65159064537491 0.30532807864472 32.065 > 13 47 S 0.38314919105645 0.59840935462509 0.05532807864471 32.065 > 15 48 S 0.88314919105645 0.59840935462509 0.05532807864471 32.065 > 15 49 S 0.24185080894355 0.34840935462509 0.80532807864472 32.065 > 1 50 S 0.74185080894355 0.34840935462509 0.80532807864472 32.065 > 1 51 S 0.38314919105645 0.40159064537491 0.94467192135528 32.065 > 3 52 S 0.88314919105645 0.40159064537491 0.94467192135528 32.065 > 3 53 S 0.36685080894355 0.09840935462509 0.94467192135528 32.065 > 5 54 S 0.86685080894355 0.09840935462509 0.94467192135528 32.065 > 5 55 S 0.36685080894355 0.40159064537491 0.55532807864472 32.065 > 7 56 S 0.86685080894355 0.40159064537491 0.55532807864472 32.065 > 7 57 S 0.24185080894355 0.15159064537491 0.69467192135528 32.065 > 9 58 S 0.74185080894355 0.15159064537491 0.69467192135528 32.065 > 9 59 S 0.00814919105645 0.34840935462509 0.69467192135528 32.065 > 11 60 S 0.50814919105645 0.34840935462509 0.69467192135528 32.065 > 11 61 S 0.00814919105645 0.15159064537491 0.80532807864472 32.065 > 13 62 S 0.50814919105645 0.15159064537491 0.80532807864472 32.065 > 13 63 S 0.38314919105645 0.09840935462509 0.55532807864472 32.065 > 15 64 S 0.88314919105645 0.09840935462509 0.55532807864472 32.065 > 15 65 K 0.25000000000000 0.00000000000000 0.82084430249657 39.098 > 65 66 K 0.75000000000000 0.00000000000000 0.82084430249657 39.098 > 65 67 K 0.37500000000000 0.75000000000000 0.57084430249657 39.098 > 67 68 K 0.87500000000000 0.75000000000000 0.57084430249657 39.098 > 67 69 K 0.00000000000000 0.00000000000000 0.67915569750343 39.098 > 69 70 K 0.50000000000000 0.00000000000000 0.67915569750343 39.098 > 69 71 K 0.37500000000000 0.75000000000000 0.92915569750343 39.098 > 71 72 K 0.87500000000000 0.75000000000000 0.92915569750343 39.098 > 71 73 K 0.25000000000000 0.50000000000000 0.32084430249657 39.098 > 65 74 K 0.75000000000000 0.50000000000000 0.32084430249657 39.098 > 65 75 K 0.37500000000000 0.25000000000000 0.07084430249657 39.098 > 67 76 K 0.87500000000000 0.25000000000000 0.07084430249657 39.098 > 67 77 K 0.00000000000000 0.50000000000000 0.17915569750343 39.098 > 69 78 K 0.50000000000000 0.50000000000000 0.17915569750343 39.098 > 69 79 K 0.37500000000000 0.25000000000000 0.42915569750343 39.098 > 71 80 K 0.87500000000000 0.25000000000000 0.42915569750343 39.098 > 71 81 K 0.00000000000000 0.00000000000000 0.32084430249657 39.098 > 65 82 K 0.50000000000000 0.00000000000000 0.32084430249657 39.098 > 65 83 K 0.12500000000000 0.75000000000000 0.07084430249657 39.098 > 67 84 K 0.62500000000000 0.75000000000000 0.07084430249657 39.098 > 67 85 K 0.25000000000000 0.00000000000000 0.17915569750343 39.098 > 69 86 K 0.75000000000000 0.00000000000000 0.17915569750343 39.098 > 69 87 K 0.12500000000000 0.75000000000000 0.42915569750343 39.098 > 71 88 K 0.62500000000000 0.75000000000000 0.42915569750343 39.098 > 71 89 K 0.00000000000000 0.50000000000000 0.82084430249657 39.098 > 65 90 K 0.50000000000000 0.50000000000000 0.82084430249657 39.098 > 65 91 K 0.12500000000000 0.25000000000000 0.57084430249657 39.098 > 67 92 K 0.62500000000000 0.25000000000000 0.57084430249657 39.098 > 67 93 K 0.25000000000000 0.50000000000000 0.67915569750343 39.098 > 69 94 K 0.75000000000000 0.50000000000000 0.67915569750343 39.098 > 69 95 K 0.12500000000000 0.25000000000000 0.92915569750343 39.098 > 71 96 K 0.62500000000000 0.25000000000000 0.92915569750343 39.098 > 71 97 V 0.37500000000000 0.75000000000000 0.75000000000000 50.941 > 97 98 V 0.87500000000000 0.75000000000000 0.75000000000000 50.941 > 97 99 V 0.25000000000000 0.00000000000000 0.00000000000000 50.941 > 99 100 V 0.75000000000000 0.00000000000000 0.00000000000000 50.941 > 99 101 V 0.37500000000000 0.25000000000000 0.25000000000000 50.941 > 97 102 V 0.87500000000000 0.25000000000000 0.25000000000000 50.941 > 97 103 V 0.25000000000000 0.50000000000000 0.50000000000000 50.941 > 99 104 V 0.75000000000000 0.50000000000000 0.50000000000000 50.941 > 99 105 V 0.12500000000000 0.75000000000000 0.25000000000000 50.941 > 97 106 V 0.62500000000000 0.75000000000000 0.25000000000000 50.941 > 97 107 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 > 99 108 V 0.50000000000000 0.00000000000000 0.50000000000000 50.941 > 99 109 V 0.12500000000000 0.25000000000000 0.75000000000000 50.941 > 97 110 V 0.62500000000000 0.25000000000000 0.75000000000000 50.941 > 97 111 V 0.00000000000000 0.50000000000000 0.00000000000000 50.941 > 99 112 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 > 99 113 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 113 114 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 113 115 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 115 116 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 115 117 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 113 118 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 113 119 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 115 120 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 115 121 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 113 122 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 113 123 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 115 124 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 115 125 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 113 126 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 113 127 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 115 128 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6311871 0.0000000 0.0000000 0.0000000 4.8098847 0.0000000 0.0000000 0.0000000 4.2755999 -------------------------- Born effective charges -------------------------- 1 S -1.4002545 -1.1418932 -0.9727832 -0.4516370 -1.1757184 -0.7656771 -0.2657915 -0.6247012 -0.9834473 2 S -1.4002545 -1.1418932 -0.9727832 -0.4516370 -1.1757184 -0.7656771 -0.2657915 -0.6247012 -0.9834473 3 S -1.4002545 -1.1418932 0.9727832 -0.4516370 -1.1757184 0.7656771 0.2657915 0.6247012 -0.9834473 4 S -1.4002545 1.1418932 -0.9727832 0.4516370 -1.1757184 0.7656771 -0.2657915 0.6247012 -0.9834473 5 S -1.4002545 1.1418932 0.9727832 0.4516370 -1.1757184 -0.7656771 0.2657915 -0.6247012 -0.9834473 6 S -1.4002545 1.1418932 -0.9727832 0.4516370 -1.1757184 0.7656771 -0.2657915 0.6247012 -0.9834473 7 S -1.4002545 -1.1418932 0.9727832 -0.4516370 -1.1757184 0.7656771 0.2657915 0.6247012 -0.9834473 8 S -1.4002545 1.1418932 0.9727832 0.4516370 -1.1757184 -0.7656771 0.2657915 -0.6247012 -0.9834473 9 K 1.1567788 0.0130872 0.0000000 -0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 10 K 1.1567788 -0.0130872 0.0000000 0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 11 K 1.1567788 -0.0130872 0.0000000 0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 12 K 1.1567788 0.0130872 0.0000000 -0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 13 V 3.5579629 0.0000000 0.0000000 -0.0000000 1.6078246 0.0000000 0.0000000 0.0000000 1.0835042 14 V 3.5579629 0.0000000 0.0000000 -0.0000000 1.6078246 0.0000000 0.0000000 0.0000000 1.0835042 15 Cu -0.2705025 0.0000000 0.0000000 -0.0000000 0.2963547 0.0000000 0.0000000 0.0000000 0.3072501 16 Cu -0.2705025 0.0000000 0.0000000 -0.0000000 0.2963547 0.0000000 0.0000000 0.0000000 0.3072501 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000015 (xxx) 0.00000015 (xxx) 0.00000015 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:12:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:12:08]------------------------- 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): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.390257030000000 11.220112775000000 b 2.672653405000000 0.000000000000000 11.220112775000000 c 2.672653405000000 6.390257030000000 0.000000000000000 Atomic positions (fractional): 1 S 0.67003581538270 0.94062034190673 0.02678289386748 32.065 2 S 0.57996418461730 0.30937965809327 0.22321710613252 32.065 3 S 0.30937965809327 0.57996418461730 0.88743905115691 32.065 4 S 0.22321710613252 0.88743905115691 0.57996418461730 32.065 5 S 0.36256094884309 0.02678289386748 0.94062034190673 32.065 6 S 0.02678289386748 0.36256094884309 0.67003581538270 32.065 7 S 0.94062034190673 0.67003581538270 0.36256094884309 32.065 8 S 0.88743905115691 0.22321710613252 0.30937965809327 32.065 9 K 0.32084430249657 0.32084430249657 0.67915569750343 39.098 10 K 0.57084430249657 0.57084430249657 0.92915569750343 39.098 11 K 0.67915569750343 0.67915569750343 0.32084430249657 39.098 12 K 0.92915569750343 0.92915569750343 0.57084430249657 39.098 13 V 0.75000000000000 0.75000000000000 0.75000000000000 50.941 14 V 0.50000000000000 0.50000000000000 0.50000000000000 50.941 15 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 16 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.690613619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.780514060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.440225550000001 Atomic positions (fractional): 1 S 0.49185080894355 0.84840935462509 0.80532807864472 32.065 > 1 2 S 0.99185080894355 0.84840935462509 0.80532807864472 32.065 > 1 3 S 0.13314919105645 0.90159064537491 0.94467192135528 32.065 > 3 4 S 0.63314919105645 0.90159064537491 0.94467192135528 32.065 > 3 5 S 0.11685080894355 0.59840935462509 0.94467192135528 32.065 > 5 6 S 0.61685080894355 0.59840935462509 0.94467192135528 32.065 > 5 7 S 0.11685080894355 0.90159064537491 0.55532807864472 32.065 > 7 8 S 0.61685080894355 0.90159064537491 0.55532807864472 32.065 > 7 9 S 0.49185080894355 0.65159064537491 0.69467192135528 32.065 > 9 10 S 0.99185080894355 0.65159064537491 0.69467192135528 32.065 > 9 11 S 0.25814919105645 0.84840935462509 0.69467192135528 32.065 > 11 12 S 0.75814919105645 0.84840935462509 0.69467192135528 32.065 > 11 13 S 0.25814919105645 0.65159064537491 0.80532807864472 32.065 > 13 14 S 0.75814919105645 0.65159064537491 0.80532807864472 32.065 > 13 15 S 0.13314919105645 0.59840935462509 0.55532807864472 32.065 > 15 16 S 0.63314919105645 0.59840935462509 0.55532807864472 32.065 > 15 17 S 0.49185080894355 0.34840935462509 0.30532807864472 32.065 > 1 18 S 0.99185080894355 0.34840935462509 0.30532807864472 32.065 > 1 19 S 0.13314919105645 0.40159064537491 0.44467192135528 32.065 > 3 20 S 0.63314919105645 0.40159064537491 0.44467192135528 32.065 > 3 21 S 0.11685080894355 0.09840935462509 0.44467192135528 32.065 > 5 22 S 0.61685080894355 0.09840935462509 0.44467192135528 32.065 > 5 23 S 0.11685080894355 0.40159064537491 0.05532807864471 32.065 > 7 24 S 0.61685080894355 0.40159064537491 0.05532807864471 32.065 > 7 25 S 0.49185080894355 0.15159064537491 0.19467192135528 32.065 > 9 26 S 0.99185080894355 0.15159064537491 0.19467192135528 32.065 > 9 27 S 0.25814919105645 0.34840935462509 0.19467192135528 32.065 > 11 28 S 0.75814919105645 0.34840935462509 0.19467192135528 32.065 > 11 29 S 0.25814919105645 0.15159064537491 0.30532807864472 32.065 > 13 30 S 0.75814919105645 0.15159064537491 0.30532807864472 32.065 > 13 31 S 0.13314919105645 0.09840935462509 0.05532807864471 32.065 > 15 32 S 0.63314919105645 0.09840935462509 0.05532807864471 32.065 > 15 33 S 0.24185080894355 0.84840935462509 0.30532807864472 32.065 > 1 34 S 0.74185080894355 0.84840935462509 0.30532807864472 32.065 > 1 35 S 0.38314919105645 0.90159064537491 0.44467192135528 32.065 > 3 36 S 0.88314919105645 0.90159064537491 0.44467192135528 32.065 > 3 37 S 0.36685080894355 0.59840935462509 0.44467192135528 32.065 > 5 38 S 0.86685080894355 0.59840935462509 0.44467192135528 32.065 > 5 39 S 0.36685080894355 0.90159064537491 0.05532807864471 32.065 > 7 40 S 0.86685080894355 0.90159064537491 0.05532807864471 32.065 > 7 41 S 0.24185080894355 0.65159064537491 0.19467192135528 32.065 > 9 42 S 0.74185080894355 0.65159064537491 0.19467192135528 32.065 > 9 43 S 0.00814919105645 0.84840935462509 0.19467192135528 32.065 > 11 44 S 0.50814919105645 0.84840935462509 0.19467192135528 32.065 > 11 45 S 0.00814919105645 0.65159064537491 0.30532807864472 32.065 > 13 46 S 0.50814919105645 0.65159064537491 0.30532807864472 32.065 > 13 47 S 0.38314919105645 0.59840935462509 0.05532807864471 32.065 > 15 48 S 0.88314919105645 0.59840935462509 0.05532807864471 32.065 > 15 49 S 0.24185080894355 0.34840935462509 0.80532807864472 32.065 > 1 50 S 0.74185080894355 0.34840935462509 0.80532807864472 32.065 > 1 51 S 0.38314919105645 0.40159064537491 0.94467192135528 32.065 > 3 52 S 0.88314919105645 0.40159064537491 0.94467192135528 32.065 > 3 53 S 0.36685080894355 0.09840935462509 0.94467192135528 32.065 > 5 54 S 0.86685080894355 0.09840935462509 0.94467192135528 32.065 > 5 55 S 0.36685080894355 0.40159064537491 0.55532807864472 32.065 > 7 56 S 0.86685080894355 0.40159064537491 0.55532807864472 32.065 > 7 57 S 0.24185080894355 0.15159064537491 0.69467192135528 32.065 > 9 58 S 0.74185080894355 0.15159064537491 0.69467192135528 32.065 > 9 59 S 0.00814919105645 0.34840935462509 0.69467192135528 32.065 > 11 60 S 0.50814919105645 0.34840935462509 0.69467192135528 32.065 > 11 61 S 0.00814919105645 0.15159064537491 0.80532807864472 32.065 > 13 62 S 0.50814919105645 0.15159064537491 0.80532807864472 32.065 > 13 63 S 0.38314919105645 0.09840935462509 0.55532807864472 32.065 > 15 64 S 0.88314919105645 0.09840935462509 0.55532807864472 32.065 > 15 65 K 0.25000000000000 0.00000000000000 0.82084430249657 39.098 > 65 66 K 0.75000000000000 0.00000000000000 0.82084430249657 39.098 > 65 67 K 0.37500000000000 0.75000000000000 0.57084430249657 39.098 > 67 68 K 0.87500000000000 0.75000000000000 0.57084430249657 39.098 > 67 69 K 0.00000000000000 0.00000000000000 0.67915569750343 39.098 > 69 70 K 0.50000000000000 0.00000000000000 0.67915569750343 39.098 > 69 71 K 0.37500000000000 0.75000000000000 0.92915569750343 39.098 > 71 72 K 0.87500000000000 0.75000000000000 0.92915569750343 39.098 > 71 73 K 0.25000000000000 0.50000000000000 0.32084430249657 39.098 > 65 74 K 0.75000000000000 0.50000000000000 0.32084430249657 39.098 > 65 75 K 0.37500000000000 0.25000000000000 0.07084430249657 39.098 > 67 76 K 0.87500000000000 0.25000000000000 0.07084430249657 39.098 > 67 77 K 0.00000000000000 0.50000000000000 0.17915569750343 39.098 > 69 78 K 0.50000000000000 0.50000000000000 0.17915569750343 39.098 > 69 79 K 0.37500000000000 0.25000000000000 0.42915569750343 39.098 > 71 80 K 0.87500000000000 0.25000000000000 0.42915569750343 39.098 > 71 81 K 0.00000000000000 0.00000000000000 0.32084430249657 39.098 > 65 82 K 0.50000000000000 0.00000000000000 0.32084430249657 39.098 > 65 83 K 0.12500000000000 0.75000000000000 0.07084430249657 39.098 > 67 84 K 0.62500000000000 0.75000000000000 0.07084430249657 39.098 > 67 85 K 0.25000000000000 0.00000000000000 0.17915569750343 39.098 > 69 86 K 0.75000000000000 0.00000000000000 0.17915569750343 39.098 > 69 87 K 0.12500000000000 0.75000000000000 0.42915569750343 39.098 > 71 88 K 0.62500000000000 0.75000000000000 0.42915569750343 39.098 > 71 89 K 0.00000000000000 0.50000000000000 0.82084430249657 39.098 > 65 90 K 0.50000000000000 0.50000000000000 0.82084430249657 39.098 > 65 91 K 0.12500000000000 0.25000000000000 0.57084430249657 39.098 > 67 92 K 0.62500000000000 0.25000000000000 0.57084430249657 39.098 > 67 93 K 0.25000000000000 0.50000000000000 0.67915569750343 39.098 > 69 94 K 0.75000000000000 0.50000000000000 0.67915569750343 39.098 > 69 95 K 0.12500000000000 0.25000000000000 0.92915569750343 39.098 > 71 96 K 0.62500000000000 0.25000000000000 0.92915569750343 39.098 > 71 97 V 0.37500000000000 0.75000000000000 0.75000000000000 50.941 > 97 98 V 0.87500000000000 0.75000000000000 0.75000000000000 50.941 > 97 99 V 0.25000000000000 0.00000000000000 0.00000000000000 50.941 > 99 100 V 0.75000000000000 0.00000000000000 0.00000000000000 50.941 > 99 101 V 0.37500000000000 0.25000000000000 0.25000000000000 50.941 > 97 102 V 0.87500000000000 0.25000000000000 0.25000000000000 50.941 > 97 103 V 0.25000000000000 0.50000000000000 0.50000000000000 50.941 > 99 104 V 0.75000000000000 0.50000000000000 0.50000000000000 50.941 > 99 105 V 0.12500000000000 0.75000000000000 0.25000000000000 50.941 > 97 106 V 0.62500000000000 0.75000000000000 0.25000000000000 50.941 > 97 107 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 > 99 108 V 0.50000000000000 0.00000000000000 0.50000000000000 50.941 > 99 109 V 0.12500000000000 0.25000000000000 0.75000000000000 50.941 > 97 110 V 0.62500000000000 0.25000000000000 0.75000000000000 50.941 > 97 111 V 0.00000000000000 0.50000000000000 0.00000000000000 50.941 > 99 112 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 > 99 113 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 113 114 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 113 115 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 115 116 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 115 117 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 113 118 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 113 119 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 115 120 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 115 121 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 113 122 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 113 123 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 115 124 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 115 125 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 113 126 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 113 127 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 115 128 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.6311871 0.0000000 0.0000000 0.0000000 4.8098847 0.0000000 0.0000000 0.0000000 4.2755999 -------------------------- Born effective charges -------------------------- 1 S -1.4002545 -1.1418932 -0.9727832 -0.4516370 -1.1757184 -0.7656771 -0.2657915 -0.6247012 -0.9834473 2 S -1.4002545 -1.1418932 -0.9727832 -0.4516370 -1.1757184 -0.7656771 -0.2657915 -0.6247012 -0.9834473 3 S -1.4002545 -1.1418932 0.9727832 -0.4516370 -1.1757184 0.7656771 0.2657915 0.6247012 -0.9834473 4 S -1.4002545 1.1418932 -0.9727832 0.4516370 -1.1757184 0.7656771 -0.2657915 0.6247012 -0.9834473 5 S -1.4002545 1.1418932 0.9727832 0.4516370 -1.1757184 -0.7656771 0.2657915 -0.6247012 -0.9834473 6 S -1.4002545 1.1418932 -0.9727832 0.4516370 -1.1757184 0.7656771 -0.2657915 0.6247012 -0.9834473 7 S -1.4002545 -1.1418932 0.9727832 -0.4516370 -1.1757184 0.7656771 0.2657915 0.6247012 -0.9834473 8 S -1.4002545 1.1418932 0.9727832 0.4516370 -1.1757184 -0.7656771 0.2657915 -0.6247012 -0.9834473 9 K 1.1567788 0.0130872 0.0000000 -0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 10 K 1.1567788 -0.0130872 0.0000000 0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 11 K 1.1567788 -0.0130872 0.0000000 0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 12 K 1.1567788 0.0130872 0.0000000 -0.0204559 1.3993472 0.0000000 0.0000000 0.0000000 1.2715175 13 V 3.5579629 0.0000000 0.0000000 -0.0000000 1.6078246 0.0000000 0.0000000 0.0000000 1.0835042 14 V 3.5579629 0.0000000 0.0000000 -0.0000000 1.6078246 0.0000000 0.0000000 0.0000000 1.0835042 15 Cu -0.2705025 0.0000000 0.0000000 -0.0000000 0.2963547 0.0000000 0.0000000 0.0000000 0.3072501 16 Cu -0.2705025 0.0000000 0.0000000 -0.0000000 0.2963547 0.0000000 0.0000000 0.0000000 0.3072501 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000015 (xxx) 0.00000015 (xxx) 0.00000015 (xxx) 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 ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 285, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.949 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.444 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.296 ( 0.000 0.000 0.000) 0.000 14.041 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.522 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -16.692 6.464 10.407) 20.705 0.540 ( -23.843 7.293 2.447) 25.053 1.112 ( -52.144 8.567 0.811) 52.849 1.216 ( -11.130 0.249 -0.547) 11.146 1.342 ( -23.727 7.099 0.172) 24.766 1.771 ( -21.047 0.597 -0.945) 21.077 1.864 ( -10.190 0.488 0.279) 10.205 1.890 ( 6.751 -1.331 -0.975) 6.949 2.481 ( 1.861 2.635 -0.812) 3.327 2.536 ( 1.525 0.727 0.248) 1.708 2.745 ( 2.792 -0.640 0.063) 2.865 2.813 ( -0.252 -3.390 2.394) 4.158 2.901 ( 2.706 2.687 0.408) 3.835 2.990 ( -2.728 -0.534 -0.592) 2.842 3.106 ( 0.822 -2.371 -1.778) 3.076 3.354 ( 7.436 -2.007 -2.809) 8.199 3.367 ( 6.452 1.037 -0.947) 6.604 3.402 ( -1.545 -5.315 -3.833) 6.732 3.435 ( 3.612 -1.074 -1.199) 3.954 3.515 ( 5.254 -1.349 4.772) 7.225 3.568 ( 2.440 -1.914 3.850) 4.944 3.674 ( -2.526 -2.111 1.393) 3.574 3.722 ( 5.094 9.835 0.583) 11.091 3.730 ( 5.692 10.476 2.272) 12.137 5.300 ( 3.492 -0.687 0.044) 3.559 5.350 ( 2.678 -0.809 -0.282) 2.812 5.388 ( -3.697 0.343 -0.256) 3.722 5.393 ( -3.341 0.699 0.833) 3.514 5.500 ( -7.823 -0.559 0.207) 7.845 5.696 ( -1.699 -0.315 -0.272) 1.749 6.466 ( 4.497 -0.229 -0.291) 4.512 6.483 ( 3.726 -1.984 -0.922) 4.321 7.421 ( -1.198 0.037 0.561) 1.324 7.452 ( -0.640 0.319 0.027) 0.715 7.543 ( -0.423 0.076 0.117) 0.445 7.568 ( -1.095 0.501 -0.057) 1.205 8.412 ( 6.943 0.077 0.011) 6.943 8.421 ( 5.726 -0.090 -0.095) 5.727 8.877 ( -6.425 0.491 0.089) 6.444 8.929 ( -6.256 0.109 -0.115) 6.258 12.224 ( -0.301 -0.057 0.179) 0.355 12.286 ( 0.826 -0.249 -0.169) 0.879 14.057 ( -0.788 0.863 0.134) 1.176 14.195 ( -1.048 -2.083 -0.897) 2.498 14.280 ( 0.972 0.981 -0.450) 1.452 14.286 ( -3.779 2.153 -0.116) 4.350 14.490 ( 0.866 -5.084 0.262) 5.164 14.864 ( -4.201 -6.213 -5.841) 9.506 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -17.284 7.314 7.515) 20.217 1.002 ( -18.720 4.855 2.162) 19.460 1.410 ( -10.973 1.496 -2.965) 11.465 1.678 ( -6.558 2.658 -3.224) 7.776 1.755 ( -0.410 0.815 1.388) 1.661 2.001 ( -23.151 2.355 3.906) 23.596 2.215 ( -32.158 4.212 -3.061) 32.577 2.394 ( -22.315 0.709 -4.173) 22.712 2.456 ( -7.928 -0.342 1.956) 8.173 2.498 ( -0.094 1.144 4.599) 4.740 2.670 ( 2.935 0.905 0.206) 3.078 2.746 ( 9.365 -0.735 -0.041) 9.394 2.878 ( -2.129 0.861 2.655) 3.510 3.048 ( -2.330 -2.030 -3.519) 4.683 3.066 ( -2.013 -1.439 -1.939) 3.143 3.143 ( 9.806 -5.426 -0.494) 11.219 3.242 ( 4.515 1.771 -6.743) 8.306 3.331 ( 8.141 -0.987 -0.976) 8.259 3.378 ( 1.440 0.433 1.866) 2.396 3.431 ( 4.493 0.640 3.792) 5.914 3.564 ( -3.745 0.491 1.089) 3.931 3.660 ( 4.462 3.084 0.782) 5.480 3.718 ( 1.039 2.731 -0.236) 2.931 3.724 ( -1.308 -1.597 2.595) 3.316 5.205 ( 5.739 -0.954 0.120) 5.819 5.263 ( 5.529 -0.871 -0.544) 5.624 5.486 ( -6.085 0.125 0.065) 6.087 5.491 ( -5.870 0.096 0.471) 5.889 5.653 ( -8.333 -1.028 -0.030) 8.396 5.734 ( -2.656 -0.258 0.121) 2.671 6.322 ( 10.721 -0.440 -0.303) 10.734 6.340 ( 10.576 -0.626 -0.126) 10.596 7.455 ( -2.090 0.111 0.153) 2.099 7.473 ( -1.182 0.451 0.079) 1.267 7.555 ( -0.685 0.157 0.275) 0.755 7.596 ( -1.587 -0.067 -0.158) 1.597 8.280 ( 6.702 0.186 0.100) 6.706 8.305 ( 5.980 -0.161 -0.208) 5.986 9.016 ( -7.314 0.609 0.099) 7.340 9.051 ( -6.267 0.157 -0.151) 6.271 12.235 ( -0.733 -0.092 0.195) 0.764 12.265 ( 1.094 -0.165 -0.143) 1.115 14.087 ( -1.154 1.609 0.427) 2.026 14.196 ( -1.287 -2.724 -0.213) 3.020 14.262 ( 1.701 1.641 -0.814) 2.500 14.367 ( -2.478 0.922 -2.647) 3.741 14.443 ( -0.972 -5.386 3.209) 6.345 14.861 ( -0.331 -0.669 -2.692) 2.794 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -16.901 5.707 3.894) 18.259 1.318 ( -11.603 1.562 0.918) 11.743 1.592 ( -9.239 -1.116 -2.354) 9.600 1.699 ( -4.456 -0.080 -4.649) 6.440 1.923 ( -7.102 3.070 3.015) 8.303 2.255 ( -5.022 -0.813 0.701) 5.135 2.309 ( 4.545 -0.080 1.498) 4.786 2.372 ( 8.420 0.357 4.582) 9.592 2.478 ( 7.307 -0.164 -2.562) 7.745 2.560 ( 8.362 1.692 0.648) 8.556 2.818 ( -3.085 -2.094 0.505) 3.763 2.896 ( -1.461 0.478 -1.474) 2.130 2.935 ( 0.041 -1.605 -4.487) 4.766 2.997 ( -2.684 0.236 1.053) 2.893 3.061 ( -0.451 0.386 -1.047) 1.204 3.136 ( -1.184 2.639 1.121) 3.102 3.195 ( -1.787 1.340 -4.648) 5.156 3.259 ( -10.855 -1.256 -0.033) 10.927 3.386 ( 1.395 2.042 6.729) 7.170 3.483 ( -10.848 -1.132 -0.801) 10.936 3.606 ( -0.248 1.060 -0.424) 1.168 3.665 ( 1.992 -0.591 -0.046) 2.079 3.810 ( -22.274 0.055 -1.073) 22.300 3.858 ( -14.665 2.125 1.546) 14.898 5.082 ( 6.362 -0.965 0.192) 6.437 5.133 ( 6.891 -1.015 -0.582) 6.990 5.597 ( -5.281 0.001 0.151) 5.284 5.601 ( -5.174 0.188 0.297) 5.186 5.758 ( -3.804 -1.542 -1.468) 4.360 5.803 ( -4.300 -0.010 1.544) 4.569 6.048 ( 18.191 -0.459 -0.142) 18.198 6.070 ( 17.682 -0.338 -0.154) 17.686 7.495 ( -1.914 0.133 -0.188) 1.928 7.502 ( -1.500 0.370 0.199) 1.557 7.572 ( -0.735 0.253 0.496) 0.922 7.620 ( -1.211 -0.306 -0.353) 1.298 8.177 ( 4.416 0.215 0.178) 4.425 8.205 ( 4.309 -0.158 -0.238) 4.318 9.143 ( -5.513 0.043 -0.480) 5.534 9.159 ( -5.056 0.399 0.409) 5.088 12.246 ( 0.725 0.153 0.071) 0.745 12.250 ( -0.835 -0.104 0.014) 0.842 14.123 ( -0.918 1.744 0.183) 1.979 14.195 ( -0.778 -2.677 0.718) 2.879 14.240 ( 1.370 1.704 -1.211) 2.500 14.352 ( -0.221 -3.816 -2.042) 4.334 14.482 ( -2.069 -0.322 2.765) 3.468 14.844 ( 0.964 0.335 -1.452) 1.774 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -7.328 -0.014 0.293) 7.334 1.528 ( -12.075 1.272 -1.200) 12.201 1.726 ( -7.218 -2.097 -0.127) 7.518 1.794 ( -7.127 -2.043 -2.489) 7.821 2.049 ( -2.765 2.072 0.011) 3.455 2.142 ( 8.662 2.362 3.246) 9.547 2.233 ( 6.059 1.025 3.580) 7.112 2.302 ( 6.396 1.587 -1.352) 6.727 2.378 ( 4.292 0.120 1.863) 4.681 2.467 ( 2.846 0.972 4.739) 5.613 2.683 ( 4.648 -3.020 -3.997) 6.834 2.797 ( 6.061 -0.843 -3.290) 6.947 2.848 ( 2.263 -2.079 -3.816) 4.900 3.010 ( 1.437 -0.203 -0.360) 1.496 3.123 ( -1.779 -1.405 2.780) 3.587 3.184 ( -0.892 3.823 -3.268) 5.108 3.252 ( -3.135 2.663 0.539) 4.149 3.406 ( -2.013 0.625 1.728) 2.726 3.420 ( -2.890 1.399 5.451) 6.326 3.538 ( -0.018 -3.710 -3.339) 4.991 3.609 ( -0.427 0.172 -0.571) 0.733 3.717 ( -3.407 0.729 0.337) 3.500 4.390 ( -35.236 2.283 0.250) 35.311 4.414 ( -35.527 0.725 -0.186) 35.535 4.970 ( 4.391 -0.823 0.091) 4.468 5.002 ( 5.518 -0.756 -0.340) 5.580 5.622 ( 24.812 -0.831 -0.048) 24.826 5.640 ( 22.454 -0.861 0.223) 22.471 5.676 ( -2.465 0.118 -0.058) 2.469 5.686 ( -0.676 0.042 0.163) 0.697 5.799 ( -1.090 -0.542 -0.807) 1.461 5.895 ( -2.124 0.182 0.549) 2.201 7.523 ( -0.953 0.215 0.008) 0.977 7.531 ( -1.148 0.040 -0.141) 1.158 7.590 ( -0.603 0.296 0.593) 0.896 7.632 ( -0.553 -0.316 -0.420) 0.763 8.119 ( 2.061 0.135 0.134) 2.070 8.142 ( 2.123 -0.088 -0.146) 2.130 9.214 ( -2.556 -0.132 -0.358) 2.584 9.244 ( -3.160 0.223 0.303) 3.183 12.240 ( 0.255 0.304 0.231) 0.459 12.262 ( -0.529 -0.112 -0.167) 0.566 14.142 ( -0.132 0.483 -0.558) 0.750 14.195 ( -0.157 -0.480 1.766) 1.837 14.229 ( 0.255 0.611 -1.330) 1.486 14.324 ( -0.301 -2.678 -0.865) 2.830 14.516 ( -0.705 0.123 1.309) 1.492 14.823 ( 0.879 0.284 -0.654) 1.132 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 -0.000 -0.000) 0.000 1.611 ( -0.000 0.000 0.000) 0.000 1.797 ( -0.000 0.000 -0.000) 0.000 1.862 ( -0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.108 ( -0.000 0.000 -0.000) 0.000 2.169 ( -0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 -0.000) 0.000 2.474 ( -0.000 0.000 0.000) 0.000 2.625 ( -0.000 0.000 0.000) 0.000 2.727 ( -0.000 0.000 0.000) 0.000 2.802 ( -0.000 0.000 0.000) 0.000 2.993 ( -0.000 0.000 0.000) 0.000 3.116 ( -0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 -0.000) 0.000 3.296 ( -0.000 -0.000 0.000) 0.000 3.438 ( -0.000 0.000 -0.000) 0.000 3.484 ( -0.000 0.000 0.000) 0.000 3.488 ( 0.000 -0.000 -0.000) 0.000 3.619 ( -0.000 0.000 0.000) 0.000 3.753 ( -0.000 0.000 0.000) 0.000 4.922 ( -0.000 0.000 0.000) 0.000 4.922 ( 0.000 -0.000 -0.000) 0.000 4.989 ( -0.000 0.000 0.000) 0.000 4.989 ( 0.000 -0.000 0.000) 0.000 5.139 ( -0.000 0.000 0.000) 0.000 5.185 ( -0.000 0.000 0.000) 0.000 5.702 ( -0.000 0.000 0.000) 0.000 5.713 ( -0.000 0.000 0.000) 0.000 5.808 ( -0.000 0.000 0.000) 0.000 5.920 ( -0.000 0.000 0.000) 0.000 7.533 ( -0.000 0.000 0.000) 0.000 7.541 ( -0.000 0.000 0.000) 0.000 7.600 ( -0.000 0.000 0.000) 0.000 7.634 ( -0.000 0.000 0.000) 0.000 8.101 ( -0.000 0.000 0.000) 0.000 8.122 ( -0.000 0.000 0.000) 0.000 9.236 ( -0.000 0.000 0.000) 0.000 9.276 ( -0.000 0.000 0.000) 0.000 12.240 ( -0.000 0.000 0.000) 0.000 12.266 ( -0.000 0.000 0.000) 0.000 14.141 ( -0.000 0.000 0.000) 0.000 14.202 ( -0.000 -0.000 -0.000) 0.000 14.226 ( 0.000 0.000 0.000) 0.000 14.314 ( -0.000 0.000 0.000) 0.000 14.525 ( -0.000 0.000 0.000) 0.000 14.814 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.148 ( 0.000 -0.000 16.458) 16.458 0.148 ( 0.000 -0.000 16.461) 16.461 0.313 ( 0.000 -0.000 34.868) 34.868 0.943 ( -0.000 0.000 -1.513) 1.513 1.116 ( -0.000 0.000 -4.389) 4.389 1.600 ( 0.000 -0.000 0.981) 0.981 1.762 ( 0.000 -0.000 0.923) 0.923 1.967 ( -0.000 0.000 -4.643) 4.643 2.470 ( 0.000 -0.000 0.119) 0.119 2.527 ( -0.000 0.000 -3.486) 3.486 2.740 ( 0.000 -0.000 3.310) 3.310 2.904 ( 0.000 -0.000 0.586) 0.586 2.961 ( -0.000 0.000 -1.611) 1.611 3.057 ( 0.000 -0.000 0.055) 0.055 3.124 ( -0.000 0.000 -1.179) 1.179 3.320 ( 0.000 -0.000 0.382) 0.382 3.406 ( -0.000 0.000 -0.162) 0.162 3.438 ( -0.000 0.000 -10.983) 10.983 3.441 ( 0.000 -0.000 1.405) 1.405 3.619 ( -0.000 0.000 -0.434) 0.434 3.665 ( -0.000 0.000 -0.301) 0.301 3.681 ( 0.000 -0.000 10.736) 10.736 3.696 ( -0.000 0.000 -0.266) 0.266 4.025 ( -0.000 0.000 -0.049) 0.049 5.337 ( 0.000 -0.000 0.100) 0.100 5.367 ( 0.000 -0.000 1.696) 1.696 5.371 ( 0.000 -0.000 0.135) 0.135 5.381 ( -0.000 0.000 -0.267) 0.267 5.410 ( -0.000 0.000 -0.193) 0.193 5.672 ( -0.000 0.000 -1.879) 1.879 6.418 ( 0.000 -0.000 0.680) 0.680 6.506 ( -0.000 0.000 -0.382) 0.382 7.445 ( 0.000 -0.000 0.053) 0.053 7.453 ( -0.000 0.000 -0.038) 0.038 7.539 ( 0.000 -0.000 0.065) 0.065 7.551 ( -0.000 0.000 -0.075) 0.075 8.487 ( 0.000 -0.000 0.034) 0.034 8.492 ( -0.000 0.000 -0.027) 0.027 8.803 ( 0.000 -0.000 0.302) 0.302 8.855 ( -0.000 0.000 -0.292) 0.292 12.224 ( 0.000 -0.000 0.410) 0.410 12.294 ( -0.000 0.000 -0.400) 0.400 14.041 ( 0.000 -0.000 0.033) 0.033 14.046 ( -0.000 0.000 -0.021) 0.021 14.235 ( 0.000 -0.000 0.269) 0.269 14.285 ( -0.000 0.000 -0.303) 0.303 14.507 ( 0.000 -0.000 0.077) 0.077 14.521 ( -0.000 0.000 -0.082) 0.082 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -13.313 3.091 18.680) 23.146 0.586 ( -20.243 7.667 9.034) 23.456 1.120 ( -37.776 7.235 0.089) 38.462 1.212 ( -23.645 1.185 0.596) 23.682 1.343 ( -25.489 7.232 -0.061) 26.495 1.756 ( -15.224 0.425 -2.325) 15.406 1.864 ( -5.695 -0.478 -1.171) 5.834 1.875 ( -2.508 0.301 -1.701) 3.046 2.473 ( 0.912 0.093 -0.808) 1.222 2.530 ( 0.390 2.051 -1.746) 2.721 2.758 ( 2.352 -0.689 3.153) 3.993 2.839 ( 2.231 -4.768 2.660) 5.899 2.908 ( 3.269 2.470 1.333) 4.309 2.981 ( -2.797 -0.469 -1.432) 3.177 3.081 ( 2.058 -2.104 -3.532) 4.598 3.292 ( 7.003 -1.605 -9.284) 11.739 3.365 ( 1.857 -0.218 -0.451) 1.923 3.383 ( 3.531 -2.948 0.109) 4.601 3.420 ( 2.357 1.593 -1.171) 3.076 3.568 ( 5.563 -1.752 4.746) 7.520 3.590 ( 3.023 -1.600 0.744) 3.500 3.690 ( -1.311 -1.500 1.000) 2.229 3.752 ( 2.350 4.032 5.962) 7.571 3.764 ( 10.304 9.461 5.737) 15.119 5.301 ( 3.481 -0.704 0.149) 3.554 5.345 ( 2.812 -0.661 -0.753) 2.986 5.389 ( -3.898 -0.504 0.488) 3.961 5.401 ( -2.928 0.974 1.003) 3.245 5.504 ( -7.848 -0.591 0.774) 7.908 5.689 ( -2.055 -0.314 -1.196) 2.399 6.459 ( 3.548 -1.193 -1.259) 3.949 6.473 ( 3.387 -0.154 -1.088) 3.561 7.429 ( -0.628 -0.280 1.042) 1.249 7.452 ( -0.620 0.357 0.079) 0.720 7.545 ( -0.490 -0.001 0.290) 0.569 7.567 ( -1.135 0.453 -0.156) 1.232 8.413 ( 6.904 0.077 0.032) 6.904 8.419 ( 5.801 -0.034 -0.197) 5.804 8.879 ( -6.397 0.534 0.333) 6.428 8.927 ( -6.202 0.258 -0.379) 6.219 12.228 ( -0.248 -0.057 0.515) 0.574 12.283 ( 0.767 -0.229 -0.490) 0.939 14.060 ( -1.010 0.745 0.411) 1.320 14.179 ( -2.594 -1.910 -2.533) 4.097 14.274 ( 0.883 0.916 -0.825) 1.516 14.284 ( -3.225 2.104 -0.289) 3.862 14.494 ( 0.294 -4.992 0.716) 5.051 14.783 ( -8.910 -2.110 -10.581) 13.993 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -14.009 5.821 12.446) 19.622 1.031 ( -17.420 4.927 4.230) 18.591 1.374 ( -11.512 1.932 -5.034) 12.712 1.635 ( -1.583 1.128 -6.471) 6.757 1.775 ( -6.584 1.955 3.310) 7.624 2.045 ( -20.943 1.969 5.425) 21.724 2.177 ( -29.122 4.538 -4.990) 29.893 2.358 ( -21.038 0.726 -3.780) 21.387 2.479 ( -11.238 -0.426 2.948) 11.626 2.540 ( -4.020 1.517 4.610) 6.302 2.676 ( 3.264 -0.428 1.420) 3.586 2.745 ( 9.209 -0.749 -0.072) 9.239 2.906 ( -1.529 0.227 3.385) 3.721 3.001 ( 0.302 -0.885 -6.314) 6.383 3.049 ( -3.910 -0.370 -2.136) 4.471 3.119 ( 5.134 -3.124 -5.658) 8.254 3.198 ( 8.353 -0.336 -1.737) 8.538 3.322 ( 8.888 -1.740 -1.102) 9.124 3.390 ( -1.083 0.154 0.997) 1.480 3.464 ( 4.037 0.055 2.961) 5.007 3.570 ( -0.849 2.684 0.293) 2.830 3.675 ( 4.497 1.557 2.329) 5.298 3.716 ( 0.997 1.884 -0.010) 2.131 3.753 ( -0.233 -1.215 3.671) 3.874 5.207 ( 5.706 -0.979 0.266) 5.795 5.256 ( 5.506 -0.820 -0.941) 5.645 5.488 ( -6.197 -0.244 0.337) 6.211 5.496 ( -5.660 0.223 0.553) 5.691 5.653 ( -7.776 -1.499 -0.009) 7.919 5.735 ( -3.250 0.206 0.092) 3.258 6.318 ( 10.426 -0.709 -0.493) 10.461 6.338 ( 10.589 -0.250 -0.171) 10.593 7.457 ( -1.917 -0.041 0.210) 1.929 7.474 ( -1.201 0.493 0.133) 1.305 7.559 ( -0.757 0.096 0.505) 0.915 7.593 ( -1.509 -0.042 -0.307) 1.541 8.281 ( 6.651 0.162 0.195) 6.656 8.302 ( 6.008 -0.106 -0.362) 6.020 9.017 ( -7.179 0.546 0.221) 7.203 9.049 ( -6.355 0.317 -0.301) 6.370 12.237 ( -0.597 -0.089 0.359) 0.702 12.263 ( 0.955 -0.130 -0.275) 1.002 14.093 ( -1.261 1.215 0.868) 1.954 14.191 ( -1.712 -2.495 -0.897) 3.156 14.254 ( 1.629 1.357 -0.711) 2.236 14.343 ( -1.344 0.662 -2.723) 3.108 14.474 ( -2.111 -4.968 3.563) 6.468 14.829 ( -1.519 0.487 -4.268) 4.556 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -14.253 4.770 5.154) 15.889 1.329 ( -10.383 1.750 1.504) 10.637 1.567 ( -10.225 -0.486 -3.078) 10.689 1.654 ( -5.684 0.181 -5.408) 7.848 1.955 ( -6.483 1.770 4.069) 7.856 2.246 ( -1.296 0.853 -2.473) 2.919 2.337 ( -0.272 -1.054 4.031) 4.176 2.419 ( 6.496 0.786 5.814) 8.753 2.458 ( 6.807 -1.069 -1.833) 7.130 2.563 ( 7.934 2.121 0.078) 8.213 2.828 ( 5.084 -2.231 1.098) 5.660 2.870 ( 1.723 -0.812 -5.172) 5.512 2.887 ( -4.203 2.170 -3.921) 6.144 3.016 ( -5.573 -1.090 2.901) 6.377 3.055 ( 2.889 -1.944 -0.498) 3.517 3.149 ( -1.342 1.848 -4.636) 5.168 3.152 ( -3.788 2.657 1.293) 4.804 3.253 ( -16.271 -1.128 -1.053) 16.344 3.445 ( -0.397 2.734 5.528) 6.180 3.476 ( -5.626 -1.003 0.090) 5.715 3.604 ( -1.676 0.846 0.133) 1.882 3.661 ( 2.382 -0.655 -0.868) 2.618 3.799 ( -21.864 0.608 -1.298) 21.911 3.873 ( -14.129 1.613 1.721) 14.325 5.084 ( 6.369 -1.057 0.321) 6.464 5.127 ( 6.780 -0.906 -0.803) 6.888 5.600 ( -5.257 -0.074 0.322) 5.267 5.603 ( -5.159 0.085 0.287) 5.168 5.745 ( -4.197 -2.100 -1.323) 4.876 5.816 ( -3.853 0.691 1.374) 4.149 6.046 ( 18.045 -0.631 -0.199) 18.057 6.069 ( 17.783 -0.304 -0.184) 17.786 7.494 ( -1.896 0.054 -0.132) 1.901 7.503 ( -1.437 0.371 0.140) 1.491 7.578 ( -0.803 0.204 0.750) 1.117 7.616 ( -1.144 -0.245 -0.569) 1.301 8.179 ( 4.405 0.136 0.270) 4.415 8.202 ( 4.282 -0.072 -0.344) 4.297 9.139 ( -5.321 -0.116 -0.412) 5.339 9.162 ( -5.246 0.577 0.324) 5.287 12.247 ( 0.528 0.137 0.099) 0.555 12.250 ( -0.619 -0.058 0.006) 0.622 14.126 ( -0.827 0.933 0.454) 1.327 14.199 ( -1.443 -2.506 -0.406) 2.920 14.233 ( 1.496 1.515 0.052) 2.130 14.331 ( 0.060 -1.402 -2.426) 2.803 14.508 ( -2.074 -2.386 2.968) 4.337 14.828 ( 0.521 1.037 -1.912) 2.237 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -7.885 -0.289 0.103) 7.891 1.515 ( -9.795 0.193 -1.538) 9.917 1.725 ( -8.168 -1.343 -0.044) 8.278 1.777 ( -8.092 -1.068 -1.365) 8.276 2.051 ( -1.215 0.636 0.360) 1.418 2.175 ( 7.125 3.346 3.959) 8.811 2.264 ( 6.312 0.381 3.252) 7.111 2.292 ( 7.186 1.543 -0.839) 7.398 2.391 ( 5.846 0.231 0.842) 5.911 2.489 ( 2.020 0.336 -0.078) 2.049 2.678 ( 4.950 -1.713 3.315) 6.199 2.764 ( 4.916 0.326 -3.460) 6.020 2.813 ( 1.263 -2.795 -4.080) 5.104 2.986 ( 1.333 1.246 -4.514) 4.869 3.141 ( 1.852 -0.143 -0.364) 1.893 3.171 ( -6.309 -0.900 1.850) 6.636 3.264 ( -2.488 2.873 2.073) 4.329 3.411 ( -3.149 0.510 0.256) 3.200 3.474 ( -0.035 1.621 5.581) 5.812 3.504 ( -0.072 -3.157 -3.996) 5.093 3.605 ( -0.038 0.668 -0.362) 0.761 3.717 ( -3.526 0.609 -0.213) 3.584 4.393 ( -35.212 2.069 0.403) 35.275 4.411 ( -35.592 0.995 -0.335) 35.607 4.971 ( 4.441 -0.972 0.115) 4.548 4.999 ( 5.382 -0.616 -0.365) 5.430 5.622 ( 24.828 -0.825 -0.021) 24.842 5.642 ( 23.554 -0.489 0.075) 23.559 5.677 ( -2.660 -0.045 0.272) 2.675 5.687 ( -1.222 -0.056 0.024) 1.223 5.791 ( -1.844 -1.344 -0.836) 2.430 5.900 ( -1.695 0.767 0.509) 1.929 7.523 ( -1.062 0.141 0.048) 1.072 7.529 ( -1.063 0.048 -0.174) 1.078 7.596 ( -0.479 0.202 0.743) 0.907 7.627 ( -0.631 -0.185 -0.577) 0.875 8.121 ( 2.076 0.003 0.152) 2.081 8.141 ( 2.090 0.035 -0.165) 2.096 9.211 ( -2.781 -0.310 -0.306) 2.815 9.247 ( -2.961 0.392 0.251) 2.997 12.242 ( 0.235 0.165 0.274) 0.397 12.261 ( -0.480 0.034 -0.210) 0.526 14.139 ( -0.149 0.148 -0.098) 0.232 14.201 ( -1.000 -2.178 -0.850) 2.543 14.228 ( 0.631 1.383 1.470) 2.115 14.313 ( 0.265 0.052 -1.489) 1.513 14.528 ( -0.832 -1.851 1.329) 2.426 14.817 ( 0.710 0.835 -0.694) 1.297 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.057 -2.248 -2.587) 3.428 1.633 ( -3.842 0.349 2.494) 4.593 1.800 ( 2.447 1.436 0.564) 2.893 1.863 ( -0.773 1.480 0.262) 1.690 2.068 ( 0.393 -0.177 -0.861) 0.963 2.115 ( 1.386 -2.546 1.268) 3.164 2.165 ( 2.085 0.426 -0.809) 2.277 2.239 ( -0.761 -0.352 1.555) 1.767 2.289 ( 0.421 0.567 -1.043) 1.260 2.448 ( 1.372 -0.555 -4.638) 4.869 2.648 ( 0.453 1.437 4.125) 4.391 2.738 ( -1.183 0.169 1.408) 1.847 2.805 ( -2.564 0.148 1.361) 2.907 2.973 ( -0.914 0.989 -4.241) 4.450 3.110 ( 0.635 0.420 -1.047) 1.295 3.234 ( -1.107 -2.971 3.128) 4.454 3.302 ( 0.835 0.645 1.236) 1.625 3.423 ( 1.090 -2.357 -3.429) 4.301 3.461 ( 0.491 -0.540 -1.578) 1.739 3.515 ( -0.401 2.600 2.699) 3.769 3.621 ( 0.017 0.906 0.425) 1.001 3.752 ( 0.009 -0.096 -0.301) 0.316 4.921 ( 1.059 -0.481 -0.024) 1.163 4.922 ( -0.933 0.246 0.029) 0.965 4.989 ( 2.241 -0.044 0.000) 2.241 4.989 ( -2.102 0.020 0.002) 2.102 5.139 ( -0.992 -0.275 -0.031) 1.030 5.185 ( 0.708 0.758 0.017) 1.038 5.703 ( -0.000 -0.160 0.207) 0.261 5.712 ( 0.046 -0.108 -0.176) 0.212 5.807 ( -0.666 -0.669 -0.046) 0.945 5.920 ( 0.541 0.672 0.020) 0.862 7.533 ( 0.036 -0.067 0.031) 0.083 7.541 ( -0.162 0.003 -0.038) 0.167 7.600 ( 0.335 -0.163 0.012) 0.373 7.634 ( -0.206 0.209 -0.005) 0.293 8.101 ( 0.011 -0.131 -0.000) 0.132 8.122 ( -0.018 0.118 0.000) 0.119 9.236 ( -0.246 -0.214 0.000) 0.326 9.276 ( 0.214 0.204 -0.000) 0.295 12.240 ( 0.072 -0.215 -0.001) 0.227 12.266 ( -0.043 0.208 0.001) 0.212 14.143 ( -0.210 0.227 0.386) 0.495 14.192 ( -0.437 -2.066 -1.544) 2.616 14.236 ( 0.106 0.247 1.686) 1.707 14.311 ( 0.704 3.011 -0.574) 3.145 14.525 ( -0.191 -1.872 0.052) 1.882 14.814 ( -0.091 0.464 -0.005) 0.473 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 6.748 -0.185 -0.227) 6.755 1.536 ( 13.979 -2.158 0.502) 14.154 1.727 ( 6.622 2.749 0.125) 7.171 1.817 ( 6.603 3.053 2.314) 7.634 2.050 ( 3.951 -3.720 0.125) 5.429 2.119 ( -10.110 -1.619 -1.775) 10.392 2.205 ( -5.773 -1.634 -2.557) 6.522 2.317 ( -5.165 -1.385 1.940) 5.688 2.360 ( -2.397 -0.111 -2.236) 3.280 2.424 ( -5.766 -0.645 -4.045) 7.073 2.730 ( -4.487 3.516 5.611) 7.999 2.811 ( -5.455 2.982 -0.390) 6.229 2.888 ( -2.951 0.624 5.358) 6.149 2.990 ( -1.569 1.038 -4.526) 4.902 3.108 ( 0.249 -0.641 -0.701) 0.982 3.216 ( -0.157 -5.227 3.598) 6.347 3.257 ( 3.942 -2.525 1.734) 4.992 3.355 ( 1.422 -0.749 -6.708) 6.898 3.406 ( 4.976 -0.385 -0.525) 5.019 3.561 ( -0.342 3.873 1.672) 4.232 3.616 ( 1.021 0.495 0.800) 1.389 3.712 ( 3.430 -0.997 -0.566) 3.617 4.388 ( 35.228 -2.415 -0.110) 35.311 4.415 ( 35.498 -0.544 0.073) 35.502 4.969 ( -4.358 0.729 -0.048) 4.419 5.004 ( -5.619 0.844 0.201) 5.686 5.623 ( -24.928 0.819 0.052) 24.941 5.638 ( -20.942 1.132 -0.209) 20.974 5.677 ( 2.237 -0.160 0.248) 2.257 5.685 ( -0.219 -0.184 -0.234) 0.370 5.805 ( 0.400 -0.214 0.495) 0.672 5.891 ( 2.582 0.419 -0.365) 2.641 7.523 ( 0.883 -0.270 0.008) 0.924 7.532 ( 1.196 -0.040 0.078) 1.199 7.586 ( 0.681 -0.345 -0.330) 0.832 7.635 ( 0.516 0.397 0.219) 0.687 8.118 ( -2.052 -0.224 -0.076) 2.066 8.144 ( -2.147 0.169 0.084) 2.155 9.217 ( 2.287 -0.066 0.265) 2.303 9.242 ( 3.408 -0.031 -0.231) 3.416 12.238 ( -0.270 -0.389 -0.129) 0.491 12.263 ( 0.569 0.201 0.090) 0.610 14.149 ( 0.143 -1.146 0.996) 1.525 14.179 ( -0.207 0.325 -1.821) 1.862 14.241 ( -0.380 -1.056 1.149) 1.606 14.329 ( 0.897 5.426 0.292) 5.507 14.506 ( 0.546 -1.973 -0.798) 2.197 14.828 ( -1.013 0.118 0.387) 1.091 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 18.376 -6.166 -1.435) 19.436 1.312 ( 12.231 -1.504 -0.307) 12.327 1.606 ( 8.729 1.608 0.846) 8.916 1.731 ( 3.704 0.326 2.037) 4.240 1.904 ( 7.640 -4.136 -1.220) 8.773 2.242 ( 8.600 1.484 -1.314) 8.826 2.310 ( -9.439 -0.536 1.061) 9.513 2.339 ( -8.484 0.082 -2.550) 8.859 2.499 ( -8.938 -0.214 1.573) 9.078 2.552 ( -8.496 -1.074 -0.797) 8.601 2.818 ( 12.309 0.532 0.240) 12.323 2.900 ( -3.501 2.613 -0.292) 4.379 2.964 ( -1.101 1.275 2.354) 2.895 2.990 ( 1.923 -0.229 -1.092) 2.224 3.070 ( 6.948 -2.892 0.549) 7.546 3.137 ( -5.320 -2.915 0.931) 6.137 3.228 ( 8.721 1.110 2.582) 9.163 3.254 ( 1.420 -1.077 -0.795) 1.952 3.336 ( -1.021 -1.057 -3.654) 3.939 3.488 ( 13.600 1.457 0.300) 13.681 3.610 ( -0.744 -1.233 0.348) 1.481 3.664 ( -2.039 0.426 -0.164) 2.090 3.818 ( 23.824 1.146 0.496) 23.857 3.847 ( 13.910 -3.212 -0.703) 14.294 5.081 ( -6.361 0.923 -0.063) 6.428 5.137 ( -6.956 1.070 0.212) 7.041 5.597 ( 5.330 0.018 0.049) 5.330 5.598 ( 5.145 -0.330 -0.211) 5.160 5.771 ( 2.770 0.737 1.216) 3.114 5.790 ( 5.382 0.907 -1.253) 5.599 6.049 ( -18.277 0.365 0.050) 18.281 6.071 ( -17.631 0.354 0.060) 17.635 7.497 ( 2.029 -0.179 0.191) 2.046 7.500 ( 1.437 -0.373 -0.197) 1.498 7.569 ( 0.698 -0.274 -0.173) 0.769 7.622 ( 1.245 0.337 0.119) 1.296 8.176 ( -4.423 -0.254 -0.062) 4.431 8.206 ( -4.325 0.202 0.085) 4.330 9.147 ( 5.908 -0.267 0.339) 5.924 9.155 ( 4.662 -0.164 -0.311) 4.675 12.246 ( -0.828 -0.160 -0.026) 0.844 12.250 ( 0.950 0.130 -0.007) 0.959 14.122 ( 0.968 -2.324 -0.037) 2.518 14.190 ( 0.424 2.888 -0.340) 2.939 14.249 ( -1.390 -2.005 0.563) 2.503 14.366 ( 0.435 6.566 0.960) 6.650 14.463 ( 2.069 -2.004 -1.284) 3.153 14.853 ( -1.243 0.051 0.537) 1.355 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 18.708 -7.886 0.000) 20.302 0.993 ( 19.144 -4.861 0.000) 19.751 1.424 ( 10.778 -1.261 0.000) 10.851 1.693 ( 11.304 -4.392 0.000) 12.127 1.749 ( -4.749 0.670 -0.000) 4.796 1.982 ( 23.549 -2.398 0.000) 23.671 2.229 ( 34.366 -4.189 0.000) 34.621 2.422 ( 36.550 -0.540 0.000) 36.554 2.444 ( -3.558 -0.688 -0.000) 3.624 2.471 ( -5.251 -0.204 -0.000) 5.255 2.669 ( -2.995 -1.345 -0.000) 3.283 2.746 ( -9.426 0.735 -0.000) 9.454 2.865 ( 2.254 -1.032 -0.000) 2.479 3.061 ( 5.436 1.869 0.000) 5.749 3.078 ( -0.940 2.510 0.000) 2.680 3.144 ( -10.341 5.280 0.000) 11.611 3.282 ( -3.584 -1.513 -0.000) 3.890 3.339 ( -9.112 0.408 -0.000) 9.121 3.361 ( -3.079 -0.165 -0.000) 3.084 3.411 ( -3.715 -1.363 -0.000) 3.957 3.557 ( 5.626 0.654 0.000) 5.664 3.658 ( -4.864 -4.116 -0.000) 6.372 3.711 ( 0.830 1.727 0.000) 1.916 3.719 ( -0.049 -2.720 -0.000) 2.721 5.205 ( -5.750 0.947 -0.000) 5.828 5.265 ( -5.541 0.891 -0.000) 5.612 5.487 ( 5.785 -0.930 0.000) 5.860 5.488 ( 6.207 0.610 0.000) 6.237 5.653 ( 8.529 0.862 0.000) 8.572 5.733 ( 2.455 0.422 0.000) 2.491 6.324 ( -10.845 0.305 -0.000) 10.850 6.340 ( -10.571 0.805 -0.000) 10.602 7.454 ( 2.164 -0.176 0.000) 2.171 7.472 ( 1.173 -0.431 0.000) 1.250 7.554 ( 0.663 -0.177 0.000) 0.686 7.596 ( 1.613 0.074 0.000) 1.614 8.279 ( -6.720 -0.194 -0.000) 6.723 8.306 ( -5.974 0.181 -0.000) 5.977 9.016 ( 7.357 -0.629 0.000) 7.384 9.052 ( 6.242 -0.098 0.000) 6.243 12.234 ( 0.780 0.094 0.000) 0.786 12.265 ( -1.142 0.177 -0.000) 1.155 14.085 ( 1.114 -1.748 -0.000) 2.073 14.197 ( 1.115 2.780 0.000) 2.995 14.266 ( -1.729 -1.775 -0.000) 2.478 14.383 ( 3.996 -2.392 -0.000) 4.658 14.424 ( -0.533 6.983 0.000) 7.003 14.874 ( -0.204 1.117 0.000) 1.135 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 0.000 -0.000 15.651) 15.651 0.292 ( 0.000 -0.000 15.886) 15.886 0.619 ( 0.000 -0.000 33.761) 33.761 0.921 ( -0.000 0.000 -3.328) 3.328 1.060 ( -0.000 0.000 -7.814) 7.814 1.614 ( 0.000 -0.000 2.228) 2.228 1.770 ( 0.000 -0.000 0.625) 0.625 1.903 ( -0.000 0.000 -9.719) 9.719 2.470 ( -0.000 0.000 -0.005) 0.005 2.492 ( -0.000 0.000 -3.801) 3.801 2.774 ( 0.000 -0.000 3.958) 3.958 2.912 ( 0.000 -0.000 1.299) 1.299 2.941 ( -0.000 0.000 -2.732) 2.732 3.056 ( -0.000 0.000 -0.595) 0.595 3.111 ( -0.000 0.000 -1.300) 1.300 3.326 ( 0.000 -0.000 0.915) 0.915 3.341 ( -0.000 0.000 -10.350) 10.350 3.403 ( -0.000 0.000 -0.514) 0.514 3.458 ( 0.000 -0.000 2.505) 2.505 3.612 ( -0.000 0.000 -1.185) 1.185 3.662 ( -0.000 0.000 -0.204) 0.204 3.693 ( -0.000 0.000 -0.512) 0.512 3.776 ( 0.000 -0.000 10.134) 10.134 4.023 ( -0.000 0.000 -0.380) 0.380 5.339 ( 0.000 -0.000 0.235) 0.235 5.372 ( -0.000 0.000 -0.167) 0.167 5.379 ( -0.000 0.000 -0.060) 0.060 5.389 ( 0.000 -0.000 3.228) 3.228 5.407 ( -0.000 0.000 -0.374) 0.374 5.648 ( -0.000 0.000 -3.511) 3.511 6.427 ( 0.000 -0.000 1.219) 1.219 6.501 ( -0.000 0.000 -0.751) 0.751 7.445 ( 0.000 -0.000 0.098) 0.098 7.452 ( -0.000 0.000 -0.074) 0.074 7.539 ( 0.000 -0.000 0.125) 0.125 7.550 ( -0.000 0.000 -0.141) 0.141 8.487 ( 0.000 -0.000 0.064) 0.064 8.492 ( -0.000 0.000 -0.052) 0.052 8.807 ( 0.000 -0.000 0.573) 0.573 8.851 ( -0.000 0.000 -0.556) 0.556 12.229 ( 0.000 -0.000 0.778) 0.778 12.289 ( -0.000 0.000 -0.762) 0.762 14.041 ( 0.000 -0.000 0.063) 0.063 14.046 ( -0.000 0.000 -0.044) 0.044 14.238 ( 0.000 -0.000 0.518) 0.518 14.281 ( -0.000 0.000 -0.573) 0.573 14.508 ( 0.000 -0.000 0.146) 0.146 14.520 ( -0.000 0.000 -0.155) 0.155 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -19.618 4.526 9.431) 22.232 0.749 ( -9.469 3.630 21.681) 23.935 1.099 ( -16.106 4.337 -4.685) 17.325 1.242 ( -40.736 3.005 5.732) 41.247 1.338 ( -28.231 7.777 -0.934) 29.297 1.731 ( -5.522 0.191 -3.402) 6.489 1.831 ( -7.678 -0.149 -4.857) 9.087 1.869 ( -9.123 1.205 -0.776) 9.235 2.466 ( 0.013 -1.743 -0.632) 1.854 2.511 ( -1.357 2.592 -2.103) 3.603 2.793 ( 2.120 -0.782 4.156) 4.730 2.855 ( 3.305 -4.756 1.026) 5.881 2.922 ( 3.139 0.831 1.534) 3.592 2.968 ( -2.223 -0.225 -1.170) 2.522 3.050 ( 3.877 -1.512 -3.003) 5.132 3.207 ( 7.303 -1.234 -9.414) 11.978 3.362 ( -1.614 -0.507 0.086) 1.694 3.395 ( 6.395 -2.061 1.532) 6.891 3.415 ( 2.434 2.342 0.160) 3.382 3.568 ( 4.284 0.387 -2.709) 5.084 3.614 ( 4.417 -0.515 3.166) 5.459 3.692 ( -0.436 0.310 -0.333) 0.630 3.802 ( 2.923 0.936 5.266) 6.095 3.829 ( 10.450 3.686 7.315) 13.278 5.303 ( 3.458 -0.744 0.297) 3.550 5.337 ( 2.960 -0.612 -0.956) 3.170 5.395 ( -3.749 -1.034 0.766) 3.964 5.410 ( -2.772 0.874 0.892) 3.041 5.515 ( -7.696 -0.672 1.713) 7.913 5.673 ( -2.968 -0.149 -2.484) 3.874 6.447 ( 2.520 -1.218 -1.206) 3.047 6.465 ( 3.712 0.705 -0.663) 3.836 7.437 ( -0.325 -0.549 0.786) 1.012 7.453 ( -0.580 0.424 0.117) 0.728 7.548 ( -0.638 -0.105 0.352) 0.736 7.565 ( -1.168 0.398 -0.219) 1.254 8.413 ( 6.822 0.070 0.046) 6.822 8.418 ( 5.976 0.026 -0.183) 5.979 8.883 ( -6.321 0.576 0.623) 6.377 8.923 ( -6.169 0.428 -0.657) 6.218 12.233 ( -0.147 -0.066 0.794) 0.810 12.278 ( 0.657 -0.194 -0.764) 1.026 14.065 ( -1.459 0.515 0.716) 1.705 14.152 ( -4.180 -1.481 -3.237) 5.490 14.267 ( 0.754 0.779 -0.588) 1.233 14.281 ( -2.282 2.052 -0.356) 3.090 14.502 ( -0.737 -5.025 0.998) 5.176 14.698 ( -9.995 1.327 -8.065) 12.911 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -11.466 3.450 12.794) 17.523 1.080 ( -14.301 5.542 7.083) 16.894 1.325 ( -12.368 2.293 -5.560) 13.753 1.563 ( -0.701 1.108 -9.655) 9.743 1.814 ( -9.275 1.870 5.312) 10.850 2.075 ( -11.913 1.241 -1.086) 12.026 2.145 ( -33.683 4.981 0.176) 34.050 2.327 ( -22.140 1.358 -3.361) 22.435 2.507 ( -13.528 -0.490 3.208) 13.912 2.577 ( -7.437 1.733 3.698) 8.485 2.693 ( 4.166 -2.700 2.082) 5.384 2.748 ( 9.269 -0.686 1.040) 9.352 2.927 ( 3.443 -1.251 -0.287) 3.675 2.946 ( -1.772 0.563 -4.922) 5.262 3.024 ( -2.178 2.107 -3.461) 4.600 3.063 ( -0.945 -0.680 -5.208) 5.336 3.203 ( 10.900 -3.038 1.978) 11.487 3.310 ( 10.133 -2.394 -1.507) 10.520 3.397 ( -2.216 -0.231 0.644) 2.319 3.480 ( 2.059 0.803 0.654) 2.304 3.573 ( 0.749 2.772 0.611) 2.936 3.689 ( 4.086 3.633 0.457) 5.487 3.723 ( 2.545 -1.789 1.702) 3.546 3.786 ( 0.855 -0.624 3.505) 3.661 5.210 ( 5.657 -1.037 0.438) 5.768 5.246 ( 5.492 -0.745 -1.099) 5.650 5.492 ( -6.216 -0.437 0.448) 6.247 5.500 ( -5.534 0.154 0.465) 5.555 5.653 ( -6.956 -2.182 0.053) 7.291 5.735 ( -4.144 0.875 -0.043) 4.236 6.314 ( 10.135 -0.915 -0.479) 10.187 6.337 ( 10.589 0.074 -0.148) 10.590 7.458 ( -1.741 -0.194 0.172) 1.760 7.475 ( -1.216 0.527 0.135) 1.332 7.564 ( -0.894 -0.007 0.635) 1.096 7.590 ( -1.372 0.013 -0.429) 1.438 8.283 ( 6.569 0.119 0.276) 6.576 8.299 ( 6.069 -0.026 -0.434) 6.085 9.020 ( -6.945 0.432 0.331) 6.966 9.046 ( -6.529 0.543 -0.406) 6.564 12.241 ( -0.386 -0.097 0.466) 0.613 12.260 ( 0.740 -0.077 -0.383) 0.837 14.103 ( -1.407 0.628 1.313) 2.024 14.179 ( -2.013 -1.995 -1.885) 3.404 14.252 ( 1.329 1.113 0.321) 1.763 14.319 ( -0.602 0.804 -2.554) 2.744 14.504 ( -2.915 -5.340 3.213) 6.880 14.790 ( -2.591 1.986 -4.297) 5.397 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -11.071 3.322 4.428) 12.377 1.344 ( -8.647 2.191 1.885) 9.118 1.542 ( -11.402 0.047 -2.104) 11.595 1.605 ( -7.721 0.602 -5.257) 9.360 1.993 ( -5.690 0.381 4.248) 7.111 2.217 ( -2.649 2.689 -3.675) 5.268 2.372 ( -0.069 -1.546 3.681) 3.993 2.441 ( 2.671 -1.181 -1.379) 3.230 2.476 ( 8.901 -0.011 5.820) 10.635 2.564 ( 8.311 2.017 0.517) 8.567 2.789 ( 1.894 0.050 -8.026) 8.247 2.850 ( 2.201 1.905 -0.869) 3.038 2.883 ( 3.476 -1.462 3.300) 5.011 3.035 ( -1.153 -1.477 -0.970) 2.110 3.048 ( 1.447 -2.096 -0.125) 2.550 3.112 ( -5.168 0.338 -1.998) 5.551 3.165 ( -6.410 1.820 0.724) 6.703 3.242 ( -18.818 0.988 -1.177) 18.881 3.458 ( -4.052 -0.194 -0.732) 4.122 3.509 ( -0.321 1.980 5.225) 5.597 3.608 ( -2.194 0.703 0.643) 2.392 3.649 ( 3.377 -0.466 -1.810) 3.859 3.788 ( -22.294 0.580 -1.134) 22.330 3.887 ( -13.179 1.483 1.313) 13.327 5.088 ( 6.392 -1.214 0.396) 6.518 5.120 ( 6.653 -0.735 -0.786) 6.739 5.603 ( -5.230 -0.134 0.343) 5.243 5.606 ( -5.135 -0.005 0.204) 5.139 5.735 ( -4.404 -2.509 -0.961) 5.159 5.827 ( -3.622 1.235 0.960) 3.945 6.044 ( 17.895 -0.832 -0.183) 17.915 6.067 ( 17.904 -0.259 -0.142) 17.906 7.493 ( -1.891 -0.015 -0.074) 1.892 7.504 ( -1.368 0.366 0.077) 1.418 7.585 ( -0.900 0.121 0.897) 1.276 7.610 ( -1.044 -0.154 -0.748) 1.294 8.182 ( 4.400 0.014 0.301) 4.410 8.199 ( 4.251 0.058 -0.360) 4.267 9.136 ( -5.210 -0.223 -0.272) 5.222 9.164 ( -5.355 0.702 0.201) 5.405 12.248 ( 0.243 0.110 0.101) 0.285 12.250 ( -0.315 0.000 -0.015) 0.315 14.131 ( -0.671 0.203 0.730) 1.012 14.188 ( -1.506 -1.938 -1.612) 2.937 14.243 ( 1.003 1.014 1.852) 2.338 14.309 ( 0.293 0.125 -2.606) 2.625 14.532 ( -2.073 -3.881 2.301) 4.965 14.812 ( 0.088 1.888 -1.682) 2.531 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -8.125 -0.819 -0.605) 8.189 1.505 ( -8.226 -0.308 -0.499) 8.247 1.725 ( -9.142 -0.774 0.011) 9.175 1.769 ( -8.773 -0.448 -0.427) 8.795 2.054 ( -0.100 -0.346 0.403) 0.541 2.208 ( 6.109 4.616 3.059) 8.245 2.287 ( 6.797 0.749 0.154) 6.840 2.291 ( 6.748 0.671 2.387) 7.189 2.384 ( 7.118 -0.558 -2.600) 7.598 2.483 ( 3.890 0.124 -0.282) 3.902 2.722 ( 5.939 -1.228 3.405) 6.955 2.747 ( -0.430 0.167 1.644) 1.708 2.778 ( 2.393 -2.091 -3.401) 4.654 2.938 ( 1.400 2.533 -5.897) 6.569 3.131 ( 0.885 0.576 -1.094) 1.520 3.196 ( -6.469 -4.125 2.511) 8.073 3.284 ( -2.562 3.287 1.892) 4.577 3.415 ( -2.584 0.752 0.681) 2.775 3.467 ( -0.157 -3.825 -3.700) 5.324 3.518 ( 1.684 2.328 3.659) 4.653 3.602 ( -0.272 0.997 -0.427) 1.118 3.714 ( -3.742 0.592 -0.425) 3.812 4.397 ( -35.073 1.772 0.492) 35.121 4.408 ( -35.760 1.336 -0.448) 35.788 4.972 ( 4.494 -1.137 0.089) 4.637 4.996 ( 5.260 -0.458 -0.245) 5.286 5.622 ( 24.892 -0.813 -0.004) 24.905 5.642 ( 23.699 -0.197 -0.021) 23.699 5.680 ( -2.098 -0.163 0.439) 2.149 5.687 ( -1.641 -0.114 -0.156) 1.652 5.785 ( -2.426 -1.936 -0.543) 3.151 5.904 ( -1.426 1.153 0.298) 1.858 7.524 ( -1.221 0.063 0.077) 1.225 7.528 ( -0.919 0.075 -0.152) 0.935 7.603 ( -0.281 0.050 0.699) 0.755 7.622 ( -0.793 -0.006 -0.599) 0.994 8.122 ( 2.093 -0.134 0.108) 2.100 8.140 ( 2.057 0.166 -0.115) 2.067 9.209 ( -2.920 -0.426 -0.172) 2.956 9.248 ( -2.842 0.500 0.138) 2.889 12.245 ( 0.224 -0.011 0.212) 0.309 12.259 ( -0.446 0.214 -0.172) 0.523 14.139 ( -0.120 0.028 0.157) 0.200 14.190 ( -1.178 -2.469 -1.090) 2.945 14.246 ( 0.299 0.276 2.101) 2.140 14.298 ( 0.774 2.526 -1.753) 3.171 14.538 ( -0.891 -3.271 0.833) 3.490 14.811 ( 0.568 1.336 -0.452) 1.520 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.738 -2.702 -0.987) 2.970 1.648 ( -5.475 -0.334 0.891) 5.557 1.805 ( 4.380 1.705 0.434) 4.720 1.865 ( -1.686 3.296 0.136) 3.705 2.062 ( 0.318 -1.715 -0.465) 1.805 2.126 ( 3.914 -3.285 0.955) 5.199 2.157 ( 1.948 0.987 -0.734) 2.303 2.257 ( -0.657 -0.818 2.030) 2.285 2.277 ( -0.247 0.783 -1.544) 1.749 2.412 ( 2.657 0.020 -2.519) 3.662 2.684 ( -0.146 1.349 3.150) 3.430 2.736 ( -0.751 0.673 -1.483) 1.794 2.835 ( -4.875 -0.028 4.276) 6.485 2.928 ( -0.674 1.925 -4.799) 5.214 3.103 ( 0.662 -0.065 -0.428) 0.790 3.258 ( -2.421 -4.941 1.741) 5.771 3.316 ( 1.849 2.860 1.662) 3.789 3.390 ( 2.024 -4.395 -3.012) 5.699 3.454 ( 0.237 0.400 -0.343) 0.578 3.532 ( -0.099 2.506 0.936) 2.677 3.625 ( 0.010 1.519 0.295) 1.548 3.749 ( 0.010 -0.178 -0.199) 0.268 4.921 ( 1.292 -0.628 -0.010) 1.436 4.923 ( -1.087 0.248 0.014) 1.115 4.989 ( 3.523 -0.069 0.000) 3.523 4.989 ( -3.299 0.030 0.001) 3.299 5.139 ( -1.594 -0.436 -0.019) 1.653 5.185 ( 1.135 1.219 0.010) 1.665 5.705 ( -0.008 -0.264 0.210) 0.338 5.711 ( 0.083 -0.170 -0.191) 0.269 5.807 ( -1.073 -1.077 -0.028) 1.521 5.920 ( 0.871 1.082 0.012) 1.389 7.534 ( 0.071 -0.114 0.021) 0.135 7.541 ( -0.273 0.010 -0.026) 0.274 7.600 ( 0.543 -0.264 0.007) 0.604 7.634 ( -0.335 0.339 -0.003) 0.476 8.101 ( 0.018 -0.212 -0.000) 0.213 8.122 ( -0.030 0.191 0.000) 0.193 9.236 ( -0.398 -0.345 0.000) 0.527 9.276 ( 0.346 0.330 -0.000) 0.478 12.240 ( 0.117 -0.347 -0.000) 0.366 12.266 ( -0.069 0.337 0.001) 0.344 14.146 ( -0.372 0.652 0.338) 0.823 14.181 ( -0.464 -2.860 -0.792) 3.004 14.249 ( -0.218 -1.084 0.875) 1.410 14.306 ( 1.312 5.571 -0.450) 5.741 14.526 ( -0.306 -3.012 0.032) 3.028 14.814 ( -0.147 0.751 -0.003) 0.766 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 6.493 -0.261 0.000) 6.499 1.538 ( 14.696 -2.478 0.000) 14.903 1.727 ( 6.432 3.007 0.000) 7.100 1.829 ( 6.585 3.538 0.000) 7.475 2.050 ( 4.122 -4.593 -0.000) 6.172 2.111 ( -10.531 -1.303 -0.000) 10.611 2.193 ( -5.690 -1.855 -0.000) 5.985 2.335 ( -8.190 -2.437 -0.000) 8.545 2.339 ( 2.624 0.974 0.000) 2.799 2.405 ( -7.729 -0.352 -0.000) 7.737 2.764 ( -4.619 3.801 0.000) 5.982 2.800 ( -5.216 3.406 0.000) 6.230 2.936 ( 0.265 1.612 0.000) 1.634 2.944 ( -4.704 -0.188 -0.000) 4.707 3.105 ( -0.779 -1.333 -0.000) 1.544 3.234 ( -0.589 -5.921 -0.000) 5.950 3.278 ( 5.115 -4.845 -0.000) 7.045 3.310 ( 1.283 2.206 0.000) 2.552 3.403 ( 5.121 -0.298 0.000) 5.130 3.568 ( -0.517 3.821 0.000) 3.856 3.620 ( 1.255 0.946 0.000) 1.572 3.709 ( 3.483 -1.193 0.000) 3.682 4.388 ( 35.222 -2.461 0.000) 35.308 4.415 ( 35.489 -0.479 0.000) 35.492 4.969 ( -4.347 0.697 -0.000) 4.402 5.005 ( -5.657 0.873 -0.000) 5.724 5.623 ( -25.044 0.805 -0.000) 25.057 5.637 ( -20.255 1.229 -0.000) 20.292 5.679 ( 2.940 -0.076 0.000) 2.941 5.683 ( -1.394 -0.326 -0.000) 1.432 5.807 ( 0.105 -0.541 -0.000) 0.551 5.889 ( 2.795 0.690 0.000) 2.879 7.523 ( 0.858 -0.291 0.000) 0.907 7.532 ( 1.212 -0.040 0.000) 1.212 7.584 ( 0.709 -0.359 -0.000) 0.795 7.636 ( 0.505 0.425 0.000) 0.660 8.118 ( -2.049 -0.254 -0.000) 2.065 8.144 ( -2.155 0.197 -0.000) 2.164 9.218 ( 2.142 -0.168 0.000) 2.148 9.240 ( 3.546 0.068 0.000) 3.546 12.238 ( -0.276 -0.417 -0.000) 0.500 12.264 ( 0.584 0.231 0.000) 0.628 14.156 ( 0.392 -2.865 -0.000) 2.891 14.167 ( -0.531 1.876 0.000) 1.950 14.247 ( -0.535 -1.532 -0.000) 1.623 14.330 ( 1.188 6.722 0.000) 6.827 14.502 ( 0.469 -2.756 -0.000) 2.796 14.829 ( -1.063 0.263 -0.000) 1.095 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.000 -0.000 14.061) 14.061 0.429 ( 0.000 -0.000 14.588) 14.588 0.883 ( -0.000 0.000 -5.120) 5.120 0.912 ( 0.000 -0.000 31.856) 31.856 0.980 ( -0.000 0.000 -9.895) 9.895 1.640 ( 0.000 -0.000 3.583) 3.583 1.769 ( -0.000 0.000 -1.003) 1.003 1.793 ( -0.000 0.000 -15.207) 15.207 2.464 ( -0.000 0.000 -2.274) 2.274 2.469 ( -0.000 0.000 -0.427) 0.427 2.807 ( 0.000 -0.000 3.470) 3.470 2.915 ( -0.000 0.000 -3.148) 3.148 2.927 ( 0.000 -0.000 2.164) 2.164 3.042 ( -0.000 0.000 -2.541) 2.541 3.107 ( 0.000 -0.000 0.517) 0.517 3.257 ( -0.000 0.000 -8.320) 8.320 3.336 ( 0.000 -0.000 1.490) 1.490 3.396 ( -0.000 0.000 -1.046) 1.046 3.484 ( 0.000 -0.000 3.202) 3.202 3.597 ( -0.000 0.000 -2.171) 2.171 3.662 ( 0.000 -0.000 0.247) 0.247 3.687 ( -0.000 0.000 -0.712) 0.712 3.859 ( 0.000 -0.000 8.375) 8.375 4.017 ( -0.000 0.000 -1.178) 1.178 5.342 ( 0.000 -0.000 0.416) 0.416 5.367 ( -0.000 0.000 -0.739) 0.739 5.381 ( 0.000 -0.000 0.481) 0.481 5.403 ( -0.000 0.000 -0.527) 0.527 5.423 ( 0.000 -0.000 4.456) 4.456 5.611 ( -0.000 0.000 -4.725) 4.725 6.439 ( 0.000 -0.000 1.542) 1.542 6.492 ( -0.000 0.000 -1.089) 1.089 7.446 ( 0.000 -0.000 0.130) 0.130 7.451 ( -0.000 0.000 -0.106) 0.106 7.541 ( 0.000 -0.000 0.175) 0.175 7.548 ( -0.000 0.000 -0.192) 0.192 8.488 ( 0.000 -0.000 0.085) 0.085 8.491 ( -0.000 0.000 -0.074) 0.074 8.814 ( 0.000 -0.000 0.785) 0.785 8.846 ( -0.000 0.000 -0.768) 0.768 12.237 ( 0.000 -0.000 1.068) 1.068 12.281 ( -0.000 0.000 -1.052) 1.052 14.042 ( 0.000 -0.000 0.086) 0.086 14.045 ( -0.000 0.000 -0.068) 0.068 14.244 ( 0.000 -0.000 0.727) 0.727 14.275 ( -0.000 0.000 -0.782) 0.782 14.510 ( 0.000 -0.000 0.203) 0.203 14.519 ( -0.000 0.000 -0.212) 0.212 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -17.621 4.089 10.334) 20.833 0.916 ( -13.871 2.661 12.550) 18.894 1.058 ( -9.028 3.380 -1.473) 9.752 1.277 ( -33.494 2.226 -1.638) 33.607 1.353 ( -33.440 8.020 7.640) 35.227 1.683 ( -0.685 0.864 -8.183) 8.257 1.797 ( -14.534 0.852 -1.780) 14.667 1.855 ( -8.706 1.190 -2.358) 9.098 2.462 ( -1.009 -2.194 -0.386) 2.445 2.496 ( -2.323 2.135 -1.137) 3.354 2.826 ( 1.411 -0.945 3.019) 3.464 2.859 ( 3.834 -3.890 0.045) 5.462 2.930 ( -0.427 -1.351 -0.070) 1.418 2.966 ( 0.616 0.464 0.787) 1.102 3.031 ( 5.905 -0.902 -1.166) 6.087 3.129 ( 8.019 -1.089 -7.733) 11.193 3.367 ( -1.510 -0.135 0.796) 1.712 3.398 ( 2.475 -0.236 -0.526) 2.541 3.431 ( 5.918 0.966 3.163) 6.779 3.538 ( 5.038 1.105 -3.854) 6.439 3.636 ( 3.492 -0.530 1.846) 3.985 3.687 ( -0.051 1.323 -0.598) 1.453 3.844 ( 5.036 -1.299 3.872) 6.484 3.882 ( 8.070 1.907 4.371) 9.374 5.306 ( 3.423 -0.819 0.474) 3.551 5.329 ( 3.129 -0.592 -0.955) 3.325 5.401 ( -3.595 -1.187 0.632) 3.838 5.416 ( -2.851 0.549 0.499) 2.946 5.535 ( -7.094 -0.968 2.783) 7.682 5.646 ( -4.220 0.321 -3.432) 5.449 6.440 ( 2.746 -0.947 -0.441) 2.938 6.460 ( 3.522 0.900 -0.569) 3.679 7.442 ( -0.318 -0.675 0.402) 0.848 7.454 ( -0.538 0.479 0.110) 0.729 7.551 ( -0.825 -0.212 0.321) 0.911 7.563 ( -1.157 0.387 -0.234) 1.242 8.413 ( 6.691 0.045 0.053) 6.692 8.416 ( 6.206 0.078 -0.131) 6.208 8.890 ( -6.235 0.596 0.855) 6.321 8.916 ( -6.168 0.547 -0.871) 6.253 12.241 ( -0.005 -0.089 0.987) 0.991 12.270 ( 0.507 -0.148 -0.963) 1.098 14.072 ( -2.136 0.181 1.072) 2.397 14.125 ( -4.525 -0.948 -2.877) 5.445 14.263 ( 0.416 0.661 -0.297) 0.835 14.278 ( -1.239 2.013 -0.291) 2.382 14.511 ( -2.034 -5.433 1.006) 5.887 14.641 ( -8.278 3.295 -4.604) 10.029 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -13.023 2.191 7.296) 15.088 1.159 ( -8.072 4.788 7.850) 12.235 1.289 ( -12.467 2.805 -0.337) 12.783 1.465 ( -2.282 1.860 -12.101) 12.454 1.867 ( -10.056 1.108 6.138) 11.833 2.030 ( -11.668 3.300 -6.572) 13.792 2.175 ( -30.959 2.247 4.181) 31.320 2.298 ( -23.685 2.909 -2.853) 24.033 2.532 ( -15.191 -0.676 2.308) 15.380 2.604 ( -10.349 2.087 2.054) 10.755 2.706 ( 5.547 -5.097 0.751) 7.570 2.770 ( 9.128 -1.340 3.768) 9.966 2.891 ( 6.083 1.379 -4.176) 7.506 2.914 ( 0.927 -0.548 -5.001) 5.116 3.004 ( -2.749 2.734 -0.250) 3.885 3.034 ( -4.691 0.649 -1.858) 5.087 3.225 ( 11.062 -3.892 2.523) 11.995 3.295 ( 11.765 -2.779 -1.816) 12.224 3.402 ( -2.515 -0.553 0.343) 2.598 3.479 ( -0.051 2.352 -0.408) 2.388 3.580 ( 1.269 1.285 0.776) 1.966 3.688 ( 3.760 5.270 -0.381) 6.486 3.739 ( 3.818 -3.944 1.424) 5.671 3.812 ( 1.905 -0.137 2.116) 2.851 5.215 ( 5.603 -1.166 0.535) 5.748 5.237 ( 5.502 -0.613 -0.937) 5.614 5.496 ( -6.190 -0.482 0.324) 6.217 5.504 ( -5.495 0.018 0.248) 5.501 5.654 ( -6.137 -2.858 0.074) 6.770 5.735 ( -5.037 1.530 -0.100) 5.265 6.310 ( 9.958 -1.018 -0.285) 10.014 6.336 ( 10.574 0.259 -0.085) 10.577 7.460 ( -1.625 -0.292 0.091) 1.654 7.476 ( -1.221 0.540 0.082) 1.338 7.570 ( -1.107 -0.165 0.580) 1.260 7.586 ( -1.164 0.130 -0.450) 1.254 8.286 ( 6.468 0.043 0.314) 6.476 8.295 ( 6.159 0.077 -0.408) 6.173 9.023 ( -6.636 0.253 0.313) 6.648 9.043 ( -6.789 0.807 -0.357) 6.846 12.245 ( -0.124 -0.141 0.474) 0.510 12.256 ( 0.473 0.003 -0.423) 0.635 14.116 ( -1.520 -0.062 1.641) 2.237 14.160 ( -2.098 -1.379 -2.180) 3.325 14.259 ( 0.802 1.188 1.157) 1.842 14.298 ( -0.004 0.764 -2.184) 2.314 14.529 ( -3.519 -6.102 2.088) 7.347 14.757 ( -3.142 3.455 -2.799) 5.444 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -8.715 2.008 1.666) 9.097 1.359 ( -6.955 2.538 1.062) 7.479 1.535 ( -11.473 0.489 0.736) 11.507 1.563 ( -10.663 1.045 -3.789) 11.364 2.025 ( -4.749 -1.097 2.231) 5.361 2.188 ( -4.510 4.515 -2.122) 6.725 2.401 ( 1.073 -2.008 2.686) 3.521 2.426 ( 2.296 -1.603 -1.893) 3.380 2.517 ( 9.075 -0.088 2.676) 9.462 2.574 ( 8.345 1.803 1.344) 8.643 2.727 ( 1.263 -0.106 -4.660) 4.829 2.841 ( -0.958 4.261 -0.625) 4.412 2.928 ( 8.506 -2.579 5.629) 10.521 2.994 ( 8.565 -1.328 -5.818) 10.439 3.054 ( -5.067 -1.140 0.392) 5.208 3.114 ( -9.161 -2.754 1.220) 9.644 3.163 ( -8.712 0.882 -0.662) 8.781 3.236 ( -18.515 3.683 -0.327) 18.881 3.452 ( -2.479 -0.975 -0.396) 2.693 3.546 ( -3.489 2.702 2.549) 5.097 3.615 ( 0.268 0.227 1.167) 1.219 3.631 ( 3.819 0.010 -2.133) 4.374 3.781 ( -22.813 0.366 -0.466) 22.821 3.895 ( -12.554 1.473 0.488) 12.650 5.091 ( 6.429 -1.417 0.230) 6.587 5.114 ( 6.552 -0.526 -0.379) 6.584 5.605 ( -5.220 -0.163 0.152) 5.225 5.607 ( -5.107 -0.049 0.073) 5.108 5.729 ( -4.502 -2.740 -0.359) 5.283 5.833 ( -3.527 1.542 0.347) 3.864 6.043 ( 17.804 -0.971 -0.076) 17.831 6.066 ( 17.987 -0.227 -0.052) 17.988 7.493 ( -1.889 -0.053 -0.023) 1.890 7.505 ( -1.326 0.361 0.024) 1.375 7.593 ( -1.084 -0.007 0.855) 1.380 7.603 ( -0.855 -0.023 -0.797) 1.170 8.184 ( 4.409 -0.133 0.165) 4.414 8.196 ( 4.220 0.209 -0.188) 4.229 9.134 ( -5.155 -0.278 -0.095) 5.163 9.166 ( -5.409 0.768 0.068) 5.463 12.249 ( -0.151 0.065 0.059) 0.175 12.250 ( 0.091 0.064 -0.027) 0.114 14.138 ( -0.411 -0.242 0.529) 0.712 14.175 ( -1.689 -1.707 -0.928) 2.574 14.262 ( 0.604 0.543 2.404) 2.538 14.286 ( 0.509 1.181 -2.590) 2.891 14.547 ( -2.066 -4.767 0.886) 5.270 14.801 ( -0.177 2.534 -0.687) 2.632 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 -0.70 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -7.818 -1.152 -0.000) 7.902 1.504 ( -8.056 -0.341 -0.000) 8.064 1.725 ( -9.570 -0.567 -0.000) 9.587 1.768 ( -8.970 -0.250 -0.000) 8.974 2.056 ( 0.291 -0.708 -0.000) 0.766 2.222 ( 5.841 5.335 0.000) 7.911 2.287 ( 7.820 0.668 0.000) 7.849 2.308 ( 4.526 1.368 0.000) 4.728 2.364 ( 8.293 -2.132 0.000) 8.562 2.484 ( 5.557 0.551 0.000) 5.584 2.726 ( -0.096 -2.094 -0.000) 2.096 2.760 ( 4.310 -1.139 0.000) 4.458 2.776 ( 2.185 -0.304 0.000) 2.206 2.903 ( 1.226 3.472 0.000) 3.682 3.126 ( 0.452 0.279 0.000) 0.531 3.208 ( -6.383 -4.779 -0.000) 7.974 3.293 ( -2.878 3.598 0.000) 4.607 3.421 ( -2.389 2.143 0.000) 3.209 3.446 ( 0.170 -5.219 -0.000) 5.222 3.536 ( 2.647 2.374 0.000) 3.556 3.599 ( -0.783 1.079 0.000) 1.333 3.712 ( -3.861 0.599 -0.000) 3.907 4.400 ( -34.566 1.409 -0.000) 34.595 4.405 ( -36.276 1.715 -0.000) 36.317 4.972 ( 4.519 -1.218 0.000) 4.680 4.995 ( 5.209 -0.381 0.000) 5.223 5.622 ( 24.923 -0.808 0.000) 24.936 5.642 ( 23.611 -0.097 0.000) 23.611 5.683 ( -1.148 -0.202 -0.000) 1.166 5.685 ( -2.383 -0.122 -0.000) 2.386 5.782 ( -2.651 -2.157 -0.000) 3.418 5.905 ( -1.337 1.285 0.000) 1.854 7.524 ( -1.373 0.009 -0.000) 1.373 7.527 ( -0.773 0.109 -0.000) 0.781 7.607 ( -0.040 -0.104 -0.000) 0.112 7.619 ( -1.021 0.159 -0.000) 1.034 8.122 ( 2.102 -0.199 0.000) 2.111 8.139 ( 2.043 0.227 0.000) 2.056 9.208 ( -2.967 -0.465 -0.000) 3.004 9.249 ( -2.802 0.537 -0.000) 2.853 12.246 ( 0.225 -0.114 -0.000) 0.252 12.258 ( -0.438 0.319 0.000) 0.541 14.140 ( -0.080 0.038 0.000) 0.088 14.185 ( -1.268 -2.600 -0.000) 2.893 14.258 ( -0.143 -1.593 -0.000) 1.600 14.288 ( 1.269 4.839 0.000) 5.002 14.542 ( -0.905 -3.784 -0.000) 3.891 14.809 ( 0.512 1.542 0.000) 1.625 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 -0.000 10.690) 10.690 0.546 ( 0.000 -0.000 10.889) 10.889 0.836 ( -0.000 0.000 -4.862) 4.862 0.890 ( -0.000 0.000 -9.904) 9.904 1.185 ( 0.000 -0.000 29.066) 29.066 1.633 ( -0.000 0.000 -20.592) 20.592 1.677 ( 0.000 -0.000 4.483) 4.483 1.751 ( -0.000 0.000 -3.037) 3.037 2.453 ( -0.000 0.000 -0.398) 0.398 2.463 ( -0.000 0.000 -0.862) 0.862 2.836 ( 0.000 -0.000 2.947) 2.947 2.887 ( -0.000 0.000 -3.027) 3.027 2.950 ( 0.000 -0.000 3.039) 3.039 3.014 ( -0.000 0.000 -3.655) 3.655 3.120 ( 0.000 -0.000 2.353) 2.353 3.193 ( -0.000 0.000 -6.042) 6.042 3.352 ( 0.000 -0.000 1.867) 1.867 3.384 ( -0.000 0.000 -1.576) 1.576 3.514 ( 0.000 -0.000 3.502) 3.502 3.574 ( -0.000 0.000 -2.973) 2.973 3.666 ( 0.000 -0.000 0.639) 0.639 3.680 ( -0.000 0.000 -0.831) 0.831 3.924 ( 0.000 -0.000 6.301) 6.301 4.001 ( -0.000 0.000 -2.496) 2.496 5.346 ( 0.000 -0.000 0.618) 0.618 5.360 ( -0.000 0.000 -0.856) 0.856 5.386 ( 0.000 -0.000 0.642) 0.642 5.398 ( -0.000 0.000 -0.634) 0.634 5.467 ( 0.000 -0.000 5.273) 5.273 5.565 ( -0.000 0.000 -5.433) 5.433 6.454 ( 0.000 -0.000 1.647) 1.647 6.481 ( -0.000 0.000 -1.374) 1.374 7.448 ( 0.000 -0.000 0.146) 0.146 7.450 ( -0.000 0.000 -0.131) 0.131 7.542 ( 0.000 -0.000 0.211) 0.211 7.546 ( -0.000 0.000 -0.221) 0.221 8.489 ( 0.000 -0.000 0.097) 0.097 8.490 ( -0.000 0.000 -0.090) 0.090 8.821 ( 0.000 -0.000 0.917) 0.917 8.838 ( -0.000 0.000 -0.907) 0.907 12.248 ( 0.000 -0.000 1.251) 1.251 12.271 ( -0.000 0.000 -1.242) 1.242 14.043 ( 0.000 -0.000 0.099) 0.099 14.045 ( -0.000 0.000 -0.088) 0.088 14.251 ( 0.000 -0.000 0.874) 0.874 14.268 ( -0.000 0.000 -0.907) 0.907 14.512 ( 0.000 -0.000 0.241) 0.241 14.516 ( -0.000 0.000 -0.247) 0.247 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -16.445 3.004 9.562) 19.259 0.918 ( -14.381 4.055 -7.155) 16.566 1.126 ( -16.181 2.776 12.257) 20.488 1.224 ( -26.093 3.311 -8.848) 27.751 1.454 ( -23.960 3.738 12.588) 27.323 1.588 ( -11.347 3.784 -12.106) 17.019 1.801 ( -11.337 0.796 2.057) 11.550 1.829 ( -9.035 1.257 -3.088) 9.631 2.460 ( -1.591 -2.076 -0.005) 2.616 2.489 ( -2.841 1.574 -0.415) 3.274 2.846 ( 1.013 -1.432 1.420) 2.257 2.857 ( 4.034 -3.008 -0.469) 5.053 2.926 ( -2.420 -2.189 -0.319) 3.279 2.974 ( 0.442 1.028 0.656) 1.297 3.034 ( 8.362 -1.104 2.020) 8.673 3.071 ( 8.752 -0.918 -5.212) 10.228 3.374 ( -0.850 0.160 0.690) 1.107 3.392 ( 1.106 0.223 -0.615) 1.285 3.464 ( 6.133 0.852 4.011) 7.378 3.501 ( 5.843 1.003 -4.185) 7.257 3.647 ( 2.848 -1.270 0.700) 3.195 3.683 ( 0.169 2.287 -0.351) 2.320 3.868 ( 6.324 -2.688 1.418) 7.016 3.907 ( 6.395 1.875 1.385) 6.807 5.311 ( 3.368 -1.012 0.509) 3.554 5.321 ( 3.264 -0.438 -0.684) 3.364 5.406 ( -3.489 -1.193 0.257) 3.696 5.419 ( -3.032 0.311 0.120) 3.051 5.561 ( -6.014 -2.059 2.582) 6.861 5.616 ( -5.586 1.529 -2.815) 6.439 6.438 ( 3.262 -0.929 -0.038) 3.392 6.456 ( 3.184 1.069 -0.265) 3.369 7.445 ( -0.364 -0.709 0.117) 0.805 7.455 ( -0.518 0.497 0.045) 0.719 7.553 ( -0.981 -0.341 0.161) 1.051 7.561 ( -1.104 0.458 -0.131) 1.202 8.414 ( 6.522 -0.007 0.036) 6.522 8.415 ( 6.434 0.140 -0.060) 6.435 8.898 ( -6.149 0.579 0.951) 6.249 8.907 ( -6.210 0.629 -0.955) 6.314 12.251 ( 0.172 -0.153 1.042) 1.068 12.261 ( 0.324 -0.072 -1.033) 1.085 14.084 ( -3.006 -0.313 1.382) 3.324 14.102 ( -3.910 -0.355 -2.009) 4.410 14.262 ( 0.067 0.600 -0.088) 0.610 14.276 ( -0.512 1.995 -0.113) 2.063 14.518 ( -3.153 -6.136 0.486) 6.915 14.614 ( -6.578 4.536 -1.551) 8.140 ======================= Grid point 48 (30/171) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -10.307 2.016 -0.000) 10.502 1.171 ( -12.777 3.609 -0.000) 13.277 1.350 ( -6.276 2.582 -0.000) 6.786 1.358 ( -5.536 3.197 0.000) 6.393 1.905 ( -9.894 -0.433 -0.000) 9.904 1.990 ( -12.244 5.109 -0.000) 13.267 2.197 ( -29.347 0.440 -0.000) 29.350 2.283 ( -24.674 4.495 -0.000) 25.080 2.543 ( -15.985 -0.810 -0.000) 16.005 2.613 ( -11.344 2.393 -0.000) 11.593 2.709 ( 6.020 -6.165 -0.000) 8.617 2.796 ( 9.739 -2.935 0.000) 10.171 2.872 ( 7.745 0.446 0.000) 7.758 2.881 ( 0.199 3.357 0.000) 3.363 3.007 ( -2.187 0.404 -0.000) 2.224 3.025 ( -6.087 2.573 -0.000) 6.609 3.239 ( 10.344 -4.262 0.000) 11.188 3.284 ( 13.137 -2.765 0.000) 13.425 3.403 ( -2.528 -0.701 -0.000) 2.624 3.477 ( -0.908 3.031 0.000) 3.164 3.584 ( 1.257 0.525 0.000) 1.363 3.686 ( 3.888 5.728 0.000) 6.923 3.745 ( 4.082 -4.419 -0.000) 6.016 3.822 ( 2.316 0.031 0.000) 2.316 5.218 ( 5.569 -1.349 0.000) 5.730 5.232 ( 5.520 -0.431 0.000) 5.537 5.497 ( -6.170 -0.472 -0.000) 6.188 5.505 ( -5.497 -0.054 -0.000) 5.497 5.654 ( -5.772 -3.156 -0.000) 6.578 5.734 ( -5.430 1.817 -0.000) 5.726 6.309 ( 9.904 -1.047 0.000) 9.959 6.335 ( 10.565 0.318 0.000) 10.569 7.460 ( -1.587 -0.324 -0.000) 1.620 7.476 ( -1.221 0.542 -0.000) 1.336 7.573 ( -1.305 -0.328 -0.000) 1.346 7.583 ( -0.968 0.277 -0.000) 1.007 8.288 ( 6.402 -0.073 0.000) 6.403 8.292 ( 6.222 0.202 0.000) 6.225 9.025 ( -6.437 0.119 -0.000) 6.438 9.041 ( -6.969 0.972 -0.000) 7.037 12.248 ( 0.088 -0.248 -0.000) 0.263 12.253 ( 0.259 0.124 0.000) 0.287 14.127 ( -1.434 -0.626 -0.000) 1.564 14.146 ( -2.245 -0.860 -0.000) 2.404 14.268 ( 0.297 1.648 0.000) 1.675 14.285 ( 0.501 0.346 0.000) 0.609 14.539 ( -3.772 -6.577 -0.000) 7.582 14.744 ( -3.267 4.168 0.000) 5.296 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.000 0.000 -0.964) 0.964 0.597 ( 0.000 -0.000 0.964) 0.964 0.823 ( -0.000 0.000 -3.536) 3.536 0.823 ( 0.000 -0.000 3.536) 3.536 1.428 ( -0.000 0.000 -25.305) 25.305 1.428 ( 0.000 -0.000 25.305) 25.305 1.717 ( -0.000 0.000 -4.363) 4.363 1.717 ( 0.000 -0.000 4.363) 4.363 2.455 ( -0.000 0.000 -0.736) 0.736 2.455 ( 0.000 -0.000 0.736) 0.736 2.861 ( -0.000 0.000 -2.820) 2.820 2.861 ( 0.000 -0.000 2.820) 2.820 2.981 ( -0.000 0.000 -3.650) 3.650 2.981 ( 0.000 -0.000 3.650) 3.650 3.148 ( -0.000 0.000 -4.040) 4.040 3.148 ( 0.000 -0.000 4.040) 4.040 3.369 ( -0.000 0.000 -1.895) 1.895 3.369 ( 0.000 -0.000 1.895) 1.895 3.545 ( -0.000 0.000 -3.424) 3.424 3.545 ( 0.000 -0.000 3.424) 3.424 3.673 ( -0.000 0.000 -0.824) 0.824 3.673 ( 0.000 -0.000 0.824) 0.824 3.971 ( -0.000 0.000 -4.260) 4.260 3.971 ( 0.000 -0.000 4.260) 4.260 5.353 ( -0.000 0.000 -0.787) 0.787 5.353 ( 0.000 -0.000 0.787) 0.787 5.392 ( -0.000 0.000 -0.679) 0.679 5.392 ( 0.000 -0.000 0.679) 0.679 5.516 ( -0.000 0.000 -5.612) 5.612 5.516 ( 0.000 -0.000 5.612) 5.612 6.468 ( -0.000 0.000 -1.574) 1.574 6.468 ( 0.000 -0.000 1.574) 1.574 7.449 ( -0.000 0.000 -0.145) 0.145 7.449 ( 0.000 -0.000 0.145) 0.145 7.544 ( -0.000 0.000 -0.227) 0.227 7.544 ( 0.000 -0.000 0.227) 0.227 8.489 ( -0.000 0.000 -0.098) 0.098 8.489 ( 0.000 -0.000 0.098) 0.098 8.830 ( -0.000 0.000 -0.959) 0.959 8.830 ( 0.000 -0.000 0.959) 0.959 12.259 ( -0.000 0.000 -1.311) 1.311 12.259 ( 0.000 -0.000 1.311) 1.311 14.044 ( -0.000 0.000 -0.100) 0.100 14.044 ( 0.000 -0.000 0.100) 0.100 14.259 ( -0.000 0.000 -0.938) 0.938 14.259 ( 0.000 -0.000 0.938) 0.938 14.514 ( -0.000 0.000 -0.257) 0.257 14.514 ( 0.000 -0.000 0.257) 0.257 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 0.000 15.951 0.000) 15.951 0.387 ( 0.000 24.212 0.000) 24.212 0.560 ( 0.000 34.999 0.000) 34.999 1.038 ( 0.000 10.290 0.000) 10.290 1.221 ( 0.000 10.317 0.000) 10.317 1.607 ( 0.000 1.274 0.000) 1.274 1.770 ( 0.000 1.573 0.000) 1.573 1.948 ( -0.000 -4.923 -0.000) 4.923 2.551 ( 0.000 0.802 0.000) 0.802 2.611 ( 0.000 0.842 0.000) 0.842 2.730 ( 0.000 0.784 0.000) 0.784 2.764 ( -0.000 -2.019 -0.000) 2.019 2.876 ( -0.000 -3.290 -0.000) 3.290 2.962 ( -0.000 -0.784 -0.000) 0.784 3.106 ( -0.000 -2.928 -0.000) 2.928 3.307 ( -0.000 -0.938 -0.000) 0.938 3.424 ( -0.000 -2.197 -0.000) 2.197 3.466 ( -0.000 -2.323 -0.000) 2.323 3.525 ( 0.000 1.738 0.000) 1.738 3.533 ( -0.000 -0.669 -0.000) 0.669 3.533 ( -0.000 -5.367 -0.000) 5.367 3.625 ( 0.000 0.294 0.000) 0.294 3.769 ( 0.000 5.360 0.000) 5.360 4.244 ( -0.000 -1.533 -0.000) 1.533 5.328 ( -0.000 -1.016 -0.000) 1.016 5.335 ( -0.000 -1.771 -0.000) 1.771 5.354 ( -0.000 -2.142 -0.000) 2.142 5.388 ( -0.000 -2.778 -0.000) 2.778 5.433 ( 0.000 2.325 0.000) 2.325 5.676 ( -0.000 -0.689 -0.000) 0.689 6.425 ( 0.000 1.110 0.000) 1.110 6.506 ( -0.000 -0.152 -0.000) 0.152 7.408 ( 0.000 0.172 0.000) 0.172 7.443 ( -0.000 -0.163 -0.000) 0.163 7.540 ( 0.000 0.166 0.000) 0.166 7.581 ( -0.000 -0.165 -0.000) 0.165 8.488 ( 0.000 0.124 0.000) 0.124 8.493 ( 0.000 0.089 0.000) 0.089 8.813 ( 0.000 1.267 0.000) 1.267 8.858 ( 0.000 0.225 0.000) 0.225 12.221 ( -0.000 -0.104 -0.000) 0.104 12.292 ( -0.000 -0.531 -0.000) 0.531 14.043 ( 0.000 0.108 0.000) 0.108 14.165 ( -0.000 -3.088 -0.000) 3.088 14.272 ( 0.000 3.523 0.000) 3.523 14.302 ( 0.000 1.912 0.000) 1.912 14.506 ( 0.000 0.113 0.000) 0.113 14.513 ( -0.000 -0.939 -0.000) 0.939 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -14.392 13.807 5.932) 20.807 0.743 ( -14.647 17.194 2.115) 22.686 1.267 ( -8.884 7.068 -1.398) 11.438 1.337 ( -41.854 17.747 1.257) 45.478 1.501 ( -16.502 11.946 0.058) 20.372 1.787 ( -20.400 1.110 -1.774) 20.507 1.843 ( 2.488 -3.916 0.312) 4.650 1.886 ( -9.712 1.794 0.725) 9.903 2.514 ( 3.798 1.081 -4.713) 6.149 2.556 ( 2.699 1.374 3.178) 4.390 2.722 ( 2.135 -2.302 -0.356) 3.160 2.786 ( -1.660 0.142 1.271) 2.096 2.890 ( -0.262 -4.424 0.346) 4.445 2.975 ( -2.367 -1.259 -0.444) 2.718 3.054 ( 0.628 -3.852 -1.752) 4.277 3.284 ( 7.928 -5.993 -2.518) 10.252 3.325 ( 0.794 -2.374 -0.229) 2.513 3.408 ( 4.112 2.095 -1.585) 4.880 3.427 ( 2.942 -0.091 1.049) 3.125 3.496 ( 2.689 -1.329 2.129) 3.678 3.557 ( 2.892 -0.236 1.793) 3.411 3.646 ( -2.326 -1.544 1.436) 3.140 3.788 ( 2.222 3.596 0.904) 4.322 3.938 ( 17.623 8.534 -0.997) 19.606 5.282 ( 3.292 -1.514 0.030) 3.623 5.330 ( 1.886 -1.607 -0.086) 2.479 5.372 ( -4.763 -1.624 -0.063) 5.033 5.414 ( -2.530 0.140 -0.078) 2.535 5.489 ( -7.073 -0.167 0.246) 7.079 5.686 ( -1.852 -0.900 -0.264) 2.076 6.448 ( 2.168 -1.394 -0.759) 2.687 6.464 ( 4.454 -0.382 0.480) 4.496 7.423 ( -1.291 0.217 0.216) 1.327 7.455 ( -1.037 0.024 0.034) 1.038 7.545 ( -0.427 0.230 0.048) 0.487 7.575 ( -0.402 0.332 -0.099) 0.530 8.415 ( 6.881 0.202 0.006) 6.884 8.420 ( 5.911 0.032 -0.031) 5.911 8.892 ( -6.144 1.379 0.130) 6.298 8.932 ( -6.177 0.265 0.048) 6.183 12.223 ( -0.311 -0.108 0.171) 0.371 12.279 ( 0.669 -0.618 -0.140) 0.921 14.073 ( -1.791 0.677 -0.015) 1.915 14.148 ( -1.152 -3.494 -0.738) 3.753 14.308 ( 1.100 2.304 -0.626) 2.629 14.335 ( -3.067 3.838 -0.220) 4.918 14.388 ( 2.101 -5.594 0.925) 6.047 14.770 ( -9.995 -4.686 -1.785) 11.182 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -14.505 11.110 5.108) 18.972 1.118 ( -12.052 9.725 2.259) 15.651 1.452 ( -7.145 3.919 -2.152) 8.429 1.701 ( 0.582 -0.414 -5.179) 5.228 1.796 ( -7.297 4.456 2.562) 8.926 2.031 ( -15.024 1.297 3.785) 15.548 2.313 ( -29.941 7.671 -3.381) 31.092 2.407 ( -12.710 0.840 -4.298) 13.444 2.461 ( -18.227 1.045 2.604) 18.442 2.501 ( 4.322 -0.638 4.600) 6.344 2.687 ( -3.989 0.954 -1.203) 4.274 2.728 ( 7.793 -1.857 0.148) 8.013 2.887 ( -4.449 0.328 1.795) 4.809 3.011 ( -1.764 -2.726 -2.670) 4.203 3.036 ( -1.922 -1.908 0.360) 2.732 3.047 ( 9.919 -6.049 0.175) 11.619 3.274 ( 2.171 2.118 -6.649) 7.308 3.314 ( 8.239 -0.973 -2.584) 8.689 3.390 ( 0.405 0.799 1.206) 1.503 3.437 ( 3.177 0.075 3.238) 4.537 3.548 ( -3.521 -2.008 2.835) 4.947 3.685 ( -0.807 -2.356 2.328) 3.409 3.732 ( 8.233 4.237 -1.007) 9.315 3.770 ( 1.546 3.608 0.324) 3.939 5.188 ( 5.497 -1.142 0.089) 5.615 5.245 ( 5.437 -1.291 -0.407) 5.603 5.475 ( -6.845 -1.110 0.088) 6.935 5.499 ( -5.636 0.252 0.026) 5.642 5.633 ( -7.973 -1.322 -0.716) 8.113 5.728 ( -3.123 -0.581 0.847) 3.288 6.314 ( 10.539 -0.593 -0.679) 10.577 6.329 ( 10.364 -0.702 0.382) 10.395 7.458 ( -2.079 0.248 -0.024) 2.093 7.479 ( -1.301 0.301 0.106) 1.339 7.559 ( -0.720 0.287 0.181) 0.795 7.594 ( -1.282 -0.164 -0.118) 1.298 8.284 ( 6.689 0.311 0.059) 6.696 8.302 ( 6.064 -0.133 -0.125) 6.067 9.029 ( -6.814 0.958 -0.006) 6.881 9.055 ( -6.214 0.244 0.067) 6.220 12.233 ( -0.737 -0.064 0.186) 0.763 12.261 ( 0.733 -0.272 -0.084) 0.786 14.113 ( -1.648 0.705 -0.648) 1.907 14.145 ( -1.611 -3.244 0.351) 3.639 14.282 ( 1.511 -0.993 -2.296) 2.923 14.327 ( 1.134 -2.040 1.921) 3.022 14.433 ( -3.397 3.083 0.442) 4.609 14.838 ( -2.286 -2.246 -1.334) 3.471 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -13.207 6.471 2.041) 14.849 1.356 ( -7.651 3.391 1.199) 8.454 1.576 ( -6.265 -0.771 -1.169) 6.419 1.691 ( -3.054 -1.044 -3.753) 4.950 1.977 ( -6.642 3.597 0.533) 7.572 2.239 ( -6.436 -1.112 2.837) 7.121 2.318 ( 5.921 1.169 0.133) 6.037 2.381 ( 6.992 0.975 4.766) 8.518 2.483 ( 5.739 0.685 -2.828) 6.435 2.580 ( 7.308 0.841 1.876) 7.592 2.773 ( 2.374 -3.324 -0.614) 4.130 2.847 ( 2.268 -5.051 -0.152) 5.539 2.938 ( 2.128 0.939 -1.538) 2.789 3.000 ( -1.355 -0.164 0.759) 1.562 3.094 ( -5.112 2.134 -6.640) 8.647 3.166 ( -5.028 0.466 -1.776) 5.353 3.208 ( -11.343 2.501 1.169) 11.674 3.272 ( -5.228 2.637 -2.002) 6.188 3.417 ( 2.237 0.626 6.044) 6.475 3.448 ( -7.042 -1.994 0.491) 7.336 3.592 ( -1.378 -3.057 0.037) 3.354 3.661 ( -0.203 0.215 -0.062) 0.302 3.831 ( -21.353 2.783 0.099) 21.534 3.901 ( -14.979 2.782 0.341) 15.239 5.067 ( 6.238 -0.807 0.013) 6.290 5.116 ( 6.762 -1.133 -0.335) 6.864 5.593 ( -5.895 -0.430 0.138) 5.912 5.605 ( -5.035 0.073 -0.028) 5.036 5.731 ( -4.472 -1.791 -2.371) 5.370 5.802 ( -3.453 -0.183 2.694) 4.384 6.041 ( 17.884 -0.390 -0.357) 17.892 6.063 ( 17.290 -0.525 -0.149) 17.299 7.498 ( -1.945 0.184 -0.289) 1.975 7.508 ( -1.330 0.335 0.181) 1.383 7.577 ( -0.787 0.373 0.408) 0.962 7.614 ( -1.128 -0.419 -0.250) 1.229 8.181 ( 4.470 0.282 0.049) 4.479 8.202 ( 4.304 -0.158 -0.097) 4.308 9.145 ( -4.976 0.137 -0.722) 5.030 9.165 ( -5.101 0.361 0.664) 5.157 12.249 ( -0.634 0.056 0.047) 0.638 12.250 ( 0.286 0.152 0.080) 0.334 14.125 ( -1.157 -2.532 -1.019) 2.964 14.169 ( -1.837 -0.617 0.227) 1.951 14.238 ( 0.596 -1.976 -1.198) 2.387 14.312 ( 1.019 0.489 2.317) 2.578 14.505 ( -1.695 2.845 -0.499) 3.349 14.835 ( 0.204 -1.426 -0.534) 1.536 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -7.380 -0.129 -0.496) 7.398 1.537 ( -7.638 -0.186 -3.299) 8.322 1.698 ( -7.553 -1.344 1.334) 7.786 1.762 ( -6.349 -1.754 -0.264) 6.592 2.081 ( -2.208 2.008 -2.503) 3.895 2.185 ( 8.284 2.836 3.877) 9.576 2.258 ( 5.308 2.060 2.354) 6.161 2.327 ( 4.527 1.445 -0.327) 4.764 2.379 ( 5.854 0.046 1.928) 6.163 2.481 ( 3.867 0.844 4.493) 5.988 2.640 ( 3.501 -2.441 -2.285) 4.841 2.765 ( 2.568 -2.714 -0.185) 3.741 2.832 ( 3.634 -0.295 -5.783) 6.836 2.996 ( 0.805 -1.309 1.610) 2.226 3.104 ( 0.243 -0.969 -1.009) 1.420 3.228 ( -0.774 0.938 -3.224) 3.446 3.295 ( -2.665 3.160 -0.813) 4.213 3.410 ( -2.343 -0.361 -0.187) 2.378 3.461 ( -2.398 3.703 5.476) 7.032 3.491 ( 0.033 -1.615 -1.260) 2.049 3.603 ( -1.007 -1.070 0.814) 1.679 3.718 ( -3.305 -0.704 0.037) 3.379 4.424 ( -33.958 1.812 -0.041) 34.006 4.431 ( -35.187 1.474 0.180) 35.219 4.959 ( 4.095 -0.492 -0.226) 4.130 4.991 ( 5.102 -0.530 -0.016) 5.130 5.609 ( 24.874 -0.832 -0.042) 24.888 5.626 ( 22.499 -0.860 0.732) 22.528 5.676 ( -2.749 -0.094 -0.222) 2.760 5.686 ( -1.727 -0.163 -0.020) 1.735 5.791 ( -1.127 -0.503 -2.173) 2.499 5.898 ( -1.551 0.164 1.581) 2.221 7.526 ( -0.940 0.208 -0.117) 0.970 7.532 ( -0.943 0.066 -0.131) 0.954 7.595 ( -0.505 0.388 0.438) 0.773 7.626 ( -0.679 -0.399 -0.200) 0.812 8.121 ( 2.130 0.136 -0.088) 2.136 8.141 ( 2.098 -0.088 0.062) 2.101 9.212 ( -2.636 -0.064 -0.665) 2.720 9.247 ( -2.906 0.126 0.591) 2.968 12.245 ( 0.314 0.303 -0.023) 0.437 12.262 ( -0.466 0.087 0.091) 0.483 14.121 ( -1.007 -2.414 -0.470) 2.657 14.184 ( -1.686 -3.140 -2.311) 4.248 14.227 ( 0.397 1.325 1.157) 1.803 14.316 ( 0.513 1.211 2.936) 3.217 14.539 ( -0.281 2.593 -1.807) 3.173 14.815 ( 0.554 -1.262 0.237) 1.398 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.303 -1.276 -4.763) 4.941 1.625 ( -3.443 0.958 1.343) 3.818 1.796 ( -1.176 -0.066 2.939) 3.166 1.847 ( -2.703 -1.626 1.948) 3.707 2.065 ( 5.286 -0.605 -0.247) 5.326 2.126 ( 0.231 1.668 -4.152) 4.480 2.176 ( 2.621 0.914 0.440) 2.811 2.234 ( 2.165 0.096 -0.557) 2.237 2.291 ( 0.938 -0.221 1.377) 1.681 2.473 ( -0.223 -0.083 -1.905) 1.920 2.633 ( -1.890 0.912 3.778) 4.322 2.726 ( -0.126 -0.231 -0.237) 0.354 2.802 ( -2.200 -0.050 0.312) 2.222 2.985 ( 0.051 -0.926 1.845) 2.065 3.098 ( -1.415 -1.646 -0.192) 2.179 3.221 ( 0.372 -0.389 -2.662) 2.715 3.301 ( 3.311 1.095 -1.295) 3.720 3.436 ( 0.150 0.043 -2.074) 2.080 3.467 ( 0.769 -0.388 -1.365) 1.615 3.537 ( -1.000 3.784 3.560) 5.290 3.610 ( 0.209 -0.960 1.476) 1.773 3.737 ( 0.025 -2.015 -0.048) 2.015 4.918 ( 1.542 -0.036 -0.367) 1.585 4.931 ( -0.674 0.627 -0.052) 0.922 4.987 ( 8.858 -0.126 -0.042) 8.859 4.990 ( 0.049 0.021 0.011) 0.054 5.137 ( -7.016 -0.186 -0.372) 7.028 5.190 ( -2.669 0.459 1.221) 2.971 5.701 ( -0.015 -0.114 -0.275) 0.298 5.711 ( -0.026 -0.230 -0.194) 0.302 5.807 ( -0.866 -0.060 -1.171) 1.458 5.920 ( 0.353 0.053 1.173) 1.226 7.533 ( 0.214 0.026 -0.117) 0.245 7.541 ( -0.039 0.008 0.004) 0.040 7.600 ( 0.302 0.021 -0.288) 0.418 7.634 ( -0.276 -0.010 0.369) 0.461 8.101 ( 0.053 -0.008 -0.230) 0.236 8.122 ( -0.023 -0.005 0.207) 0.208 9.237 ( -0.205 0.029 -0.382) 0.435 9.275 ( 0.207 -0.046 0.365) 0.422 12.240 ( 0.237 -0.014 -0.358) 0.429 12.268 ( 0.065 0.186 0.346) 0.398 14.124 ( -0.974 -1.411 -0.009) 1.715 14.175 ( -1.486 -3.261 -2.232) 4.222 14.237 ( 0.611 1.889 0.935) 2.195 14.336 ( 0.216 1.615 3.582) 3.935 14.545 ( 0.350 2.349 -3.192) 3.978 14.803 ( -0.124 -1.292 0.936) 1.600 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 7.573 -0.026 -0.489) 7.588 1.506 ( 15.216 -1.235 -0.193) 15.268 1.758 ( 6.827 1.853 1.169) 7.170 1.818 ( 6.739 0.864 3.839) 7.804 2.020 ( 4.201 -1.460 -2.580) 5.142 2.116 ( -9.410 -0.987 -1.676) 9.608 2.224 ( -6.077 -0.213 -4.492) 7.560 2.281 ( -7.532 -1.061 1.192) 7.700 2.378 ( -5.665 0.207 -1.611) 5.893 2.451 ( -0.329 -1.047 -4.772) 4.897 2.731 ( -5.338 2.942 5.050) 7.915 2.794 ( -5.833 -0.830 5.578) 8.114 2.890 ( -4.576 2.932 2.176) 5.854 2.995 ( -1.397 -2.039 3.012) 3.897 3.128 ( -2.859 -1.824 0.090) 3.393 3.152 ( 7.304 1.026 -6.217) 9.647 3.211 ( 3.431 -2.180 -0.076) 4.066 3.398 ( 2.686 -0.239 -2.347) 3.575 3.410 ( 3.614 -0.332 -3.168) 4.817 3.578 ( 2.008 0.403 4.075) 4.561 3.615 ( -1.496 1.775 0.692) 2.422 3.700 ( 2.168 -1.299 -0.465) 2.570 4.358 ( 36.848 -1.556 -0.553) 36.885 4.408 ( 35.137 -0.100 0.573) 35.141 4.983 ( -4.596 0.673 -0.234) 4.651 5.013 ( -5.861 0.552 0.460) 5.905 5.633 ( -24.965 0.527 0.041) 24.970 5.651 ( -21.075 0.505 0.422) 21.085 5.673 ( 2.323 -0.235 -0.236) 2.347 5.685 ( -1.078 -0.084 -0.348) 1.135 5.806 ( 0.517 0.372 -0.556) 0.845 5.892 ( 2.897 -0.130 0.509) 2.945 7.520 ( 1.042 -0.132 -0.108) 1.056 7.530 ( 1.272 -0.013 0.143) 1.280 7.586 ( 0.672 -0.160 -0.684) 0.972 7.636 ( 0.463 0.176 0.568) 0.754 8.117 ( -2.011 -0.084 -0.294) 2.034 8.144 ( -2.159 0.054 0.293) 2.179 9.216 ( 2.381 0.151 -0.017) 2.386 9.240 ( 3.486 -0.222 0.062) 3.494 12.236 ( -0.208 -0.169 -0.373) 0.460 12.265 ( 0.605 0.145 0.322) 0.700 14.124 ( 0.125 -1.090 -0.480) 1.198 14.180 ( -2.152 -1.934 -0.961) 3.049 14.240 ( 0.927 1.645 0.610) 1.984 14.362 ( 0.204 1.427 4.099) 4.345 14.536 ( 0.767 2.246 -4.476) 5.066 14.809 ( -0.962 -1.274 1.611) 2.268 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 19.111 -2.238 -4.698) 19.807 1.304 ( 13.444 -0.370 -0.752) 13.470 1.607 ( 11.122 0.628 3.276) 11.611 1.698 ( 5.467 -0.142 4.795) 7.273 1.888 ( 7.175 -1.270 -4.706) 8.674 2.262 ( 2.664 0.160 1.127) 2.897 2.316 ( -2.089 0.536 -2.874) 3.593 2.367 ( -7.687 -0.262 -3.862) 8.606 2.488 ( -9.212 0.781 1.041) 9.304 2.532 ( -9.695 -1.426 0.583) 9.816 2.830 ( 13.581 -0.232 -2.769) 13.862 2.885 ( 1.528 -0.245 4.544) 4.800 2.932 ( 2.703 -0.805 4.843) 5.605 3.020 ( -1.971 1.617 -2.391) 3.495 3.080 ( -0.416 1.919 -0.740) 2.099 3.103 ( -1.195 -1.384 -0.792) 1.993 3.165 ( -3.412 -1.753 4.942) 6.256 3.277 ( 9.193 0.391 -1.313) 9.294 3.367 ( -0.371 -0.299 -4.648) 4.673 3.484 ( 12.926 -0.399 1.932) 13.076 3.590 ( 5.911 -0.418 -0.672) 5.964 3.666 ( -1.538 -0.361 0.743) 1.746 3.806 ( 11.706 -0.451 -0.534) 11.727 3.849 ( 19.885 0.432 -0.440) 19.894 5.094 ( -6.468 0.436 -0.264) 6.488 5.145 ( -6.980 0.421 0.662) 7.024 5.593 ( 5.161 -0.264 -0.417) 5.185 5.602 ( 5.156 0.062 -0.235) 5.161 5.776 ( 2.384 0.685 0.161) 2.486 5.802 ( 5.790 -0.107 -0.077) 5.792 6.053 ( -18.316 0.215 -0.076) 18.318 6.074 ( -18.019 0.102 0.222) 18.020 7.494 ( 1.609 -0.022 0.010) 1.609 7.497 ( 1.969 -0.191 -0.116) 1.982 7.569 ( 0.712 -0.090 -0.533) 0.894 7.623 ( 1.251 0.114 0.409) 1.321 8.175 ( -4.384 -0.080 -0.249) 4.392 8.207 ( -4.342 0.069 0.318) 4.354 9.143 ( 6.154 0.045 0.085) 6.155 9.154 ( 4.730 -0.223 0.015) 4.735 12.245 ( -0.910 -0.053 -0.083) 0.915 12.252 ( 0.898 0.062 0.036) 0.901 14.101 ( 0.954 -0.791 -0.910) 1.537 14.211 ( -2.243 -0.735 0.069) 2.362 14.234 ( 1.121 1.085 0.521) 1.645 14.381 ( 0.886 0.301 4.305) 4.405 14.513 ( 1.067 2.226 -5.076) 5.645 14.831 ( -1.312 -0.798 2.407) 2.856 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 18.618 0.000 -8.549) 20.487 0.965 ( 21.204 0.000 -2.183) 21.316 1.400 ( 12.082 0.000 3.378) 12.545 1.653 ( 9.824 0.000 1.162) 9.893 1.751 ( -2.436 -0.000 0.244) 2.448 1.977 ( 28.730 0.000 -4.021) 29.010 2.183 ( 30.280 0.000 3.189) 30.447 2.388 ( 24.971 0.000 4.060) 25.299 2.469 ( 12.434 0.000 -4.552) 13.241 2.476 ( -4.127 0.000 -1.718) 4.470 2.663 ( -6.146 -0.000 -1.172) 6.257 2.753 ( -10.891 -0.000 0.044) 10.891 2.867 ( 2.774 0.000 -3.063) 4.133 3.071 ( 6.145 0.000 1.467) 6.318 3.072 ( -1.334 -0.000 5.726) 5.880 3.194 ( -10.701 -0.000 -1.223) 10.770 3.223 ( -4.865 -0.000 8.507) 9.799 3.340 ( -7.868 -0.000 0.314) 7.874 3.378 ( -2.189 0.000 -1.508) 2.659 3.423 ( -5.823 0.000 -5.457) 7.980 3.550 ( -0.986 -0.000 1.598) 1.878 3.639 ( 3.407 0.000 -2.361) 4.145 3.695 ( -0.529 0.000 -0.469) 0.707 3.738 ( 1.252 0.000 -2.319) 2.635 5.213 ( -5.855 -0.000 -0.135) 5.856 5.270 ( -5.576 -0.000 0.571) 5.605 5.481 ( 6.043 0.000 -0.505) 6.064 5.494 ( 5.964 0.000 -0.205) 5.968 5.662 ( 8.432 0.000 -0.289) 8.437 5.736 ( 2.446 0.000 0.186) 2.453 6.326 ( -10.788 -0.000 0.059) 10.788 6.345 ( -10.870 -0.000 0.459) 10.880 7.454 ( 2.083 0.000 -0.307) 2.106 7.468 ( 1.235 0.000 -0.013) 1.235 7.554 ( 0.670 0.000 -0.312) 0.739 7.596 ( 1.740 0.000 0.171) 1.748 8.278 ( -6.706 -0.000 -0.114) 6.707 8.306 ( -5.978 -0.000 0.246) 5.983 9.011 ( 7.495 0.000 -0.136) 7.496 9.050 ( 6.297 0.000 0.267) 6.303 12.235 ( 0.736 0.000 -0.189) 0.760 12.266 ( -1.232 -0.000 0.164) 1.243 14.074 ( 1.141 0.000 -0.652) 1.315 14.220 ( 1.084 0.000 0.346) 1.138 14.248 ( -1.741 -0.000 0.607) 1.844 14.353 ( 3.721 -0.000 1.885) 4.171 14.498 ( -0.448 0.000 -2.426) 2.467 14.864 ( -0.947 -0.000 3.678) 3.798 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 20.463 0.000 0.000) 20.463 0.956 ( 21.637 0.000 0.000) 21.637 1.416 ( 11.862 0.000 0.000) 11.862 1.656 ( 12.527 0.000 0.000) 12.527 1.754 ( -5.651 -0.000 -0.000) 5.651 1.958 ( 29.059 0.000 0.000) 29.059 2.198 ( 32.294 0.000 0.000) 32.294 2.419 ( 40.229 0.000 0.000) 40.229 2.436 ( -2.847 -0.000 -0.000) 2.847 2.468 ( -6.131 -0.000 -0.000) 6.131 2.658 ( -6.216 -0.000 -0.000) 6.216 2.754 ( -10.981 -0.000 -0.000) 10.981 2.853 ( 2.967 0.000 0.000) 2.967 3.077 ( 6.443 0.000 0.000) 6.443 3.100 ( -1.144 -0.000 -0.000) 1.144 3.188 ( -10.684 -0.000 -0.000) 10.684 3.269 ( -5.535 -0.000 -0.000) 5.535 3.342 ( -9.021 -0.000 -0.000) 9.021 3.370 ( -3.214 -0.000 -0.000) 3.214 3.389 ( -4.298 -0.000 -0.000) 4.298 3.558 ( -1.353 -0.000 -0.000) 1.353 3.627 ( 5.318 0.000 0.000) 5.318 3.694 ( -0.877 -0.000 -0.000) 0.877 3.726 ( 1.758 0.000 0.000) 1.758 5.213 ( -5.867 -0.000 -0.000) 5.867 5.272 ( -5.591 -0.000 -0.000) 5.591 5.478 ( 6.108 0.000 0.000) 6.108 5.493 ( 5.986 0.000 0.000) 5.986 5.660 ( 8.528 0.000 0.000) 8.528 5.737 ( 2.360 0.000 0.000) 2.360 6.326 ( -10.826 -0.000 -0.000) 10.826 6.347 ( -11.026 -0.000 -0.000) 11.026 7.453 ( 2.177 0.000 0.000) 2.177 7.468 ( 1.232 0.000 0.000) 1.232 7.553 ( 0.659 0.000 0.000) 0.659 7.597 ( 1.767 0.000 0.000) 1.767 8.278 ( -6.726 -0.000 -0.000) 6.726 8.307 ( -5.977 -0.000 -0.000) 5.977 9.010 ( 7.513 0.000 0.000) 7.513 9.051 ( 6.268 0.000 0.000) 6.268 12.234 ( 0.785 0.000 0.000) 0.785 12.267 ( -1.284 -0.000 -0.000) 1.284 14.071 ( 1.106 0.000 0.000) 1.106 14.221 ( 0.904 0.000 0.000) 0.904 14.251 ( -1.734 -0.000 -0.000) 1.734 14.362 ( 4.429 0.000 0.000) 4.429 14.487 ( -1.199 -0.000 -0.000) 1.199 14.881 ( -1.807 -0.000 -0.000) 1.807 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 10.557 19.065) 21.793 0.414 ( 0.000 22.603 5.937) 23.370 0.600 ( 0.000 31.542 9.308) 32.887 1.039 ( 0.000 10.745 0.194) 10.746 1.201 ( -0.000 10.299 -4.348) 11.179 1.612 ( 0.000 1.353 1.115) 1.753 1.776 ( 0.000 1.657 1.063) 1.969 1.931 ( -0.000 -4.465 -3.838) 5.888 2.531 ( -0.000 0.521 -3.900) 3.935 2.560 ( -0.000 4.287 -7.087) 8.283 2.747 ( 0.000 0.924 3.423) 3.546 2.822 ( 0.000 -8.369 8.489) 11.921 2.878 ( 0.000 -3.320 0.514) 3.360 2.956 ( -0.000 -0.609 -1.316) 1.450 3.092 ( -0.000 -3.357 -2.379) 4.114 3.302 ( -0.000 -1.753 -1.469) 2.287 3.419 ( -0.000 -2.854 -3.052) 4.178 3.457 ( -0.000 1.638 -4.263) 4.567 3.461 ( -0.000 -0.132 -0.860) 0.870 3.573 ( 0.000 -2.974 6.542) 7.186 3.604 ( 0.000 -3.653 6.974) 7.873 3.627 ( 0.000 0.169 0.982) 0.996 3.782 ( 0.000 5.114 2.936) 5.897 4.189 ( -0.000 2.667 -10.279) 10.619 5.329 ( 0.000 -1.044 0.055) 1.046 5.336 ( 0.000 -1.962 0.217) 1.974 5.356 ( 0.000 -2.045 0.336) 2.073 5.387 ( -0.000 -2.775 -0.211) 2.783 5.429 ( -0.000 2.864 -0.425) 2.895 5.668 ( -0.000 -0.588 -1.684) 1.784 6.427 ( 0.000 1.079 0.627) 1.248 6.507 ( -0.000 -0.100 -0.035) 0.106 7.416 ( 0.000 -0.736 1.562) 1.727 7.443 ( 0.000 -0.176 0.026) 0.178 7.540 ( 0.000 0.168 0.071) 0.183 7.575 ( -0.000 0.391 -1.119) 1.185 8.488 ( 0.000 0.122 0.029) 0.126 8.493 ( -0.000 0.088 -0.028) 0.092 8.814 ( 0.000 1.272 0.318) 1.311 8.860 ( 0.000 0.299 0.280) 0.410 12.223 ( 0.000 -0.113 0.394) 0.410 12.290 ( -0.000 -0.520 -0.386) 0.648 14.043 ( 0.000 0.096 0.013) 0.097 14.134 ( -0.000 0.118 -5.464) 5.465 14.271 ( -0.000 3.773 -0.090) 3.774 14.301 ( -0.000 1.951 -0.228) 1.964 14.504 ( -0.000 -0.029 -0.254) 0.255 14.513 ( -0.000 -0.941 -0.089) 0.946 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -12.537 10.670 13.067) 21.019 0.782 ( -13.739 16.364 6.908) 22.456 1.243 ( -8.116 7.923 -3.911) 11.998 1.357 ( -40.003 16.185 3.110) 43.265 1.501 ( -19.305 11.756 0.051) 22.602 1.762 ( -10.279 -0.180 -3.306) 10.799 1.843 ( -6.886 -1.423 -0.411) 7.043 1.896 ( -9.165 2.216 1.245) 9.511 2.473 ( 2.650 -0.166 -4.157) 4.933 2.568 ( 0.755 2.057 -0.722) 2.307 2.725 ( 3.312 -3.483 1.317) 4.983 2.802 ( -0.914 0.027 1.880) 2.091 2.896 ( -0.188 -3.958 1.113) 4.116 2.968 ( -2.242 -0.953 -1.072) 2.661 3.030 ( 0.206 -3.905 -3.153) 5.024 3.239 ( 5.166 -4.337 -7.258) 9.908 3.329 ( 4.477 -3.096 1.042) 5.542 3.394 ( 3.649 2.816 -0.957) 4.707 3.433 ( 3.649 -0.104 0.285) 3.662 3.533 ( 4.093 -2.153 4.981) 6.797 3.574 ( 1.941 -0.864 1.717) 2.732 3.669 ( -2.276 -1.131 3.248) 4.124 3.803 ( 2.790 2.860 2.524) 4.726 3.922 ( 15.850 7.317 -2.204) 17.597 5.282 ( 3.258 -1.518 0.100) 3.596 5.328 ( 2.263 -1.424 -0.395) 2.703 5.372 ( -4.787 -1.637 0.034) 5.059 5.413 ( -3.157 -0.488 -0.177) 3.199 5.494 ( -6.677 -0.130 0.811) 6.728 5.681 ( -2.358 -0.757 -0.925) 2.644 6.439 ( 2.634 -0.874 -0.954) 2.935 6.469 ( 4.131 -0.341 0.351) 4.160 7.426 ( -1.070 0.005 0.478) 1.172 7.456 ( -1.054 0.012 0.092) 1.058 7.546 ( -0.473 0.183 0.131) 0.524 7.574 ( -0.553 0.321 -0.251) 0.686 8.415 ( 6.829 0.182 0.007) 6.832 8.420 ( 6.006 0.085 -0.066) 6.007 8.895 ( -6.080 1.389 0.399) 6.249 8.933 ( -6.023 0.393 0.005) 6.036 12.226 ( -0.268 -0.131 0.486) 0.571 12.277 ( 0.606 -0.576 -0.409) 0.931 14.073 ( -1.808 0.492 -0.030) 1.874 14.136 ( -2.097 -3.216 -1.898) 4.283 14.300 ( 1.554 2.056 -0.894) 2.728 14.331 ( -2.370 3.631 -0.567) 4.373 14.401 ( 1.240 -4.709 1.788) 5.188 14.742 ( -10.063 -2.689 -3.976) 11.150 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -12.852 8.980 8.243) 17.713 1.149 ( -10.706 9.880 4.721) 15.314 1.424 ( -7.685 4.459 -4.143) 9.803 1.648 ( 0.161 0.289 -6.497) 6.505 1.820 ( -7.451 3.499 2.985) 8.756 2.071 ( -13.970 1.258 4.486) 14.726 2.276 ( -24.749 7.309 -4.352) 26.170 2.372 ( -13.703 1.044 -3.423) 14.163 2.489 ( -23.124 1.413 3.301) 23.401 2.541 ( 3.833 -0.885 4.394) 5.897 2.675 ( -5.160 0.021 -1.213) 5.301 2.730 ( 6.758 -1.373 0.271) 6.901 2.900 ( -1.271 -1.203 0.538) 1.831 2.983 ( -2.162 -1.315 -3.420) 4.255 3.042 ( -3.509 -0.320 1.031) 3.672 3.047 ( 8.699 -5.089 0.016) 10.078 3.212 ( 3.832 1.745 -6.589) 7.819 3.290 ( 9.091 -2.020 -2.826) 9.733 3.395 ( -0.750 0.082 0.172) 0.774 3.468 ( 1.988 0.359 3.258) 3.833 3.576 ( -2.187 -1.697 2.978) 4.066 3.700 ( 5.376 0.629 -0.242) 5.418 3.734 ( 1.850 0.128 2.639) 3.225 3.773 ( 2.820 4.209 0.194) 5.070 5.189 ( 5.499 -1.179 0.186) 5.627 5.240 ( 5.449 -1.123 -0.716) 5.609 5.476 ( -6.902 -1.125 0.254) 6.998 5.500 ( -5.734 -0.086 0.005) 5.735 5.625 ( -7.170 -1.832 -1.042) 7.473 5.737 ( -3.950 -0.001 1.186) 4.125 6.307 ( 10.260 -0.688 -0.762) 10.311 6.332 ( 10.637 -0.542 0.289) 10.654 7.458 ( -1.962 0.150 -0.030) 1.968 7.480 ( -1.328 0.304 0.152) 1.371 7.561 ( -0.832 0.194 0.321) 0.912 7.592 ( -1.223 -0.117 -0.217) 1.248 8.285 ( 6.657 0.264 0.110) 6.664 8.301 ( 6.096 -0.059 -0.213) 6.100 9.029 ( -6.551 0.850 0.027) 6.606 9.055 ( -6.346 0.405 0.067) 6.360 12.235 ( -0.629 -0.092 0.329) 0.716 12.260 ( 0.625 -0.210 -0.165) 0.680 14.107 ( -1.565 -0.384 -0.559) 1.705 14.146 ( -2.181 -2.857 -0.350) 3.611 14.266 ( 1.741 -0.638 -1.018) 2.116 14.338 ( 1.082 0.041 0.495) 1.191 14.440 ( -3.378 1.243 1.106) 3.766 14.822 ( -2.754 -1.404 -2.126) 3.751 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -11.018 4.515 2.153) 12.100 1.370 ( -6.474 3.654 1.956) 7.687 1.563 ( -7.326 0.113 -1.699) 7.521 1.655 ( -4.094 0.036 -4.059) 5.765 1.986 ( -5.875 2.040 1.450) 6.386 2.257 ( -4.299 0.394 1.058) 4.445 2.328 ( 2.940 0.123 2.026) 3.573 2.428 ( 7.126 0.514 4.913) 8.670 2.460 ( 3.018 1.157 -1.702) 3.653 2.590 ( 6.771 1.463 0.526) 6.947 2.783 ( 7.397 -3.083 2.817) 8.495 2.829 ( 1.356 -4.026 -3.984) 5.825 2.921 ( 3.402 1.590 -2.362) 4.436 3.011 ( -3.215 -0.577 1.632) 3.651 3.042 ( -2.343 0.558 -4.678) 5.262 3.156 ( -9.722 -0.871 -0.875) 9.800 3.190 ( -2.540 2.536 -4.487) 5.746 3.275 ( -14.586 3.670 2.266) 15.210 3.427 ( -3.678 -4.862 -1.474) 6.272 3.489 ( -0.050 2.715 6.241) 6.806 3.593 ( -2.084 -2.338 0.329) 3.149 3.660 ( 1.094 0.702 -0.148) 1.308 3.829 ( -21.444 2.885 -0.489) 21.642 3.906 ( -14.640 2.343 0.774) 14.847 5.068 ( 6.283 -0.995 0.022) 6.361 5.112 ( 6.676 -0.872 -0.426) 6.746 5.594 ( -5.816 -0.480 0.260) 5.841 5.604 ( -5.133 -0.107 -0.029) 5.134 5.711 ( -4.712 -2.154 -2.015) 5.559 5.825 ( -3.382 0.356 2.387) 4.154 6.037 ( 17.752 -0.533 -0.532) 17.768 6.062 ( 17.575 -0.535 -0.161) 17.584 7.496 ( -1.919 0.129 -0.250) 1.939 7.509 ( -1.290 0.320 0.117) 1.334 7.582 ( -0.893 0.285 0.596) 1.110 7.611 ( -1.064 -0.328 -0.402) 1.184 8.182 ( 4.481 0.173 0.066) 4.485 8.201 ( 4.273 -0.042 -0.125) 4.275 9.139 ( -4.853 0.056 -0.586) 4.889 9.170 ( -5.193 0.439 0.514) 5.237 12.249 ( -0.582 0.094 0.068) 0.594 12.250 ( 0.272 0.134 0.088) 0.315 14.118 ( -1.236 -2.423 -0.595) 2.784 14.164 ( -1.921 -2.509 -1.387) 3.451 14.236 ( 0.785 -0.004 0.706) 1.056 14.330 ( 0.930 1.537 1.636) 2.430 14.500 ( -1.714 1.210 -0.564) 2.172 14.830 ( -0.063 -0.838 -0.667) 1.072 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -7.434 -0.804 -0.896) 7.530 1.507 ( -6.020 -1.178 -3.052) 6.852 1.711 ( -8.805 -0.428 1.443) 8.933 1.762 ( -7.048 -0.634 0.203) 7.079 2.062 ( -1.233 0.796 -1.717) 2.259 2.226 ( 7.793 2.685 5.197) 9.744 2.278 ( 5.278 1.441 1.940) 5.805 2.322 ( 6.462 2.207 -0.708) 6.865 2.399 ( 6.619 0.657 1.798) 6.890 2.489 ( 3.694 -0.418 -2.132) 4.286 2.659 ( 3.117 -0.686 6.023) 6.817 2.757 ( 3.738 -1.576 -1.247) 4.244 2.778 ( 0.742 -1.077 -5.937) 6.079 2.994 ( 1.070 -0.033 -1.815) 2.107 3.105 ( -1.034 -2.728 0.961) 3.072 3.197 ( -1.265 1.826 -3.570) 4.205 3.297 ( -3.089 1.179 1.351) 3.572 3.400 ( -2.807 -1.897 -2.032) 3.950 3.470 ( -0.812 0.625 -1.281) 1.640 3.518 ( 0.867 2.918 5.205) 6.030 3.611 ( -0.840 -0.191 0.962) 1.291 3.716 ( -3.563 -0.774 -0.426) 3.671 4.423 ( -33.946 1.695 0.026) 33.988 4.432 ( -35.190 1.610 0.111) 35.227 4.957 ( 4.059 -0.722 -0.233) 4.130 4.991 ( 5.079 -0.280 -0.010) 5.087 5.609 ( 25.246 -0.810 0.015) 25.259 5.633 ( 23.186 -0.577 0.717) 23.204 5.674 ( -2.818 -0.214 -0.034) 2.826 5.685 ( -1.939 -0.246 -0.128) 1.959 5.772 ( -2.003 -1.102 -1.931) 2.992 5.910 ( -1.512 0.570 1.216) 2.023 7.525 ( -1.116 0.129 -0.097) 1.127 7.530 ( -0.794 0.082 -0.139) 0.810 7.600 ( -0.318 0.252 0.495) 0.640 7.624 ( -0.835 -0.229 -0.269) 0.906 8.121 ( 2.149 0.007 -0.084) 2.150 8.142 ( 2.071 0.033 0.057) 2.072 9.207 ( -2.759 -0.188 -0.524) 2.815 9.252 ( -2.808 0.237 0.450) 2.854 12.245 ( 0.387 0.141 -0.021) 0.412 12.263 ( -0.496 0.248 0.090) 0.562 14.118 ( -1.196 -2.436 -0.161) 2.719 14.163 ( -1.515 -3.214 -2.140) 4.148 14.239 ( 0.406 1.347 1.227) 1.867 14.342 ( 0.590 2.477 2.696) 3.708 14.521 ( -0.391 0.889 -2.098) 2.312 14.817 ( 0.442 -0.712 0.218) 0.866 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -1.855 -1.860 -3.544) 4.411 1.636 ( -5.155 0.099 1.046) 5.261 1.817 ( 0.682 0.719 1.355) 1.678 1.872 ( -3.658 -0.243 3.795) 5.276 2.065 ( 6.084 -0.585 -0.654) 6.147 2.088 ( 0.662 -0.520 -3.477) 3.577 2.178 ( 5.237 1.086 -0.005) 5.349 2.236 ( 1.371 -0.191 0.723) 1.562 2.298 ( 2.179 0.678 0.146) 2.286 2.439 ( 0.586 -0.484 -4.449) 4.514 2.676 ( -1.143 2.072 4.585) 5.159 2.739 ( -2.245 -0.051 2.702) 3.513 2.804 ( -4.178 -0.369 0.681) 4.249 2.983 ( -0.677 0.381 -2.124) 2.261 3.098 ( -1.217 -2.159 -0.172) 2.485 3.200 ( 0.627 -0.934 -1.510) 1.883 3.299 ( 2.936 -0.862 0.709) 3.141 3.408 ( 1.352 0.774 -3.570) 3.895 3.461 ( 0.679 0.087 -0.260) 0.732 3.563 ( -0.788 3.316 2.152) 4.030 3.626 ( 0.271 -0.181 1.984) 2.010 3.734 ( 0.053 -2.009 -0.514) 2.074 4.915 ( 1.570 -0.223 -0.286) 1.611 4.930 ( -0.517 0.613 -0.047) 0.803 4.987 ( 9.603 -0.132 -0.021) 9.604 4.990 ( -0.752 0.026 0.003) 0.752 5.135 ( -7.729 -0.230 -0.210) 7.735 5.199 ( -2.103 0.894 0.885) 2.450 5.699 ( -0.008 -0.261 -0.065) 0.270 5.709 ( -0.008 -0.321 -0.327) 0.459 5.798 ( -1.344 -0.493 -0.807) 1.643 5.929 ( 0.724 0.503 0.818) 1.202 7.533 ( 0.237 -0.029 -0.067) 0.248 7.541 ( -0.186 0.011 -0.032) 0.189 7.598 ( 0.574 -0.091 -0.183) 0.609 7.637 ( -0.419 0.141 0.256) 0.511 8.099 ( 0.064 -0.100 -0.162) 0.201 8.124 ( -0.041 0.076 0.143) 0.166 9.234 ( -0.391 -0.131 -0.270) 0.493 9.278 ( 0.360 0.106 0.256) 0.454 12.237 ( 0.291 -0.141 -0.244) 0.405 12.271 ( 0.038 0.307 0.235) 0.389 14.126 ( -1.102 -1.647 0.395) 2.021 14.157 ( -1.455 -2.725 -1.914) 3.634 14.245 ( 0.585 1.454 0.750) 1.738 14.367 ( 0.453 2.941 3.392) 4.512 14.516 ( 0.202 0.660 -3.286) 3.357 14.810 ( -0.210 -0.785 0.679) 1.059 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 6.486 -0.052 -0.347) 6.496 1.504 ( 17.001 -1.634 -0.283) 17.082 1.768 ( 6.019 2.286 0.878) 6.498 1.854 ( 7.491 1.444 3.776) 8.512 1.997 ( 4.710 -2.644 -2.395) 5.909 2.104 ( -10.331 -0.480 -0.931) 10.384 2.189 ( -5.912 -0.500 -3.143) 6.714 2.294 ( -7.690 -1.237 1.638) 7.959 2.364 ( -3.450 0.549 -1.606) 3.845 2.409 ( -2.705 -1.108 -3.757) 4.760 2.784 ( -5.531 3.142 6.185) 8.872 2.842 ( -6.556 0.928 3.703) 7.586 2.901 ( -4.638 0.968 1.547) 4.985 2.998 ( -1.432 0.036 -2.743) 3.094 3.102 ( 4.755 -0.110 -3.366) 5.827 3.140 ( -1.411 -3.910 1.326) 4.363 3.215 ( 4.421 -2.269 0.761) 5.027 3.360 ( 1.886 0.850 -4.047) 4.545 3.401 ( 5.692 -0.334 -0.363) 5.713 3.610 ( 1.498 0.782 2.908) 3.364 3.621 ( -1.086 1.699 0.539) 2.087 3.692 ( 2.451 -1.350 -1.042) 2.986 4.355 ( 36.953 -1.674 -0.267) 36.992 4.412 ( 34.971 0.045 0.283) 34.972 4.981 ( -4.525 0.639 -0.117) 4.571 5.016 ( -6.005 0.574 0.257) 6.038 5.634 ( -25.353 0.523 0.035) 25.359 5.654 ( -17.989 0.839 0.157) 18.009 5.673 ( 0.129 -0.407 0.257) 0.498 5.681 ( -1.669 -0.184 -0.510) 1.755 5.802 ( 0.278 -0.120 -0.341) 0.456 5.896 ( 3.332 0.251 0.298) 3.355 7.519 ( 1.009 -0.168 -0.053) 1.024 7.531 ( 1.293 -0.014 0.076) 1.296 7.582 ( 0.729 -0.183 -0.368) 0.837 7.640 ( 0.452 0.221 0.295) 0.583 8.115 ( -2.006 -0.132 -0.157) 2.016 8.146 ( -2.185 0.097 0.157) 2.193 9.216 ( 2.153 -0.022 -0.010) 2.154 9.241 ( 3.689 -0.052 0.038) 3.689 12.234 ( -0.267 -0.208 -0.199) 0.393 12.267 ( 0.673 0.190 0.168) 0.719 14.121 ( 0.337 -1.537 -0.247) 1.593 14.173 ( -2.428 -1.263 -0.595) 2.800 14.245 ( 0.839 1.295 0.457) 1.609 14.399 ( 0.359 2.615 4.060) 4.842 14.496 ( 0.728 0.789 -4.312) 4.444 14.820 ( -1.152 -0.852 0.887) 1.685 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 20.809 -2.396 -1.708) 21.016 1.299 ( 14.142 -0.329 -0.261) 14.148 1.628 ( 10.676 0.923 1.304) 10.795 1.732 ( 4.594 -0.059 2.380) 5.174 1.855 ( 7.633 -1.814 -2.303) 8.177 2.259 ( 9.160 0.642 -0.868) 9.223 2.306 ( -9.839 -0.086 -0.069) 9.839 2.343 ( -8.442 0.140 -1.516) 8.578 2.498 ( -10.403 0.071 0.903) 10.442 2.535 ( -9.942 -0.742 0.106) 9.970 2.812 ( 19.160 -0.683 -1.160) 19.207 2.916 ( 4.271 0.126 2.102) 4.762 2.961 ( 6.943 -1.013 1.435) 7.161 3.005 ( -5.839 1.476 -0.883) 6.087 3.074 ( -6.824 1.709 -0.582) 7.059 3.103 ( -2.075 -1.349 0.355) 2.500 3.204 ( -3.940 -1.754 3.321) 5.443 3.258 ( 8.557 -0.203 -2.286) 8.860 3.335 ( -0.428 0.559 -2.090) 2.205 3.500 ( 18.282 0.318 1.166) 18.322 3.584 ( 2.771 -1.143 -0.469) 3.035 3.670 ( -1.780 0.200 0.199) 1.802 3.802 ( 11.073 -1.549 -0.241) 11.184 3.847 ( 21.727 1.173 -0.134) 21.759 5.092 ( -6.475 0.423 -0.085) 6.489 5.149 ( -7.052 0.433 0.238) 7.070 5.590 ( 5.206 -0.322 -0.155) 5.219 5.600 ( 5.165 0.075 -0.091) 5.166 5.777 ( 1.897 0.173 0.046) 1.905 5.802 ( 6.421 0.441 -0.019) 6.436 6.053 ( -18.391 0.159 -0.025) 18.392 6.075 ( -18.073 0.124 0.080) 18.073 7.494 ( 1.446 -0.147 0.025) 1.453 7.496 ( 2.201 -0.089 -0.068) 2.204 7.566 ( 0.685 -0.096 -0.183) 0.715 7.626 ( 1.290 0.126 0.138) 1.303 8.173 ( -4.399 -0.094 -0.085) 4.400 8.208 ( -4.360 0.085 0.111) 4.363 9.144 ( 6.342 -0.116 0.035) 6.344 9.154 ( 4.519 -0.054 0.004) 4.519 12.244 ( -1.009 -0.055 -0.029) 1.010 12.252 ( 0.998 0.073 0.011) 1.001 14.096 ( 0.996 -0.910 -0.311) 1.384 14.210 ( -2.166 -0.304 -0.085) 2.189 14.239 ( 0.838 0.688 0.308) 1.127 14.419 ( 1.579 -0.004 4.151) 4.441 14.469 ( 0.418 2.416 -4.416) 5.051 14.846 ( -1.743 -0.528 0.858) 2.014 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 19.333 9.547) 21.562 0.493 ( 0.000 12.691 15.602) 20.112 0.726 ( 0.000 18.567 17.851) 25.757 1.042 ( 0.000 12.904 1.094) 12.951 1.147 ( -0.000 10.321 -7.644) 12.844 1.627 ( 0.000 1.558 2.443) 2.897 1.785 ( 0.000 1.719 0.644) 1.836 1.879 ( -0.000 -2.992 -7.995) 8.537 2.492 ( -0.000 -0.013 -4.292) 4.292 2.511 ( -0.000 3.433 -3.980) 5.256 2.781 ( 0.000 0.976 3.832) 3.954 2.882 ( 0.000 -11.062 4.742) 12.036 2.885 ( 0.000 -3.401 1.057) 3.561 2.940 ( -0.000 -0.151 -2.177) 2.183 3.073 ( -0.000 -4.219 -1.586) 4.507 3.271 ( -0.000 -3.998 -5.706) 6.967 3.379 ( -0.000 1.523 -2.947) 3.317 3.452 ( -0.000 1.233 -1.192) 1.715 3.459 ( 0.000 0.361 2.287) 2.315 3.605 ( 0.000 -0.987 0.466) 1.091 3.649 ( 0.000 -3.184 3.410) 4.665 3.656 ( 0.000 -0.813 4.708) 4.777 3.820 ( 0.000 3.538 5.518) 6.555 4.096 ( -0.000 4.221 -9.335) 10.245 5.329 ( 0.000 -1.127 0.146) 1.136 5.339 ( 0.000 -2.483 0.495) 2.532 5.359 ( 0.000 -1.772 0.162) 1.780 5.384 ( -0.000 -2.761 -0.407) 2.791 5.432 ( 0.000 2.899 1.288) 3.172 5.646 ( -0.000 -0.302 -3.153) 3.167 6.435 ( 0.000 0.997 1.137) 1.512 6.504 ( -0.000 0.160 -0.517) 0.541 7.429 ( 0.000 -1.283 1.212) 1.765 7.444 ( 0.000 -0.217 0.040) 0.221 7.541 ( 0.000 0.178 0.142) 0.228 7.565 ( -0.000 0.757 -1.019) 1.269 8.488 ( 0.000 0.116 0.056) 0.129 8.492 ( -0.000 0.086 -0.054) 0.102 8.818 ( 0.000 1.287 0.604) 1.421 8.861 ( -0.000 0.704 -0.193) 0.730 12.228 ( 0.000 -0.140 0.747) 0.760 12.285 ( -0.000 -0.491 -0.726) 0.876 14.043 ( 0.000 0.062 0.029) 0.068 14.090 ( -0.000 1.817 -3.928) 4.328 14.271 ( 0.000 3.702 0.225) 3.708 14.298 ( -0.000 2.072 -0.417) 2.113 14.503 ( -0.000 -0.388 -0.065) 0.393 14.512 ( -0.000 -0.948 -0.165) 0.962 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -11.902 9.719 11.365) 19.113 0.873 ( -11.930 12.503 13.402) 21.869 1.200 ( -7.085 8.573 -5.584) 12.445 1.386 ( -35.612 13.368 2.467) 38.118 1.502 ( -23.369 11.929 0.326) 26.240 1.734 ( -2.982 0.227 -2.658) 4.001 1.835 ( -13.673 0.910 -1.374) 13.772 1.902 ( -8.773 2.948 -0.113) 9.256 2.443 ( 1.401 -1.379 -2.510) 3.188 2.549 ( -1.812 1.843 -2.935) 3.911 2.742 ( 4.765 -4.930 2.075) 7.164 2.816 ( -0.079 -0.366 1.264) 1.319 2.909 ( -0.508 -2.788 1.764) 3.338 2.959 ( -1.686 -0.471 -0.900) 1.968 3.004 ( -0.096 -3.972 -2.323) 4.603 3.166 ( 4.818 -3.343 -8.605) 10.413 3.341 ( 5.447 -3.213 1.454) 6.489 3.394 ( 3.327 2.802 0.750) 4.414 3.435 ( 4.338 -0.107 0.466) 4.365 3.558 ( 5.129 -1.155 0.262) 5.264 3.598 ( 1.721 -1.460 3.679) 4.316 3.696 ( -1.824 -0.049 2.618) 3.191 3.826 ( 4.200 1.542 1.967) 4.888 3.906 ( 12.151 4.615 -0.860) 13.026 5.284 ( 3.187 -1.539 0.187) 3.544 5.322 ( 2.615 -1.154 -0.754) 2.956 5.373 ( -4.718 -1.780 0.383) 5.057 5.411 ( -3.879 -1.289 -0.278) 4.097 5.504 ( -5.877 -0.240 1.434) 6.054 5.669 ( -3.344 -0.331 -1.645) 3.741 6.432 ( 3.136 -0.495 -0.563) 3.225 6.470 ( 3.935 -0.043 0.012) 3.935 7.430 ( -0.817 -0.223 0.456) 0.962 7.457 ( -1.077 -0.011 0.118) 1.084 7.548 ( -0.546 0.110 0.177) 0.584 7.571 ( -0.756 0.303 -0.303) 0.869 8.415 ( 6.716 0.145 -0.008) 6.717 8.419 ( 6.185 0.160 -0.051) 6.187 8.900 ( -5.974 1.379 0.649) 6.166 8.932 ( -5.882 0.622 -0.248) 5.920 12.231 ( -0.182 -0.180 0.729) 0.773 12.272 ( 0.488 -0.496 -0.639) 0.945 14.073 ( -1.902 0.145 0.010) 1.908 14.117 ( -3.062 -2.723 -2.228) 4.664 14.294 ( 1.826 2.196 -0.337) 2.876 14.325 ( -1.426 3.358 -0.793) 3.733 14.417 ( 0.277 -4.033 1.676) 4.376 14.706 ( -9.643 -0.530 -3.906) 10.418 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -11.230 6.406 8.333) 15.382 1.203 ( -8.315 9.667 7.113) 14.600 1.382 ( -8.492 4.980 -4.744) 10.928 1.584 ( -0.375 1.526 -7.897) 8.052 1.851 ( -7.761 2.611 4.031) 9.127 2.098 ( -11.564 1.493 0.934) 11.698 2.244 ( -24.493 7.097 -2.328) 25.607 2.348 ( -13.831 1.155 -2.033) 14.028 2.517 ( -25.035 1.110 2.939) 25.232 2.578 ( 2.095 -0.856 3.926) 4.532 2.666 ( -6.691 -0.948 -1.007) 6.832 2.734 ( 6.079 -1.095 0.617) 6.208 2.891 ( 4.048 -3.031 -2.206) 5.517 2.955 ( -3.482 0.510 -2.779) 4.485 3.038 ( 2.353 -2.676 -1.558) 3.889 3.060 ( -3.170 2.132 2.205) 4.411 3.167 ( 7.162 -0.759 -3.049) 7.821 3.264 ( 10.717 -3.041 -2.950) 11.524 3.396 ( -0.849 -0.373 0.069) 0.930 3.493 ( 0.940 0.824 2.414) 2.718 3.597 ( -1.601 -0.741 1.624) 2.398 3.690 ( 7.079 0.121 -1.327) 7.203 3.764 ( -2.959 0.319 2.471) 3.868 3.776 ( 6.835 2.883 1.419) 7.553 5.191 ( 5.507 -1.257 0.272) 5.656 5.233 ( 5.439 -0.896 -0.818) 5.573 5.479 ( -6.933 -1.142 0.436) 7.040 5.499 ( -5.898 -0.488 -0.088) 5.919 5.616 ( -6.379 -2.328 -0.973) 6.860 5.747 ( -4.760 0.589 1.034) 4.906 6.301 ( 10.133 -0.742 -0.627) 10.179 6.334 ( 10.777 -0.421 0.162) 10.787 7.457 ( -1.843 0.045 -0.022) 1.844 7.482 ( -1.344 0.299 0.132) 1.383 7.564 ( -1.006 0.053 0.374) 1.074 7.590 ( -1.117 -0.034 -0.266) 1.149 8.286 ( 6.608 0.186 0.140) 6.613 8.299 ( 6.148 0.050 -0.239) 6.153 9.029 ( -6.208 0.712 0.069) 6.249 9.056 ( -6.536 0.608 0.020) 6.564 12.239 ( -0.468 -0.147 0.390) 0.627 12.258 ( 0.464 -0.114 -0.226) 0.528 14.104 ( -1.638 -1.201 -0.098) 2.034 14.139 ( -2.441 -2.845 -1.272) 3.959 14.264 ( 1.798 -0.024 0.514) 1.870 14.336 ( 0.862 2.059 -0.815) 2.376 14.452 ( -3.230 -0.763 1.411) 3.606 14.803 ( -3.249 -0.384 -2.101) 3.888 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -8.623 2.924 1.821) 9.286 1.386 ( -4.873 2.795 1.280) 5.762 1.551 ( -8.317 1.289 -0.618) 8.439 1.621 ( -5.792 1.448 -3.568) 6.955 2.001 ( -4.960 0.587 1.719) 5.282 2.259 ( -4.271 2.254 -0.336) 4.841 2.349 ( 1.479 -1.180 2.425) 3.076 2.431 ( 4.778 0.451 -1.942) 5.177 2.488 ( 3.710 1.185 5.407) 6.664 2.592 ( 7.248 1.521 0.207) 7.408 2.773 ( 2.694 -2.092 -6.657) 7.480 2.829 ( 8.246 -2.424 5.967) 10.463 2.900 ( 4.912 1.226 -1.905) 5.409 3.008 ( 0.697 -1.062 -3.296) 3.532 3.027 ( -5.965 -0.981 1.724) 6.286 3.130 ( -3.880 1.802 -5.172) 6.712 3.164 ( -12.675 -0.784 -0.618) 12.715 3.299 ( -14.393 4.810 2.671) 15.408 3.411 ( -2.636 -5.550 -2.058) 6.480 3.538 ( -1.458 1.691 4.451) 4.980 3.597 ( -2.735 -1.564 0.312) 3.166 3.659 ( 4.004 1.491 -0.021) 4.273 3.823 ( -22.311 3.082 -0.888) 22.540 3.913 ( -14.165 1.888 0.831) 14.315 5.068 ( 6.339 -1.226 0.024) 6.457 5.109 ( 6.575 -0.572 -0.355) 6.610 5.597 ( -5.700 -0.528 0.320) 5.734 5.604 ( -5.248 -0.275 -0.031) 5.255 5.696 ( -4.909 -2.414 -1.435) 5.655 5.843 ( -3.475 0.824 1.705) 3.957 6.032 ( 17.748 -0.729 -0.518) 17.770 6.061 ( 17.836 -0.537 -0.113) 17.844 7.494 ( -1.911 0.076 -0.162) 1.919 7.510 ( -1.237 0.306 0.057) 1.275 7.587 ( -1.048 0.154 0.672) 1.254 7.607 ( -0.946 -0.195 -0.517) 1.096 8.182 ( 4.496 0.047 0.059) 4.497 8.200 ( 4.239 0.092 -0.107) 4.242 9.134 ( -4.766 -0.004 -0.381) 4.781 9.174 ( -5.250 0.495 0.323) 5.283 12.250 ( -0.571 0.119 0.059) 0.586 12.251 ( 0.297 0.129 0.067) 0.330 14.115 ( -1.281 -2.578 0.004) 2.879 14.148 ( -1.824 -3.075 -1.777) 3.993 14.246 ( 0.727 0.463 1.233) 1.504 14.341 ( 0.845 3.360 0.774) 3.549 14.496 ( -1.702 -0.781 -0.387) 1.912 14.824 ( -0.328 -0.227 -0.546) 0.676 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -5.282 -1.760 -1.870) 5.873 1.492 ( -7.315 -1.309 -0.575) 7.454 1.722 ( -9.959 0.377 0.920) 10.009 1.765 ( -7.221 -0.071 0.272) 7.227 2.051 ( -0.365 -0.133 -0.815) 0.903 2.276 ( 7.369 3.047 5.872) 9.903 2.291 ( 4.807 0.632 1.128) 4.977 2.316 ( 7.340 2.333 -0.344) 7.710 2.390 ( 7.508 1.340 -4.319) 8.765 2.480 ( 5.658 -0.506 1.117) 5.790 2.707 ( 3.745 -0.640 0.492) 3.831 2.740 ( -2.556 -1.343 0.174) 2.892 2.751 ( 3.205 -0.991 0.522) 3.395 2.969 ( 1.449 1.527 -3.354) 3.960 3.114 ( -0.569 -3.275 0.595) 3.377 3.171 ( -2.908 1.161 -1.867) 3.646 3.316 ( -3.346 -0.175 2.775) 4.350 3.376 ( -2.846 -2.946 -3.199) 5.198 3.461 ( -0.062 1.996 -0.675) 2.108 3.557 ( 2.149 2.603 3.277) 4.705 3.619 ( -1.055 0.774 0.651) 1.461 3.711 ( -3.970 -0.922 -0.617) 4.122 4.424 ( -33.934 1.584 0.046) 33.971 4.433 ( -35.194 1.734 0.038) 35.237 4.955 ( 4.027 -0.892 -0.148) 4.127 4.991 ( 5.063 -0.095 -0.004) 5.064 5.609 ( 25.523 -0.785 0.024) 25.535 5.638 ( 23.747 -0.232 0.429) 23.752 5.675 ( -2.525 -0.386 0.261) 2.568 5.683 ( -2.105 -0.337 -0.271) 2.149 5.758 ( -2.999 -1.509 -1.180) 3.559 5.919 ( -1.530 0.797 0.648) 1.842 7.525 ( -1.283 0.055 -0.049) 1.285 7.529 ( -0.645 0.106 -0.092) 0.660 7.604 ( -0.064 0.077 0.375) 0.388 7.622 ( -1.067 -0.027 -0.240) 1.094 8.120 ( 2.162 -0.085 -0.050) 2.164 8.142 ( 2.050 0.120 0.034) 2.054 9.203 ( -2.829 -0.264 -0.284) 2.855 9.255 ( -2.759 0.302 0.239) 2.786 12.245 ( 0.443 0.022 -0.012) 0.443 12.263 ( -0.516 0.367 0.055) 0.635 14.118 ( -1.396 -2.588 0.194) 2.947 14.147 ( -1.387 -3.002 -1.449) 3.610 14.248 ( 0.433 1.063 0.739) 1.365 14.362 ( 0.763 4.305 1.800) 4.728 14.504 ( -0.559 -1.101 -1.570) 1.998 14.819 ( 0.355 -0.295 0.126) 0.479 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -2.583 -2.119 -1.290) 3.581 1.643 ( -6.222 -0.360 0.377) 6.244 1.822 ( 1.335 0.538 0.184) 1.451 1.906 ( -4.830 1.849 2.912) 5.935 2.040 ( 1.141 -1.008 -2.843) 3.225 2.081 ( 8.289 -2.234 0.342) 8.591 2.177 ( 5.949 1.366 -0.111) 6.105 2.244 ( 0.891 -0.665 0.714) 1.321 2.296 ( 2.530 1.418 -0.366) 2.924 2.408 ( 1.374 -0.393 -1.998) 2.457 2.710 ( -2.414 1.914 3.005) 4.303 2.746 ( -2.522 0.673 -1.325) 2.928 2.826 ( -5.410 -1.134 3.310) 6.443 2.957 ( -0.182 1.761 -2.746) 3.268 3.094 ( -0.635 -1.662 -0.457) 1.837 3.195 ( -0.067 -2.588 -0.093) 2.591 3.309 ( 2.259 -2.965 1.097) 3.886 3.381 ( 2.647 2.674 -2.105) 4.311 3.460 ( 0.599 0.229 -0.070) 0.646 3.575 ( -0.556 2.947 0.666) 3.072 3.641 ( 0.206 0.539 1.021) 1.173 3.729 ( 0.101 -2.157 -0.380) 2.192 4.914 ( 1.570 -0.330 -0.108) 1.608 4.930 ( -0.402 0.596 -0.018) 0.719 4.987 ( 9.939 -0.131 -0.006) 9.940 4.990 ( -1.131 0.027 0.000) 1.131 5.134 ( -8.074 -0.228 -0.067) 8.077 5.205 ( -1.840 1.137 0.323) 2.187 5.699 ( 0.005 -0.401 0.056) 0.405 5.706 ( -0.016 -0.355 -0.210) 0.413 5.793 ( -1.583 -0.681 -0.283) 1.746 5.934 ( 0.907 0.722 0.290) 1.195 7.532 ( 0.251 -0.065 -0.020) 0.260 7.541 ( -0.275 0.013 -0.020) 0.276 7.596 ( 0.721 -0.144 -0.061) 0.738 7.638 ( -0.489 0.218 0.091) 0.543 8.098 ( 0.070 -0.147 -0.058) 0.172 8.125 ( -0.050 0.115 0.050) 0.136 9.232 ( -0.490 -0.212 -0.096) 0.542 9.280 ( 0.437 0.182 0.091) 0.483 12.236 ( 0.320 -0.204 -0.086) 0.389 12.272 ( 0.026 0.367 0.083) 0.378 14.131 ( -1.196 -1.967 0.904) 2.473 14.142 ( -1.421 -2.294 -1.435) 3.057 14.250 ( 0.556 1.231 0.280) 1.379 14.392 ( 0.759 4.828 1.790) 5.205 14.491 ( -0.042 -1.375 -1.776) 2.247 14.814 ( -0.260 -0.518 0.244) 0.629 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 5.942 -0.061 0.000) 5.942 1.502 ( 17.751 -1.776 0.000) 17.840 1.772 ( 5.710 2.484 0.000) 6.227 1.874 ( 8.536 2.066 0.000) 8.782 1.984 ( 4.076 -3.535 -0.000) 5.395 2.100 ( -10.547 -0.331 -0.000) 10.552 2.174 ( -5.865 -0.600 -0.000) 5.896 2.304 ( -8.638 -1.483 -0.000) 8.764 2.354 ( -0.190 0.960 0.000) 0.979 2.392 ( -5.146 -1.175 -0.000) 5.278 2.826 ( -5.383 3.987 0.000) 6.699 2.842 ( -8.024 1.831 -0.000) 8.231 2.928 ( -5.265 -1.897 -0.000) 5.597 2.966 ( 1.112 1.984 0.000) 2.275 3.089 ( 3.738 -0.749 0.000) 3.812 3.148 ( -1.898 -4.577 -0.000) 4.956 3.220 ( 4.869 -2.665 -0.000) 5.551 3.340 ( 2.191 1.595 0.000) 2.710 3.400 ( 5.931 -0.302 0.000) 5.938 3.621 ( -1.512 2.769 0.000) 3.155 3.626 ( 1.733 -0.022 0.000) 1.733 3.686 ( 2.712 -1.512 -0.000) 3.105 4.354 ( 36.985 -1.714 0.000) 37.025 4.413 ( 34.914 0.095 0.000) 34.914 4.980 ( -4.501 0.629 -0.000) 4.545 5.017 ( -6.056 0.580 -0.000) 6.084 5.634 ( -25.529 0.521 -0.000) 25.535 5.655 ( -15.812 0.946 -0.000) 15.840 5.676 ( -6.327 -0.535 -0.000) 6.349 5.677 ( 2.738 -0.142 0.000) 2.742 5.801 ( 0.218 -0.287 -0.000) 0.360 5.898 ( 3.480 0.377 0.000) 3.500 7.519 ( 0.997 -0.181 0.000) 1.014 7.532 ( 1.300 -0.015 0.000) 1.300 7.580 ( 0.750 -0.189 0.000) 0.773 7.641 ( 0.449 0.236 0.000) 0.508 8.115 ( -2.004 -0.148 -0.000) 2.010 8.146 ( -2.195 0.111 -0.000) 2.197 9.216 ( 2.069 -0.086 0.000) 2.071 9.241 ( 3.764 0.011 0.000) 3.764 12.233 ( -0.287 -0.220 -0.000) 0.362 12.268 ( 0.698 0.205 0.000) 0.727 14.119 ( 0.420 -1.717 -0.000) 1.768 14.170 ( -2.523 -1.014 -0.000) 2.719 14.248 ( 0.793 1.175 0.000) 1.417 14.424 ( 0.425 4.804 0.000) 4.822 14.469 ( 0.704 -1.472 -0.000) 1.632 14.824 ( -1.223 -0.716 -0.000) 1.417 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 14.389 -0.000 14.137) 20.171 0.994 ( 19.989 0.000 4.092) 20.403 1.360 ( 12.663 0.000 -5.424) 13.776 1.624 ( 3.332 0.000 -5.600) 6.516 1.760 ( 5.493 -0.000 2.732) 6.135 2.025 ( 26.975 0.000 6.215) 27.682 2.143 ( 27.052 0.000 -5.673) 27.641 2.352 ( 24.477 0.000 -4.074) 24.814 2.497 ( 0.449 -0.000 2.842) 2.877 2.510 ( 13.283 -0.000 4.540) 14.037 2.682 ( -6.523 -0.000 3.267) 7.296 2.753 ( -10.729 -0.000 0.008) 10.729 2.902 ( 2.534 -0.000 4.292) 4.984 3.009 ( -1.522 0.000 -8.027) 8.170 3.051 ( 4.697 0.000 -3.196) 5.681 3.139 ( -3.002 0.000 -9.581) 10.041 3.209 ( -11.046 -0.000 2.148) 11.253 3.336 ( -7.957 -0.000 -0.542) 7.975 3.392 ( -0.144 -0.000 1.491) 1.498 3.465 ( -5.713 -0.000 3.169) 6.533 3.537 ( -0.791 0.000 -0.653) 1.026 3.655 ( -0.698 -0.000 0.547) 0.886 3.711 ( 0.253 -0.000 3.361) 3.370 3.763 ( 0.144 -0.000 3.063) 3.066 5.215 ( -5.820 -0.000 0.304) 5.828 5.263 ( -5.551 -0.000 -0.985) 5.637 5.487 ( 5.887 0.000 0.805) 5.942 5.496 ( 5.908 0.000 0.336) 5.918 5.666 ( 8.117 0.000 0.654) 8.143 5.733 ( 2.765 0.000 -0.547) 2.819 6.325 ( -10.677 -0.000 -0.090) 10.677 6.340 ( -10.521 -0.000 -0.702) 10.544 7.458 ( 1.864 0.000 0.456) 1.919 7.468 ( 1.244 0.000 0.014) 1.244 7.558 ( 0.711 -0.000 0.580) 0.917 7.594 ( 1.656 0.000 -0.341) 1.691 8.280 ( -6.645 -0.000 0.223) 6.649 8.303 ( -5.994 -0.000 -0.427) 6.009 9.013 ( 7.429 0.000 0.303) 7.435 9.047 ( 6.383 0.000 -0.502) 6.403 12.238 ( 0.593 -0.000 0.355) 0.691 12.264 ( -1.081 -0.000 -0.315) 1.126 14.082 ( 1.239 -0.000 1.299) 1.795 14.212 ( 1.300 0.000 -1.500) 1.985 14.244 ( -1.486 -0.000 -0.166) 1.495 14.333 ( 2.542 0.000 -2.585) 3.626 14.527 ( 0.850 -0.000 3.725) 3.821 14.820 ( 0.937 0.000 -5.950) 6.023 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 16.396 10.723) 19.591 0.615 ( 0.000 16.485 12.313) 20.576 0.861 ( 0.000 5.826 8.203) 10.062 1.069 ( -0.000 10.432 -9.679) 14.231 1.093 ( 0.000 15.409 13.263) 20.331 1.655 ( 0.000 1.812 3.802) 4.212 1.772 ( -0.000 -0.642 -7.844) 7.870 1.798 ( -0.000 1.690 -6.043) 6.275 2.461 ( -0.000 -0.509 -2.638) 2.686 2.484 ( -0.000 1.457 -2.468) 2.866 2.812 ( 0.000 0.627 3.116) 3.179 2.897 ( 0.000 -3.554 1.469) 3.845 2.904 ( -0.000 -7.147 -0.564) 7.169 2.925 ( -0.000 -2.784 -0.307) 2.800 3.067 ( 0.000 -4.849 0.219) 4.854 3.210 ( -0.000 -4.597 -7.260) 8.593 3.372 ( 0.000 2.702 0.729) 2.799 3.439 ( -0.000 1.864 -1.655) 2.492 3.485 ( 0.000 0.230 3.441) 3.449 3.599 ( -0.000 -0.085 -1.344) 1.347 3.670 ( 0.000 -1.590 1.438) 2.144 3.686 ( 0.000 1.519 1.785) 2.343 3.873 ( 0.000 1.264 5.852) 5.987 4.030 ( -0.000 1.286 -5.722) 5.864 5.331 ( 0.000 -1.264 0.282) 1.295 5.343 ( 0.000 -2.721 0.250) 2.732 5.359 ( 0.000 -1.654 0.140) 1.660 5.380 ( -0.000 -2.728 -0.570) 2.787 5.452 ( 0.000 2.403 3.144) 3.957 5.613 ( -0.000 0.121 -4.240) 4.242 6.447 ( 0.000 0.893 1.457) 1.709 6.497 ( -0.000 0.407 -0.968) 1.050 7.438 ( 0.000 -1.109 0.651) 1.286 7.444 ( 0.000 -0.290 0.032) 0.292 7.542 ( 0.000 0.201 0.214) 0.294 7.557 ( -0.000 0.657 -0.711) 0.968 8.489 ( 0.000 0.107 0.077) 0.132 8.492 ( -0.000 0.085 -0.075) 0.113 8.825 ( 0.000 1.308 0.830) 1.549 8.857 ( -0.000 1.073 -0.636) 1.248 12.236 ( 0.000 -0.183 1.024) 1.040 12.277 ( -0.000 -0.441 -0.998) 1.091 14.043 ( 0.000 0.022 0.067) 0.071 14.065 ( -0.000 1.211 -1.977) 2.319 14.274 ( 0.000 3.483 0.414) 3.508 14.294 ( -0.000 2.276 -0.541) 2.340 14.503 ( 0.000 -0.661 0.082) 0.666 14.510 ( -0.000 -0.952 -0.218) 0.976 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -11.654 10.652 9.433) 18.392 0.995 ( -11.824 7.828 11.134) 18.029 1.156 ( -6.768 8.826 -2.535) 11.407 1.381 ( -26.682 9.185 -4.208) 28.531 1.519 ( -26.161 12.149 3.954) 29.114 1.714 ( -3.639 3.344 -2.140) 5.385 1.824 ( -16.292 2.626 -0.619) 16.514 1.892 ( -8.568 3.410 -2.279) 9.500 2.428 ( 0.185 -2.164 -0.859) 2.336 2.523 ( -3.290 1.064 -2.556) 4.299 2.757 ( 5.305 -5.875 1.189) 8.004 2.824 ( 0.444 -0.958 0.490) 1.164 2.926 ( -1.764 -0.992 1.773) 2.691 2.956 ( -0.294 -0.282 0.458) 0.613 2.989 ( -0.006 -4.255 -1.157) 4.410 3.092 ( 5.129 -3.031 -7.594) 9.652 3.353 ( 5.520 -3.052 1.200) 6.421 3.402 ( 2.567 2.455 0.628) 3.607 3.445 ( 5.899 -0.413 1.936) 6.222 3.549 ( 4.191 0.507 -1.803) 4.590 3.626 ( 3.195 -0.927 2.252) 4.018 3.714 ( -1.328 1.361 1.292) 2.299 3.832 ( 6.638 -0.100 -0.290) 6.645 3.911 ( 7.205 1.494 1.666) 7.544 5.286 ( 3.076 -1.595 0.258) 3.475 5.315 ( 2.822 -0.965 -0.787) 3.084 5.378 ( -4.560 -1.887 0.555) 4.966 5.408 ( -4.413 -1.922 -0.375) 4.828 5.518 ( -4.738 -0.682 1.706) 5.082 5.653 ( -4.650 0.415 -1.896) 5.039 6.429 ( 3.731 -0.307 -0.178) 3.748 6.469 ( 3.688 0.249 -0.150) 3.699 7.434 ( -0.649 -0.356 0.289) 0.795 7.458 ( -1.094 -0.035 0.097) 1.099 7.549 ( -0.613 0.035 0.163) 0.635 7.569 ( -0.922 0.290 -0.251) 0.998 8.415 ( 6.586 0.106 -0.020) 6.587 8.419 ( 6.373 0.224 -0.021) 6.377 8.906 ( -5.845 1.330 0.815) 6.049 8.928 ( -5.853 0.879 -0.551) 5.945 12.239 ( -0.049 -0.266 0.860) 0.902 12.266 ( 0.322 -0.378 -0.791) 0.934 14.074 ( -2.172 -0.322 0.157) 2.201 14.099 ( -3.369 -2.174 -1.789) 4.390 14.294 ( 1.548 2.685 0.194) 3.105 14.318 ( -0.298 2.926 -0.842) 3.059 14.429 ( -0.552 -3.659 1.153) 3.876 14.676 ( -8.881 0.804 -2.603) 9.290 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -9.713 4.949 6.714) 12.803 1.257 ( -6.782 7.319 2.602) 10.312 1.359 ( -8.312 6.078 1.736) 10.442 1.507 ( -1.748 3.529 -9.270) 10.072 1.888 ( -7.521 1.474 3.837) 8.570 2.087 ( -9.942 3.324 -2.588) 10.797 2.236 ( -26.114 5.595 -0.005) 26.707 2.336 ( -12.816 1.379 -0.594) 12.904 2.539 ( -25.454 0.502 1.799) 25.522 2.611 ( -0.995 -0.682 3.316) 3.528 2.655 ( -7.580 -1.031 -1.538) 7.803 2.741 ( 6.592 -2.192 0.894) 7.004 2.870 ( 6.799 -2.600 -2.124) 7.583 2.933 ( -3.374 1.616 -2.107) 4.293 3.021 ( -0.332 -0.420 -1.886) 1.960 3.076 ( -6.126 4.114 1.212) 7.478 3.159 ( 10.471 -3.925 0.920) 11.221 3.239 ( 12.448 -3.834 -2.652) 13.292 3.396 ( -0.718 -0.636 0.033) 0.960 3.511 ( 0.431 1.513 1.432) 2.127 3.604 ( -1.187 0.572 0.153) 1.326 3.682 ( 6.491 -2.107 -0.425) 6.838 3.770 ( 0.011 4.171 -0.021) 4.171 3.799 ( 4.640 -0.943 2.273) 5.253 5.193 ( 5.526 -1.380 0.253) 5.701 5.226 ( 5.408 -0.664 -0.597) 5.482 5.483 ( -6.915 -1.093 0.442) 7.015 5.498 ( -6.094 -0.863 -0.184) 6.158 5.609 ( -5.795 -2.670 -0.586) 6.407 5.755 ( -5.336 1.014 0.583) 5.463 6.296 ( 10.097 -0.778 -0.351) 10.133 6.335 ( 10.840 -0.342 0.068) 10.846 7.457 ( -1.762 -0.030 -0.011) 1.762 7.483 ( -1.346 0.292 0.073) 1.380 7.567 ( -1.205 -0.104 0.279) 1.241 7.588 ( -0.973 0.076 -0.211) 0.999 8.287 ( 6.555 0.085 0.117) 6.556 8.297 ( 6.206 0.175 -0.176) 6.211 9.030 ( -5.902 0.587 0.064) 5.931 9.056 ( -6.726 0.784 -0.011) 6.771 12.242 ( -0.287 -0.235 0.309) 0.483 12.256 ( 0.281 0.009 -0.209) 0.350 14.105 ( -1.802 -1.806 0.513) 2.602 14.126 ( -2.360 -2.736 -1.497) 3.911 14.273 ( 1.689 0.016 1.124) 2.029 14.326 ( 0.662 3.580 -1.216) 3.839 14.463 ( -3.115 -2.027 0.956) 3.838 14.787 ( -3.588 0.442 -1.296) 3.841 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -6.796 2.404 1.007) 7.278 1.391 ( -4.211 1.243 -0.053) 4.391 1.554 ( -7.409 2.008 0.962) 7.737 1.594 ( -8.382 2.846 -2.284) 9.142 2.013 ( -4.209 -0.403 0.799) 4.303 2.256 ( -5.448 3.499 -0.332) 6.483 2.367 ( 1.547 -2.157 1.205) 2.915 2.417 ( 3.326 0.872 -1.036) 3.591 2.526 ( 5.556 1.083 2.442) 6.165 2.599 ( 6.263 1.354 1.252) 6.529 2.718 ( 3.388 -1.225 -4.514) 5.776 2.886 ( 9.423 -2.418 4.845) 10.868 2.889 ( 4.988 1.032 0.332) 5.104 2.974 ( 3.615 -0.338 -4.178) 5.536 3.039 ( -6.251 -1.523 0.722) 6.474 3.093 ( -6.960 0.667 -2.316) 7.366 3.162 ( -15.133 -0.307 -0.022) 15.136 3.318 ( -14.245 5.791 1.344) 15.435 3.395 ( -0.838 -6.498 -1.189) 6.659 3.567 ( -5.714 0.129 1.974) 6.047 3.597 ( -0.952 -0.628 -0.325) 1.186 3.660 ( 7.063 2.270 0.143) 7.420 3.816 ( -23.483 3.206 -0.470) 23.706 3.919 ( -13.814 1.634 0.349) 13.915 5.068 ( 6.383 -1.397 0.011) 6.534 5.107 ( 6.503 -0.359 -0.139) 6.515 5.599 ( -5.560 -0.538 0.172) 5.589 5.604 ( -5.375 -0.385 -0.029) 5.389 5.687 ( -5.024 -2.559 -0.538) 5.663 5.854 ( -3.628 1.116 0.630) 3.848 6.028 ( 17.840 -0.884 -0.222) 17.864 6.060 ( 17.980 -0.535 -0.040) 17.988 7.493 ( -1.908 0.045 -0.056) 1.909 7.510 ( -1.205 0.296 0.016) 1.241 7.593 ( -1.336 -0.029 0.499) 1.427 7.602 ( -0.677 -0.012 -0.440) 0.808 8.183 ( 4.508 -0.045 0.024) 4.509 8.199 ( 4.216 0.188 -0.042) 4.221 9.132 ( -4.719 -0.035 -0.132) 4.721 9.176 ( -5.278 0.525 0.110) 5.305 12.250 ( -0.569 0.132 0.023) 0.585 12.251 ( 0.317 0.129 0.025) 0.343 14.117 ( -1.220 -2.800 0.353) 3.075 14.135 ( -1.870 -3.034 -1.019) 3.707 14.255 ( 0.725 0.281 0.561) 0.959 14.345 ( 0.753 4.861 0.174) 4.922 14.494 ( -1.671 -2.196 -0.125) 2.763 14.821 ( -0.491 0.163 -0.210) 0.558 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 -0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -4.676 -2.056 -0.000) 5.108 1.490 ( -7.663 -1.377 -0.000) 7.786 1.726 ( -10.444 0.692 -0.000) 10.467 1.766 ( -7.211 0.088 -0.000) 7.212 2.047 ( -0.021 -0.489 -0.000) 0.490 2.297 ( 4.396 0.275 0.000) 4.405 2.306 ( 8.447 4.797 0.000) 9.715 2.335 ( 0.550 2.257 0.000) 2.323 2.343 ( 13.367 -0.306 0.000) 13.371 2.490 ( 7.798 0.338 0.000) 7.805 2.694 ( -1.133 -1.961 -0.000) 2.265 2.741 ( 2.785 -1.268 -0.000) 3.060 2.771 ( 0.686 -0.342 -0.000) 0.766 2.950 ( 1.633 2.466 0.000) 2.957 3.116 ( 0.098 -2.962 -0.000) 2.964 3.164 ( -3.986 0.276 -0.000) 3.996 3.340 ( -4.957 2.482 0.000) 5.544 3.350 ( -1.280 -6.324 -0.000) 6.452 3.458 ( 0.112 2.464 0.000) 2.466 3.573 ( 3.025 2.286 0.000) 3.792 3.622 ( -1.387 1.360 0.000) 1.943 3.708 ( -4.234 -1.048 -0.000) 4.362 4.424 ( -33.928 1.531 -0.000) 33.962 4.433 ( -35.197 1.790 -0.000) 35.243 4.955 ( 4.014 -0.953 0.000) 4.126 4.991 ( 5.057 -0.028 0.000) 5.057 5.609 ( 25.625 -0.775 0.000) 25.636 5.640 ( 23.817 -0.064 0.000) 23.817 5.678 ( -1.495 -0.460 -0.000) 1.564 5.681 ( -2.793 -0.392 -0.000) 2.821 5.752 ( -3.517 -1.660 -0.000) 3.889 5.922 ( -1.542 0.870 0.000) 1.770 7.524 ( -1.360 0.023 -0.000) 1.360 7.529 ( -0.575 0.119 -0.000) 0.587 7.605 ( 0.109 -0.032 0.000) 0.114 7.621 ( -1.232 0.092 -0.000) 1.236 8.120 ( 2.166 -0.118 0.000) 2.170 8.142 ( 2.043 0.151 0.000) 2.049 9.202 ( -2.852 -0.289 -0.000) 2.866 9.256 ( -2.744 0.324 -0.000) 2.763 12.245 ( 0.463 -0.021 0.000) 0.464 12.264 ( -0.523 0.409 0.000) 0.664 14.120 ( -1.529 -2.722 -0.000) 3.122 14.140 ( -1.285 -2.844 -0.000) 3.121 14.251 ( 0.446 0.930 0.000) 1.031 14.371 ( 0.874 5.362 0.000) 5.433 14.496 ( -0.664 -2.190 -0.000) 2.289 14.819 ( 0.322 -0.142 0.000) 0.352 ======================= Grid point 150 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 16.079 -1.936 6.499) 17.451 1.312 ( 12.120 -0.468 1.093) 12.178 1.574 ( 11.966 0.331 -3.811) 12.563 1.651 ( 6.905 -0.116 -5.596) 8.888 1.935 ( 6.743 -0.740 5.748) 8.891 2.236 ( 0.253 -0.353 -4.550) 4.571 2.352 ( 2.059 0.639 4.537) 5.023 2.409 ( -5.466 -0.362 5.375) 7.674 2.485 ( -9.631 2.038 0.448) 9.855 2.527 ( -9.461 -2.275 -0.451) 9.741 2.838 ( -1.238 -0.371 -5.081) 5.243 2.851 ( 11.073 -1.371 -1.460) 11.253 2.889 ( -4.812 0.984 -1.919) 5.273 3.044 ( 3.725 1.565 2.719) 4.870 3.089 ( 0.941 2.012 1.016) 2.443 3.110 ( 4.649 -1.897 -0.808) 5.086 3.123 ( -5.551 -1.471 -2.584) 6.298 3.276 ( 12.722 0.992 -1.495) 12.848 3.411 ( 0.294 -1.258 4.769) 4.941 3.472 ( 6.503 -0.726 -0.538) 6.565 3.595 ( 7.817 -0.010 0.450) 7.830 3.656 ( -0.782 -0.959 -1.445) 1.902 3.810 ( 13.027 1.302 0.446) 13.099 3.855 ( 16.630 -0.838 0.713) 16.667 5.097 ( -6.463 0.466 0.463) 6.496 5.138 ( -6.860 0.394 -0.949) 6.936 5.597 ( 5.095 -0.180 0.547) 5.127 5.604 ( 5.134 0.044 0.278) 5.142 5.774 ( 3.093 1.445 -0.267) 3.424 5.803 ( 4.857 -0.920 0.138) 4.945 6.054 ( -18.180 0.329 0.129) 18.184 6.071 ( -17.947 0.045 -0.312) 17.949 7.494 ( 1.686 0.085 0.020) 1.688 7.498 ( 1.788 -0.262 0.100) 1.810 7.576 ( 0.760 -0.075 0.826) 1.125 7.618 ( 1.178 0.092 -0.662) 1.355 8.178 ( -4.359 -0.051 0.395) 4.377 8.203 ( -4.314 0.037 -0.479) 4.341 9.142 ( 5.880 0.277 -0.095) 5.888 9.153 ( 5.040 -0.468 -0.027) 5.061 12.246 ( -0.722 -0.049 0.123) 0.734 12.251 ( 0.707 0.041 -0.065) 0.712 14.112 ( 0.854 -0.551 1.438) 1.761 14.206 ( -1.440 -1.017 -1.258) 2.166 14.234 ( 0.695 1.257 0.531) 1.531 14.344 ( 0.536 0.159 -3.884) 3.924 14.558 ( 1.324 2.730 5.067) 5.906 14.805 ( -0.630 -1.397 -3.499) 3.820 ======================= Grid point 151 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 9.722 -0.000 16.050) 18.765 1.037 ( 18.177 0.000 5.494) 18.989 1.308 ( 13.620 0.000 -5.866) 14.830 1.554 ( 1.116 0.000 -9.974) 10.036 1.798 ( 9.902 -0.000 5.633) 11.392 2.064 ( 11.751 0.000 -2.681) 12.053 2.104 ( 37.465 0.000 2.306) 37.536 2.314 ( 25.562 0.000 -4.478) 25.951 2.524 ( 5.054 -0.000 3.281) 6.026 2.547 ( 13.362 0.000 3.701) 13.865 2.721 ( -7.261 -0.000 5.374) 9.033 2.755 ( -10.642 -0.000 0.630) 10.661 2.929 ( -3.824 0.000 -4.729) 6.081 2.946 ( 4.397 0.000 0.568) 4.434 3.005 ( -0.827 0.000 -7.544) 7.589 3.068 ( 2.270 0.000 -5.715) 6.149 3.232 ( -11.508 -0.000 2.997) 11.891 3.329 ( -8.839 -0.000 -1.187) 8.918 3.404 ( 1.542 -0.000 1.265) 1.994 3.470 ( -1.948 0.000 -1.585) 2.511 3.549 ( -3.137 -0.000 3.014) 4.350 3.649 ( -2.338 0.000 -1.476) 2.765 3.748 ( -1.116 -0.000 4.422) 4.560 3.788 ( -1.064 -0.000 2.404) 2.629 5.219 ( -5.767 -0.000 0.522) 5.790 5.253 ( -5.549 -0.000 -1.176) 5.673 5.494 ( 5.729 0.000 0.785) 5.782 5.500 ( 5.833 0.000 0.341) 5.843 5.673 ( 7.525 0.000 1.101) 7.605 5.726 ( 3.412 0.000 -1.058) 3.572 6.324 ( -10.507 -0.000 -0.066) 10.507 6.333 ( -10.209 -0.000 -0.673) 10.231 7.462 ( 1.637 0.000 0.426) 1.691 7.468 ( 1.262 0.000 -0.011) 1.262 7.564 ( 0.802 -0.000 0.757) 1.103 7.590 ( 1.521 0.000 -0.506) 1.603 8.282 ( -6.549 -0.000 0.326) 6.557 8.299 ( -6.049 -0.000 -0.518) 6.072 9.017 ( 7.301 0.000 0.492) 7.318 9.041 ( 6.521 0.000 -0.675) 6.556 12.242 ( 0.369 -0.000 0.479) 0.605 12.260 ( -0.848 0.000 -0.440) 0.955 14.097 ( 1.369 -0.000 1.924) 2.361 14.193 ( 1.307 0.000 -2.629) 2.936 14.246 ( -0.847 -0.000 0.686) 1.090 14.309 ( 1.569 0.000 -2.580) 3.020 14.563 ( 1.988 -0.000 4.437) 4.862 14.763 ( 2.604 0.000 -6.590) 7.086 ======================= Grid point 153 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 14.635 9.772) 17.598 0.713 ( 0.000 17.445 8.899) 19.583 0.875 ( -0.000 5.239 -1.534) 5.460 0.978 ( -0.000 10.335 -10.392) 14.656 1.267 ( 0.000 10.064 22.713) 24.843 1.644 ( -0.000 1.523 -17.637) 17.703 1.694 ( 0.000 2.044 4.660) 5.089 1.770 ( -0.000 2.424 -3.218) 4.029 2.447 ( -0.000 -0.760 -0.453) 0.884 2.465 ( -0.000 0.093 -1.891) 1.894 2.837 ( 0.000 -0.027 2.627) 2.628 2.885 ( -0.000 -1.820 -2.711) 3.265 2.910 ( 0.000 -3.984 1.474) 4.248 2.927 ( -0.000 -5.911 -0.080) 5.911 3.078 ( 0.000 -5.121 2.198) 5.573 3.150 ( -0.000 -4.772 -5.915) 7.600 3.384 ( 0.000 2.768 1.930) 3.375 3.423 ( -0.000 2.296 -2.059) 3.084 3.519 ( 0.000 0.502 3.918) 3.950 3.582 ( -0.000 0.453 -2.648) 2.687 3.679 ( 0.000 0.033 0.829) 0.830 3.691 ( -0.000 2.561 -0.317) 2.581 3.921 ( 0.000 -0.525 4.785) 4.814 3.989 ( -0.000 -1.154 -3.664) 3.842 5.334 ( 0.000 -1.463 0.429) 1.525 5.343 ( -0.000 -2.244 -0.313) 2.266 5.362 ( 0.000 -2.097 0.529) 2.163 5.374 ( -0.000 -2.652 -0.678) 2.737 5.486 ( 0.000 1.798 4.359) 4.716 5.572 ( -0.000 0.634 -4.844) 4.885 6.461 ( 0.000 0.788 1.575) 1.761 6.487 ( -0.000 0.570 -1.302) 1.422 7.442 ( 0.000 -0.814 0.304) 0.869 7.444 ( -0.000 -0.405 -0.013) 0.405 7.545 ( 0.000 0.248 0.290) 0.382 7.552 ( -0.000 0.474 -0.506) 0.693 8.489 ( 0.000 0.098 0.089) 0.133 8.491 ( -0.000 0.086 -0.088) 0.123 8.833 ( 0.000 1.327 0.968) 1.643 8.850 ( -0.000 1.261 -0.895) 1.546 12.246 ( 0.000 -0.240 1.196) 1.220 12.268 ( -0.000 -0.376 -1.179) 1.238 14.044 ( 0.000 0.021 0.167) 0.169 14.052 ( -0.000 0.515 -0.922) 1.056 14.278 ( 0.000 3.201 0.527) 3.244 14.289 ( -0.000 2.556 -0.595) 2.624 14.504 ( 0.000 -0.822 0.173) 0.840 14.508 ( -0.000 -0.944 -0.239) 0.973 ======================= Grid point 154 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -11.790 10.717 7.933) 17.799 1.015 ( -9.453 8.084 -4.719) 13.303 1.199 ( -11.777 5.949 9.712) 16.383 1.318 ( -18.948 7.809 -8.579) 22.217 1.559 ( -21.973 9.469 3.534) 24.186 1.693 ( -13.410 8.591 -2.140) 16.069 1.829 ( -13.395 2.997 1.585) 13.817 1.866 ( -8.830 3.397 -2.798) 9.866 2.425 ( -0.515 -2.462 -0.055) 2.516 2.507 ( -4.000 0.454 -1.008) 4.150 2.763 ( 5.494 -6.244 0.326) 8.324 2.826 ( 0.481 -1.305 0.033) 1.392 2.937 ( -4.101 1.358 0.627) 4.365 2.967 ( -0.244 -0.695 1.527) 1.695 2.984 ( 2.555 -5.305 0.190) 5.892 3.036 ( 5.491 -2.996 -4.488) 7.699 3.361 ( 5.691 -3.035 0.489) 6.468 3.404 ( 1.698 2.315 0.033) 2.871 3.466 ( 7.858 -1.609 1.949) 8.254 3.531 ( 3.219 2.674 -1.703) 4.518 3.638 ( 3.872 -0.182 0.646) 3.930 3.720 ( -1.266 2.232 0.258) 2.579 3.829 ( 7.096 -2.042 -0.205) 7.387 3.925 ( 5.226 0.223 0.911) 5.309 5.288 ( 2.957 -1.686 0.159) 3.407 5.310 ( 2.974 -0.844 -0.367) 3.113 5.382 ( -4.421 -1.863 0.299) 4.807 5.405 ( -4.725 -2.304 -0.223) 5.261 5.531 ( -3.626 -1.309 0.887) 3.956 5.639 ( -5.852 1.212 -0.960) 6.053 6.429 ( 4.160 -0.259 -0.016) 4.168 6.468 ( 3.481 0.425 -0.087) 3.508 7.435 ( -0.575 -0.408 0.095) 0.712 7.458 ( -1.102 -0.049 0.037) 1.103 7.550 ( -0.650 -0.015 0.070) 0.654 7.567 ( -1.012 0.288 -0.101) 1.057 8.414 ( 6.512 0.085 -0.010) 6.512 8.419 ( 6.480 0.256 -0.004) 6.485 8.914 ( -5.622 1.225 0.762) 5.804 8.922 ( -6.009 1.104 -0.673) 6.146 12.246 ( 0.153 -0.432 0.677) 0.818 12.259 ( 0.101 -0.192 -0.651) 0.686 14.076 ( -2.685 -0.811 0.334) 2.825 14.086 ( -3.034 -1.674 -0.919) 3.585 14.296 ( 0.766 3.439 0.287) 3.535 14.311 ( 0.900 2.243 -0.495) 2.467 14.437 ( -1.053 -3.502 0.413) 3.680 14.661 ( -8.320 1.372 -0.897) 8.479 ======================= Grid point 155 (67/171) ======================= q-point: (-0.30 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -7.843 4.248 0.000) 8.919 1.250 ( -9.386 6.139 0.000) 11.216 1.409 ( -5.672 4.894 0.000) 7.492 1.432 ( -3.006 6.350 0.000) 7.025 1.908 ( -7.168 0.634 -0.000) 7.196 2.071 ( -9.983 4.659 0.000) 11.017 2.237 ( -26.478 4.687 -0.000) 26.890 2.334 ( -12.327 1.563 -0.000) 12.425 2.547 ( -25.434 0.178 -0.000) 25.434 2.635 ( 2.802 -1.953 -0.000) 3.416 2.639 ( -13.299 0.633 -0.000) 13.314 2.746 ( 7.462 -3.457 -0.000) 8.224 2.860 ( 6.988 -1.652 0.000) 7.181 2.922 ( -3.092 2.162 0.000) 3.773 3.012 ( -1.176 0.199 -0.000) 1.192 3.081 ( -6.236 4.204 0.000) 7.520 3.168 ( 10.051 -4.475 -0.000) 11.002 3.224 ( 13.853 -4.219 0.000) 14.481 3.396 ( -0.650 -0.724 -0.000) 0.973 3.517 ( 0.324 1.906 0.000) 1.934 3.604 ( -0.984 1.007 0.000) 1.409 3.680 ( 6.092 -3.027 -0.000) 6.803 3.769 ( 0.615 4.377 0.000) 4.420 3.810 ( 4.336 -1.132 0.000) 4.482 5.195 ( 5.540 -1.462 0.000) 5.729 5.223 ( 5.387 -0.542 0.000) 5.415 5.486 ( -6.892 -1.008 -0.000) 6.965 5.497 ( -6.195 -1.068 -0.000) 6.286 5.606 ( -5.572 -2.791 -0.000) 6.232 5.757 ( -5.546 1.168 -0.000) 5.668 6.295 ( 10.095 -0.792 0.000) 10.126 6.335 ( 10.858 -0.315 0.000) 10.862 7.457 ( -1.734 -0.056 -0.000) 1.735 7.483 ( -1.346 0.288 -0.000) 1.376 7.569 ( -1.312 -0.187 -0.000) 1.325 7.587 ( -0.888 0.140 -0.000) 0.899 8.288 ( 6.527 0.023 0.000) 6.527 8.296 ( 6.235 0.246 0.000) 6.240 9.030 ( -5.774 0.534 -0.000) 5.798 9.056 ( -6.810 0.857 -0.000) 6.864 12.244 ( -0.187 -0.302 -0.000) 0.355 12.255 ( 0.180 0.088 0.000) 0.201 14.111 ( -1.817 -1.990 -0.000) 2.694 14.115 ( -2.353 -2.704 -0.000) 3.584 14.279 ( 1.670 -0.419 0.000) 1.722 14.319 ( 0.551 4.491 0.000) 4.525 14.467 ( -3.083 -2.444 -0.000) 3.934 14.781 ( -3.704 0.763 -0.000) 3.782 ======================= Grid point 161 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 8.466 0.005 0.374) 8.474 1.506 ( 13.150 -0.684 -0.159) 13.169 1.749 ( 7.726 1.499 -0.876) 7.918 1.790 ( 7.173 0.447 -2.461) 7.597 2.042 ( 2.243 -0.396 2.471) 3.361 2.132 ( -7.604 -1.938 1.770) 8.044 2.262 ( -6.565 -0.006 3.564) 7.470 2.274 ( -7.656 -0.835 -0.248) 7.705 2.393 ( -6.444 0.346 1.515) 6.629 2.480 ( 0.124 -0.723 1.280) 1.475 2.708 ( -5.798 1.991 0.604) 6.160 2.754 ( -4.790 -0.877 -3.161) 5.806 2.858 ( -2.762 2.934 -4.746) 6.226 2.953 ( -1.772 -2.832 -6.022) 6.886 3.130 ( -1.128 -0.305 0.374) 1.226 3.210 ( 7.639 1.893 5.888) 9.829 3.217 ( 1.341 -2.247 1.615) 3.075 3.402 ( 4.242 -0.549 -0.275) 4.286 3.451 ( 0.746 -0.974 4.635) 4.794 3.541 ( 1.911 0.491 -4.021) 4.479 3.609 ( -1.545 1.669 -0.523) 2.334 3.700 ( 2.061 -1.473 -0.406) 2.565 4.365 ( 36.652 -1.370 0.836) 36.687 4.401 ( 35.395 -0.318 -0.848) 35.406 4.985 ( -4.712 0.737 0.336) 4.781 5.008 ( -5.656 0.503 -0.561) 5.706 5.633 ( -24.536 0.538 -0.017) 24.542 5.647 ( -22.305 0.204 -0.464) 22.311 5.676 ( 2.266 -0.082 0.507) 2.323 5.687 ( -0.168 -0.031 0.120) 0.209 5.812 ( 0.999 1.126 0.572) 1.610 5.888 ( 2.235 -0.734 -0.551) 2.416 7.521 ( 1.095 -0.087 0.160) 1.110 7.529 ( 1.232 -0.016 -0.193) 1.247 7.593 ( 0.590 -0.111 0.908) 1.088 7.630 ( 0.491 0.103 -0.794) 0.939 8.121 ( -2.023 0.000 0.384) 2.060 8.141 ( -2.121 -0.024 -0.383) 2.155 9.216 ( 2.678 0.376 0.018) 2.704 9.240 ( 3.221 -0.443 -0.063) 3.252 12.240 ( -0.119 -0.102 0.496) 0.520 12.261 ( 0.503 0.071 -0.444) 0.675 14.129 ( -0.155 -0.563 0.623) 0.854 14.188 ( -1.560 -2.709 0.711) 3.206 14.237 ( 0.793 2.006 0.022) 2.157 14.327 ( 0.058 0.814 -3.712) 3.800 14.573 ( 0.767 3.455 3.901) 5.267 14.793 ( -0.715 -2.017 -1.948) 2.894 ======================= Grid point 162 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 12.356 -1.476 6.421) 14.003 1.322 ( 10.338 -0.690 0.934) 10.403 1.544 ( 13.083 0.162 -2.617) 13.344 1.600 ( 9.239 -0.134 -5.612) 10.811 1.989 ( 6.142 -0.150 6.392) 8.867 2.186 ( 2.157 -1.093 -6.383) 6.826 2.391 ( 1.136 0.699 4.093) 4.304 2.453 ( 0.195 0.349 3.169) 3.194 2.493 ( -13.661 1.727 1.886) 13.898 2.532 ( -10.031 -1.958 1.773) 10.373 2.785 ( -0.705 0.010 -6.511) 6.549 2.808 ( 3.691 -2.191 -5.179) 6.727 2.913 ( -5.147 1.262 4.566) 6.995 3.053 ( 1.330 1.074 -3.261) 3.682 3.075 ( -0.805 0.400 -0.326) 0.956 3.114 ( 4.006 -0.021 2.001) 4.478 3.128 ( 6.415 -1.074 2.012) 6.808 3.251 ( 15.153 0.833 -3.840) 15.654 3.446 ( 1.793 -0.834 2.641) 3.299 3.477 ( 1.614 -1.514 1.656) 2.764 3.599 ( 7.701 -0.033 0.473) 7.716 3.641 ( 0.649 -1.211 -1.945) 2.381 3.813 ( 14.197 2.823 0.209) 14.477 3.861 ( 13.553 -1.960 0.680) 13.711 5.102 ( -6.475 0.527 0.663) 6.530 5.129 ( -6.725 0.337 -1.051) 6.815 5.602 ( 5.043 -0.104 0.498) 5.068 5.606 ( 5.098 0.022 0.186) 5.101 5.772 ( 3.658 2.098 -0.261) 4.225 5.804 ( 4.073 -1.617 0.134) 4.385 6.056 ( -18.012 0.504 0.163) 18.020 6.068 ( -17.908 -0.071 -0.313) 17.911 7.494 ( 1.733 0.164 0.029) 1.741 7.499 ( 1.643 -0.308 0.059) 1.673 7.584 ( 0.826 -0.047 1.017) 1.311 7.611 ( 1.084 0.059 -0.877) 1.395 8.182 ( -4.332 -0.000 0.504) 4.361 8.198 ( -4.289 -0.017 -0.572) 4.327 9.142 ( 5.627 0.486 -0.070) 5.649 9.153 ( 5.327 -0.689 -0.028) 5.372 12.247 ( -0.462 -0.039 0.144) 0.485 12.250 ( 0.445 0.016 -0.097) 0.455 14.126 ( 0.659 -0.168 1.806) 1.929 14.191 ( -0.360 -0.897 -1.983) 2.206 14.243 ( 0.115 0.873 1.460) 1.705 14.312 ( 0.274 0.003 -3.334) 3.346 14.602 ( 1.439 3.818 4.595) 6.145 14.771 ( 0.047 -2.553 -3.823) 4.598 ======================= Grid point 163 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 15.875 -0.000 6.103) 17.007 1.118 ( 6.507 -0.000 11.139) 12.900 1.268 ( 14.061 0.000 -1.137) 14.107 1.450 ( 2.535 0.000 -12.922) 13.168 1.857 ( 11.506 -0.000 7.373) 13.666 2.002 ( 13.138 0.000 -8.283) 15.531 2.158 ( 32.161 0.000 7.010) 32.916 2.271 ( 27.337 0.000 -5.341) 27.854 2.553 ( 8.562 -0.000 2.886) 9.035 2.572 ( 13.041 0.000 1.485) 13.125 2.768 ( -10.122 -0.000 2.609) 10.453 2.776 ( -7.830 -0.000 7.003) 10.505 2.862 ( -4.369 0.000 -7.286) 8.496 2.926 ( -4.223 0.000 -9.323) 10.235 2.976 ( 4.370 -0.000 3.430) 5.556 3.031 ( 4.781 0.000 -3.212) 5.760 3.261 ( -11.707 -0.000 3.406) 12.192 3.314 ( -10.164 -0.000 -2.144) 10.387 3.416 ( 2.384 -0.000 1.422) 2.776 3.450 ( 0.792 0.000 -2.417) 2.544 3.579 ( -3.905 -0.000 3.453) 5.213 3.632 ( -3.047 0.000 -2.372) 3.862 3.783 ( -2.311 -0.000 3.123) 3.885 3.803 ( -2.053 -0.000 0.861) 2.226 5.225 ( -5.703 -0.000 0.771) 5.755 5.242 ( -5.582 -0.000 -1.164) 5.702 5.500 ( 5.654 0.000 0.495) 5.676 5.502 ( 5.750 0.000 0.190) 5.753 5.685 ( 6.630 0.000 1.511) 6.801 5.714 ( 4.377 0.000 -1.511) 4.630 6.324 ( -10.309 -0.000 0.036) 10.309 6.328 ( -10.081 -0.000 -0.467) 10.092 7.465 ( 1.467 0.000 0.303) 1.498 7.468 ( 1.297 0.000 -0.070) 1.299 7.571 ( 0.952 -0.000 0.816) 1.254 7.585 ( 1.344 0.000 -0.656) 1.495 8.286 ( -6.423 -0.000 0.416) 6.437 8.294 ( -6.151 -0.000 -0.529) 6.174 9.022 ( 7.119 0.000 0.658) 7.150 9.035 ( 6.702 0.000 -0.765) 6.745 12.246 ( 0.085 -0.000 0.551) 0.557 12.256 ( -0.555 0.000 -0.526) 0.765 14.117 ( 1.479 -0.000 2.485) 2.892 14.167 ( 1.427 0.000 -3.014) 3.335 14.255 ( -0.299 -0.000 1.298) 1.332 14.287 ( 0.819 0.000 -2.270) 2.414 14.605 ( 2.870 -0.000 5.011) 5.775 14.706 ( 3.414 0.000 -6.258) 7.129 ======================= Grid point 165 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 15.419 -3.248) 15.757 0.739 ( 0.000 15.419 3.248) 15.757 0.894 ( -0.000 8.406 -6.926) 10.892 0.894 ( 0.000 8.406 6.926) 10.892 1.468 ( -0.000 5.206 -21.596) 22.215 1.468 ( 0.000 5.206 21.596) 22.215 1.735 ( -0.000 2.238 -4.493) 5.020 1.735 ( 0.000 2.238 4.493) 5.020 2.451 ( -0.000 -0.601 -1.021) 1.184 2.451 ( 0.000 -0.601 1.021) 1.184 2.861 ( -0.000 -0.757 -2.529) 2.640 2.861 ( 0.000 -0.757 2.529) 2.640 2.921 ( 0.000 -4.888 -0.550) 4.919 2.921 ( 0.000 -4.888 0.550) 4.919 3.106 ( -0.000 -5.030 -4.060) 6.464 3.106 ( 0.000 -5.030 4.060) 6.464 3.403 ( -0.000 2.610 -2.220) 3.426 3.403 ( 0.000 2.610 2.220) 3.426 3.553 ( -0.000 0.701 -3.673) 3.739 3.553 ( 0.000 0.701 3.673) 3.739 3.686 ( -0.000 1.593 -0.676) 1.730 3.686 ( 0.000 1.593 0.676) 1.730 3.958 ( -0.000 -1.524 -3.558) 3.870 3.958 ( 0.000 -1.524 3.558) 3.870 5.339 ( 0.000 -1.760 -0.412) 1.807 5.339 ( 0.000 -1.760 0.412) 1.807 5.368 ( -0.000 -2.480 -0.652) 2.564 5.368 ( 0.000 -2.480 0.652) 2.564 5.528 ( -0.000 1.200 -4.794) 4.942 5.528 ( 0.000 1.200 4.794) 4.942 6.475 ( -0.000 0.686 -1.461) 1.614 6.475 ( 0.000 0.686 1.461) 1.614 7.444 ( 0.000 -0.575 -0.049) 0.577 7.444 ( 0.000 -0.575 0.049) 0.577 7.548 ( -0.000 0.334 -0.347) 0.482 7.548 ( 0.000 0.334 0.347) 0.482 8.490 ( -0.000 0.091 -0.079) 0.120 8.490 ( 0.000 0.091 0.079) 0.120 8.842 ( -0.000 1.325 -0.997) 1.658 8.842 ( 0.000 1.325 0.997) 1.658 12.257 ( -0.000 -0.306 -1.247) 1.284 12.257 ( 0.000 -0.306 1.247) 1.284 14.047 ( -0.000 0.145 -0.375) 0.402 14.047 ( 0.000 0.145 0.375) 0.402 14.283 ( -0.000 2.879 -0.539) 2.929 14.283 ( 0.000 2.879 0.539) 2.929 14.506 ( 0.000 -0.907 -0.027) 0.907 14.506 ( 0.000 -0.907 0.027) 0.907 ======================= Grid point 172 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -1.125 1.886 -0.670) 2.296 1.627 ( 1.659 -0.250 3.816) 4.169 1.774 ( -3.688 -1.716 -1.578) 4.363 1.829 ( -2.400 -2.473 -2.199) 4.088 2.073 ( 3.015 0.396 1.630) 3.450 2.151 ( 5.659 1.508 0.797) 5.911 2.174 ( -2.895 1.965 0.449) 3.527 2.247 ( 2.179 0.536 2.120) 3.087 2.277 ( -0.321 -1.020 -1.351) 1.723 2.456 ( -1.709 0.410 -5.293) 5.578 2.632 ( -2.155 -0.647 3.231) 3.937 2.735 ( 0.051 -0.163 0.746) 0.765 2.801 ( 1.070 -0.280 1.051) 1.526 2.952 ( 1.277 -1.618 -5.336) 5.720 3.103 ( -1.017 -0.055 0.897) 1.357 3.242 ( -0.508 -2.122 2.089) 3.021 3.320 ( 3.364 3.207 2.637) 5.344 3.443 ( -0.101 0.209 0.049) 0.237 3.483 ( -0.110 -0.652 1.370) 1.521 3.504 ( -0.832 3.599 -3.163) 4.863 3.601 ( 0.025 -1.331 -0.564) 1.446 3.735 ( 0.046 -2.175 -0.352) 2.204 4.921 ( 1.468 0.179 0.318) 1.512 4.931 ( -0.784 0.612 0.027) 0.995 4.988 ( 7.668 -0.103 0.062) 7.669 4.990 ( 1.275 0.006 -0.027) 1.275 5.141 ( -5.919 -0.010 0.514) 5.941 5.178 ( -3.602 -0.107 -1.213) 3.802 5.704 ( -0.021 -0.016 0.389) 0.390 5.712 ( -0.062 -0.136 -0.019) 0.151 5.818 ( -0.203 0.631 1.177) 1.351 5.909 ( -0.187 -0.618 -1.172) 1.338 7.534 ( 0.175 0.085 0.139) 0.239 7.541 ( 0.129 0.001 -0.055) 0.140 7.602 ( -0.040 0.195 0.312) 0.370 7.631 ( -0.065 -0.221 -0.370) 0.436 8.103 ( 0.037 0.121 0.228) 0.261 8.120 ( -0.001 -0.124 -0.209) 0.243 9.240 ( 0.040 0.251 0.374) 0.452 9.272 ( -0.006 -0.260 -0.360) 0.444 12.243 ( 0.164 0.177 0.377) 0.448 12.265 ( 0.111 0.000 -0.368) 0.384 14.125 ( -0.869 -1.274 0.203) 1.555 14.195 ( -1.408 -4.024 2.048) 4.730 14.230 ( 0.476 2.485 -0.502) 2.579 14.305 ( 0.133 0.988 -3.229) 3.380 14.570 ( 0.413 3.642 2.326) 4.341 14.794 ( -0.031 -1.937 -0.864) 2.121 ======================= Grid point 173 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 9.426 0.073 0.069) 9.427 1.504 ( 11.026 -0.251 -0.182) 11.030 1.743 ( 8.195 1.378 -0.404) 8.320 1.774 ( 8.258 0.056 -1.047) 8.325 2.062 ( -0.028 0.656 1.802) 1.918 2.144 ( -5.315 -3.244 0.925) 6.295 2.275 ( -8.288 -0.521 0.733) 8.336 2.286 ( -6.485 -0.257 1.478) 6.657 2.402 ( -6.612 1.475 0.463) 6.790 2.477 ( -2.356 -0.651 -1.208) 2.727 2.740 ( -3.734 0.186 5.432) 6.594 2.742 ( -4.079 0.425 0.906) 4.201 2.811 ( -1.736 2.136 -5.419) 6.078 2.894 ( -2.226 -2.892 -7.059) 7.946 3.133 ( 0.095 1.024 0.285) 1.067 3.226 ( 1.879 -3.719 1.014) 4.288 3.262 ( 6.119 3.725 4.599) 8.512 3.396 ( 4.221 -1.243 -0.957) 4.503 3.485 ( 0.115 -1.360 2.510) 2.858 3.510 ( 1.161 0.514 -2.398) 2.714 3.607 ( -1.375 1.922 -0.084) 2.365 3.694 ( 2.104 -1.826 -0.733) 2.881 4.373 ( 36.362 -1.130 1.051) 36.395 4.393 ( 35.725 -0.582 -1.054) 35.745 4.988 ( -4.860 0.853 0.352) 4.947 5.003 ( -5.436 0.400 -0.490) 5.473 5.633 ( -24.134 0.566 0.009) 24.141 5.644 ( -22.958 0.031 -0.292) 22.960 5.681 ( 1.697 -0.027 0.517) 1.775 5.687 ( 0.651 -0.020 -0.131) 0.664 5.816 ( 1.583 1.913 0.369) 2.510 5.883 ( 1.547 -1.389 -0.370) 2.112 7.523 ( 1.173 -0.041 0.193) 1.189 7.527 ( 1.162 -0.030 -0.212) 1.182 7.602 ( 0.479 -0.018 0.989) 1.099 7.622 ( 0.560 -0.007 -0.919) 1.076 8.124 ( -2.046 0.136 0.363) 2.082 8.137 ( -2.078 -0.154 -0.362) 2.115 9.216 ( 2.931 0.569 0.012) 2.985 9.239 ( 2.993 -0.633 -0.040) 3.060 12.245 ( -0.019 0.009 0.520) 0.520 12.257 ( 0.393 -0.045 -0.488) 0.628 14.134 ( -0.448 -0.119 0.504) 0.684 14.191 ( -0.545 -2.770 -0.004) 2.823 14.243 ( 0.158 1.607 1.279) 2.060 14.297 ( 0.009 0.583 -3.008) 3.064 14.603 ( 0.736 4.669 2.487) 5.341 14.776 ( -0.499 -3.010 -1.506) 3.403 ======================= Grid point 174 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 9.336 -0.658 3.630) 10.038 1.325 ( 8.648 -1.321 -0.296) 8.753 1.533 ( 13.639 0.056 0.490) 13.648 1.555 ( 12.169 -0.158 -4.061) 12.830 2.045 ( 5.195 1.273 5.624) 7.761 2.129 ( 4.127 -2.638 -5.748) 7.552 2.425 ( -0.262 0.878 3.434) 3.554 2.451 ( -0.305 1.145 -2.332) 2.616 2.525 ( -12.594 0.556 3.374) 13.050 2.548 ( -11.001 -1.167 1.183) 11.125 2.734 ( 1.091 1.295 -3.789) 4.150 2.775 ( 1.767 -3.778 -2.076) 4.659 2.958 ( -6.449 1.016 5.307) 8.413 3.007 ( -5.401 0.479 -5.556) 7.763 3.081 ( 3.572 1.984 0.566) 4.124 3.122 ( 5.331 -2.765 0.251) 6.011 3.159 ( 10.971 1.840 3.846) 11.770 3.214 ( 15.465 -0.215 -4.065) 15.992 3.459 ( 1.904 0.819 0.599) 2.158 3.494 ( 0.788 -3.258 1.289) 3.591 3.605 ( 5.395 -0.066 0.728) 5.445 3.624 ( 3.148 -1.224 -1.507) 3.699 3.814 ( 14.664 3.605 0.052) 15.101 3.866 ( 11.911 -2.521 0.276) 12.178 5.109 ( -6.518 0.716 0.684) 6.592 5.120 ( -6.608 0.152 -0.831) 6.662 5.605 ( 5.035 -0.042 0.289) 5.043 5.607 ( 5.051 -0.014 -0.023) 5.051 5.770 ( 3.935 2.452 -0.109) 4.638 5.805 ( 3.666 -1.994 0.055) 4.173 6.057 ( -17.863 0.720 0.097) 17.878 6.066 ( -17.929 -0.249 -0.155) 17.931 7.495 ( 1.763 0.209 0.014) 1.776 7.499 ( 1.557 -0.333 0.018) 1.592 7.593 ( 0.917 -0.003 1.073) 1.412 7.603 ( 0.973 0.012 -1.018) 1.408 8.186 ( -4.320 0.124 0.482) 4.348 8.193 ( -4.270 -0.143 -0.508) 4.302 9.141 ( 5.476 0.608 -0.025) 5.510 9.153 ( 5.499 -0.819 -0.012) 5.560 12.248 ( -0.143 -0.021 0.141) 0.201 12.249 ( 0.124 -0.011 -0.123) 0.175 14.142 ( 0.294 0.556 1.485) 1.612 14.173 ( 0.354 -1.337 -1.579) 2.099 14.258 ( 0.007 0.781 1.768) 1.932 14.285 ( 0.084 -0.211 -2.384) 2.395 14.636 ( 1.459 5.857 2.470) 6.522 14.742 ( 0.480 -4.634 -2.244) 5.171 ======================= Grid point 175 (75/171) ======================= q-point: ( 0.50 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 12.336 -0.051 0.000) 12.336 1.139 ( 12.336 0.051 0.000) 12.336 1.331 ( 6.599 -0.003 0.000) 6.599 1.331 ( 6.599 0.003 0.000) 6.599 1.927 ( 12.418 -0.555 0.000) 12.431 1.927 ( 12.418 0.555 0.000) 12.431 2.219 ( 29.531 -0.936 0.000) 29.546 2.219 ( 29.531 0.936 0.000) 29.546 2.572 ( 11.268 -2.018 0.000) 11.447 2.572 ( 11.268 2.018 0.000) 11.447 2.804 ( -9.408 -2.778 0.000) 9.810 2.804 ( -9.408 2.778 0.000) 9.810 2.847 ( -4.230 -0.337 0.000) 4.244 2.847 ( -4.230 0.337 0.000) 4.244 3.004 ( 4.712 -0.022 0.000) 4.712 3.004 ( 4.712 0.022 0.000) 4.712 3.291 ( -11.291 -0.726 0.000) 11.314 3.291 ( -11.291 0.726 0.000) 11.314 3.430 ( 2.189 -1.793 0.000) 2.830 3.430 ( 2.189 1.793 0.000) 2.830 3.608 ( -3.613 -2.307 0.000) 4.287 3.608 ( -3.613 2.307 0.000) 4.287 3.802 ( -2.558 -2.105 0.000) 3.313 3.802 ( -2.558 2.105 0.000) 3.313 5.233 ( -5.638 -0.133 -0.000) 5.640 5.233 ( -5.638 0.133 -0.000) 5.640 5.502 ( 5.676 -0.212 0.000) 5.680 5.502 ( 5.676 0.212 0.000) 5.680 5.700 ( 5.519 -1.847 0.000) 5.820 5.700 ( 5.519 1.847 0.000) 5.820 6.325 ( -10.140 -0.859 -0.000) 10.176 6.325 ( -10.140 0.859 -0.000) 10.176 7.467 ( 1.359 -0.517 0.000) 1.455 7.467 ( 1.359 0.517 0.000) 1.455 7.578 ( 1.143 -0.109 0.000) 1.148 7.578 ( 1.143 0.109 0.000) 1.148 8.290 ( -6.284 -0.028 -0.000) 6.284 8.290 ( -6.284 0.028 -0.000) 6.284 9.028 ( 6.909 -0.258 0.000) 6.914 9.028 ( 6.909 0.258 0.000) 6.914 12.251 ( -0.234 -0.034 0.000) 0.236 12.251 ( -0.234 0.034 0.000) 0.236 14.141 ( 1.510 -0.238 0.000) 1.528 14.141 ( 1.510 0.238 0.000) 1.528 14.269 ( 0.222 -0.492 0.000) 0.539 14.269 ( 0.222 0.492 0.000) 0.539 14.653 ( 3.414 -4.645 0.000) 5.764 14.653 ( 3.414 4.645 0.000) 5.764 ======================= Grid point 183 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -7.010 0.487 0.304) 7.034 1.561 ( -9.800 0.790 1.820) 9.999 1.689 ( -6.728 -1.896 -0.716) 7.026 1.766 ( -5.253 -3.156 0.550) 6.153 2.104 ( -2.647 3.115 2.286) 4.684 2.158 ( 8.350 3.213 -2.048) 9.178 2.239 ( 5.514 2.517 -1.759) 6.311 2.325 ( -0.186 -0.443 -0.712) 0.859 2.371 ( 7.293 1.112 0.085) 7.377 2.432 ( 6.160 0.570 -5.274) 8.130 2.678 ( 3.424 -3.098 5.022) 6.822 2.758 ( 2.250 -3.477 -1.805) 4.518 2.880 ( 3.603 -0.357 5.173) 6.314 2.969 ( 1.534 -1.423 -3.976) 4.493 3.119 ( 2.454 0.764 1.824) 3.152 3.254 ( -1.104 -0.972 2.709) 3.082 3.307 ( -2.067 4.333 1.587) 5.056 3.398 ( -1.545 3.532 -3.723) 5.360 3.418 ( -4.101 2.010 -2.250) 5.092 3.505 ( -1.001 -2.863 1.329) 3.311 3.597 ( -1.298 -1.759 -0.386) 2.220 3.716 ( -3.178 -0.655 -0.223) 3.253 4.424 ( -33.930 1.952 0.091) 33.986 4.429 ( -35.223 1.315 -0.178) 35.248 4.961 ( 4.119 -0.287 0.135) 4.131 4.992 ( 5.123 -0.749 0.013) 5.178 5.610 ( 24.578 -0.820 0.107) 24.592 5.621 ( 22.124 -1.043 -0.509) 22.155 5.678 ( -2.978 -0.062 0.203) 2.986 5.685 ( -1.278 -0.094 -0.034) 1.282 5.809 ( -0.443 0.246 1.736) 1.808 5.884 ( -1.737 -0.441 -1.414) 2.283 7.527 ( -0.804 0.267 0.082) 0.851 7.533 ( -1.053 0.059 0.077) 1.057 7.592 ( -0.623 0.470 -0.257) 0.821 7.628 ( -0.591 -0.510 0.103) 0.787 8.122 ( 2.113 0.254 0.057) 2.129 8.141 ( 2.123 -0.201 -0.041) 2.133 9.218 ( -2.440 0.109 0.594) 2.514 9.242 ( -3.081 -0.037 -0.548) 3.130 12.245 ( 0.251 0.449 0.015) 0.515 12.261 ( -0.438 -0.059 -0.057) 0.446 14.125 ( -0.858 -2.542 0.445) 2.720 14.200 ( -1.667 -0.565 0.937) 1.994 14.222 ( 0.066 -1.615 0.419) 1.670 14.291 ( 0.655 1.038 -2.511) 2.795 14.551 ( -0.232 3.708 1.027) 3.855 14.813 ( 0.650 -1.741 -0.157) 1.865 ======================= Grid point 184 (77/171) ======================= q-point: ( 0.30 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.557 2.778 -0.467) 2.872 1.654 ( 4.929 0.468 1.675) 5.227 1.771 ( -6.721 -2.543 0.586) 7.210 1.809 ( -1.987 -3.592 -1.969) 4.552 2.090 ( 1.792 1.716 1.511) 2.904 2.145 ( 3.918 -0.089 -1.087) 4.067 2.181 ( -0.820 3.069 0.536) 3.222 2.255 ( 2.356 -0.771 -0.399) 2.511 2.284 ( -0.940 1.341 2.351) 2.866 2.406 ( -3.328 -0.774 -4.278) 5.475 2.669 ( -1.981 -0.505 3.947) 4.445 2.725 ( -1.355 -0.745 -2.485) 2.927 2.831 ( 4.114 -0.405 4.875) 6.391 2.898 ( 1.916 -1.718 -5.873) 6.413 3.110 ( -0.485 1.063 0.427) 1.244 3.256 ( -1.048 -3.866 0.899) 4.105 3.341 ( 3.202 4.571 1.428) 5.761 3.444 ( 0.115 -0.004 0.414) 0.429 3.468 ( -1.525 4.079 -2.381) 4.963 3.502 ( -0.195 -1.013 0.710) 1.252 3.599 ( -0.102 -1.358 -0.041) 1.362 3.732 ( 0.088 -2.350 -0.236) 2.364 4.924 ( 1.395 0.345 0.131) 1.443 4.931 ( -0.822 0.569 0.002) 1.000 4.989 ( 6.440 -0.063 0.057) 6.440 4.989 ( 2.512 -0.023 -0.041) 2.513 5.146 ( -4.610 0.368 0.360) 4.639 5.170 ( -4.800 -0.725 -0.630) 4.895 5.707 ( -0.013 0.030 0.295) 0.297 5.711 ( -0.104 -0.084 -0.155) 0.205 5.826 ( 0.403 1.332 0.548) 1.496 5.901 ( -0.713 -1.289 -0.546) 1.570 7.536 ( 0.114 0.137 0.076) 0.194 7.540 ( 0.269 -0.020 -0.046) 0.273 7.605 ( -0.329 0.373 0.152) 0.519 7.628 ( 0.143 -0.420 -0.172) 0.476 8.105 ( 0.022 0.246 0.105) 0.269 8.119 ( 0.018 -0.242 -0.098) 0.262 9.243 ( 0.255 0.456 0.169) 0.549 9.270 ( -0.200 -0.460 -0.164) 0.528 12.246 ( 0.094 0.390 0.192) 0.445 12.262 ( 0.164 -0.210 -0.189) 0.327 14.127 ( -0.812 -1.226 0.118) 1.476 14.208 ( -0.689 -3.763 0.562) 3.867 14.231 ( -0.525 1.701 0.616) 1.884 14.281 ( 0.353 1.169 -1.806) 2.180 14.585 ( 0.429 4.436 0.866) 4.540 14.789 ( 0.032 -2.442 -0.363) 2.469 ======================= Grid point 185 (78/171) ======================= q-point: ( 0.40 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 10.397 0.183 0.000) 10.399 1.504 ( 9.572 -0.167 0.000) 9.574 1.741 ( 8.271 1.374 0.000) 8.384 1.770 ( 8.849 -0.121 0.000) 8.850 2.071 ( -1.159 1.235 0.000) 1.694 2.148 ( -4.105 -3.996 -0.000) 5.729 2.281 ( -8.380 -0.165 -0.000) 8.382 2.291 ( -6.604 -0.823 -0.000) 6.655 2.403 ( -5.961 2.703 0.000) 6.545 2.470 ( -4.680 -1.258 -0.000) 4.846 2.757 ( 2.782 1.697 0.000) 3.258 2.774 ( -4.410 0.511 -0.000) 4.440 2.783 ( -6.932 0.676 -0.000) 6.965 2.847 ( -1.417 -3.366 -0.000) 3.652 3.134 ( 0.499 1.484 0.000) 1.566 3.231 ( 1.521 -4.096 -0.000) 4.369 3.285 ( 6.236 4.691 0.000) 7.804 3.390 ( 4.264 -2.109 -0.000) 4.758 3.492 ( 1.345 0.601 0.000) 1.473 3.503 ( -0.813 -1.543 -0.000) 1.744 3.607 ( -1.224 2.227 0.000) 2.541 3.690 ( 2.166 -2.069 -0.000) 2.996 4.383 ( 35.375 -0.788 0.000) 35.384 4.383 ( 36.725 -0.933 0.000) 36.737 4.990 ( -4.958 0.981 -0.000) 5.054 5.001 ( -5.312 0.278 -0.000) 5.319 5.633 ( -23.934 0.589 -0.000) 23.941 5.642 ( -23.244 -0.034 -0.000) 23.244 5.684 ( 0.823 0.016 0.000) 0.823 5.685 ( 1.602 -0.054 0.000) 1.603 5.818 ( 1.867 2.275 0.000) 2.943 5.882 ( 1.232 -1.698 -0.000) 2.098 7.524 ( 1.335 0.017 0.000) 1.335 7.526 ( 1.004 -0.076 0.000) 1.006 7.609 ( 0.252 0.184 0.000) 0.312 7.616 ( 0.771 -0.216 0.000) 0.801 8.126 ( -2.067 0.269 -0.000) 2.084 8.135 ( -2.049 -0.285 -0.000) 2.069 9.216 ( 3.031 0.645 0.000) 3.099 9.239 ( 2.903 -0.709 0.000) 2.988 12.248 ( 0.022 0.175 0.000) 0.177 12.254 ( 0.347 -0.214 -0.000) 0.408 14.137 ( -0.599 0.069 -0.000) 0.603 14.191 ( -0.043 -2.567 -0.000) 2.568 14.253 ( -0.329 1.069 0.000) 1.119 14.279 ( 0.160 0.654 0.000) 0.673 14.614 ( 0.716 5.319 0.000) 5.367 14.769 ( -0.411 -3.595 -0.000) 3.619 ======================= Grid point 194 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -14.404 7.534 -0.846) 16.278 1.349 ( -8.272 3.170 -0.361) 8.866 1.583 ( -5.733 -1.287 0.355) 5.887 1.716 ( -2.480 -1.647 1.600) 3.380 1.975 ( -7.143 4.804 0.027) 8.609 2.216 ( -7.728 -1.657 -1.646) 8.073 2.324 ( 8.112 1.263 1.333) 8.318 2.347 ( 7.087 1.125 -2.920) 7.747 2.505 ( 7.363 0.643 1.802) 7.608 2.562 ( 7.538 0.145 -1.601) 7.708 2.786 ( -4.057 -3.440 1.448) 5.513 2.839 ( 5.248 -4.511 -1.230) 7.029 2.948 ( 2.843 -0.603 0.607) 2.969 2.997 ( -0.472 0.349 -0.174) 0.612 3.143 ( -13.393 3.615 3.547) 14.319 3.185 ( -10.499 -0.015 -1.628) 10.624 3.194 ( -1.425 3.129 2.326) 4.151 3.292 ( 0.794 2.703 1.541) 3.211 3.360 ( 1.014 1.638 -4.940) 5.302 3.450 ( -7.964 -3.202 0.241) 8.587 3.592 ( -1.209 -3.587 0.029) 3.785 3.661 ( -0.473 -0.020 0.007) 0.473 3.829 ( -21.575 2.831 -0.151) 21.761 3.899 ( -15.126 2.993 -0.059) 15.419 5.067 ( 6.215 -0.706 -0.004) 6.255 5.118 ( 6.809 -1.279 0.126) 6.929 5.592 ( -5.936 -0.405 -0.039) 5.950 5.605 ( -4.973 0.194 0.013) 4.977 5.753 ( -4.313 -1.359 2.586) 5.209 5.777 ( -3.552 -0.711 -2.714) 4.526 6.043 ( 18.003 -0.323 0.121) 18.007 6.064 ( 17.111 -0.513 0.062) 17.119 7.500 ( -2.036 0.216 0.186) 2.056 7.506 ( -1.284 0.347 -0.144) 1.337 7.575 ( -0.729 0.417 -0.145) 0.852 7.615 ( -1.157 -0.466 0.085) 1.250 8.181 ( 4.464 0.341 -0.018) 4.477 8.203 ( 4.322 -0.223 0.036) 4.328 9.151 ( -5.207 0.251 0.738) 5.265 9.159 ( -4.889 0.249 -0.716) 4.948 12.248 ( -0.811 -0.005 -0.011) 0.811 12.249 ( 0.441 0.200 -0.037) 0.486 14.134 ( -1.066 -3.290 0.759) 3.541 14.163 ( -1.619 1.371 -0.688) 2.230 14.254 ( -0.030 -4.603 1.762) 4.929 14.291 ( 1.369 1.268 -1.962) 2.708 14.508 ( -1.675 3.699 0.197) 4.065 14.839 ( 0.371 -1.780 0.203) 1.829 ======================= Grid point 195 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -6.836 0.759 -0.000) 6.878 1.569 ( -10.763 1.136 -0.000) 10.822 1.686 ( -6.505 -2.005 -0.000) 6.807 1.769 ( -4.693 -3.833 -0.000) 6.059 2.115 ( -2.074 3.445 0.000) 4.021 2.149 ( 7.602 3.686 0.000) 8.449 2.230 ( 5.760 2.713 0.000) 6.367 2.320 ( -3.163 -1.638 -0.000) 3.562 2.375 ( 7.812 2.510 0.000) 8.206 2.404 ( 8.295 -0.366 0.000) 8.303 2.710 ( 3.631 -3.068 -0.000) 4.754 2.741 ( 1.958 -3.948 -0.000) 4.406 2.917 ( 1.104 -0.834 -0.000) 1.384 2.937 ( 4.089 -0.924 0.000) 4.192 3.129 ( 3.603 1.603 0.000) 3.944 3.270 ( -0.739 -2.830 -0.000) 2.925 3.315 ( -2.204 4.262 0.000) 4.798 3.373 ( -2.825 6.907 0.000) 7.463 3.411 ( -3.773 0.625 -0.000) 3.825 3.511 ( -1.162 -3.113 -0.000) 3.322 3.596 ( -1.448 -2.041 -0.000) 2.503 3.715 ( -3.139 -0.630 -0.000) 3.202 4.425 ( -33.831 2.098 -0.000) 33.896 4.428 ( -35.326 1.161 -0.000) 35.345 4.962 ( 4.127 -0.205 0.000) 4.132 4.992 ( 5.132 -0.837 0.000) 5.200 5.610 ( 24.542 -0.779 0.000) 24.555 5.618 ( 21.947 -1.138 0.000) 21.977 5.679 ( -3.258 -0.067 -0.000) 3.258 5.685 ( -0.931 -0.061 -0.000) 0.933 5.817 ( -0.067 0.756 0.000) 0.759 5.876 ( -1.949 -0.898 -0.000) 2.146 7.528 ( -0.751 0.289 -0.000) 0.804 7.533 ( -1.095 0.057 -0.000) 1.096 7.591 ( -0.663 0.497 0.000) 0.829 7.628 ( -0.562 -0.548 -0.000) 0.786 8.122 ( 2.105 0.303 0.000) 2.127 8.140 ( 2.133 -0.248 0.000) 2.148 9.221 ( -2.263 0.245 -0.000) 2.276 9.239 ( -3.251 -0.170 -0.000) 3.255 12.245 ( 0.225 0.509 0.000) 0.557 12.261 ( -0.427 -0.119 -0.000) 0.443 14.127 ( -0.797 -2.651 -0.000) 2.768 14.202 ( -1.096 2.002 0.000) 2.283 14.228 ( -0.896 -5.070 -0.000) 5.148 14.278 ( 0.983 1.823 0.000) 2.071 14.556 ( -0.219 4.100 0.000) 4.106 14.812 ( 0.688 -1.933 -0.000) 2.052 ======================= Grid point 204 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -15.218 11.896 0.000) 19.316 1.108 ( -12.477 9.680 0.000) 15.791 1.462 ( -6.960 3.660 0.000) 7.863 1.730 ( 2.580 -1.854 -0.000) 3.177 1.779 ( -9.078 6.151 0.000) 10.966 2.013 ( -15.300 1.234 -0.000) 15.349 2.329 ( -34.260 8.191 -0.000) 35.226 2.438 ( -31.802 1.471 -0.000) 31.837 2.448 ( 3.964 -0.253 0.000) 3.972 2.469 ( 5.753 -0.452 0.000) 5.771 2.693 ( -3.641 1.320 -0.000) 3.873 2.728 ( 8.365 -2.020 0.000) 8.606 2.877 ( -5.274 0.653 -0.000) 5.314 3.026 ( -4.049 -2.765 -0.000) 4.903 3.033 ( 0.295 -2.882 -0.000) 2.897 3.046 ( 10.669 -6.194 -0.000) 12.337 3.307 ( 1.080 0.986 0.000) 1.462 3.337 ( 8.006 0.736 0.000) 8.040 3.373 ( 2.681 1.082 0.000) 2.891 3.422 ( 2.976 -0.053 0.000) 2.977 3.534 ( -4.673 -2.112 -0.000) 5.128 3.674 ( -1.776 -2.805 -0.000) 3.320 3.738 ( 9.621 5.260 0.000) 10.965 3.768 ( 0.687 3.079 0.000) 3.155 5.187 ( 5.497 -1.131 0.000) 5.612 5.247 ( 5.427 -1.354 0.000) 5.594 5.474 ( -6.817 -1.110 -0.000) 6.907 5.499 ( -5.603 0.390 -0.000) 5.616 5.637 ( -8.362 -1.080 -0.000) 8.432 5.724 ( -2.725 -0.848 -0.000) 2.854 6.317 ( 10.886 -0.461 0.000) 10.896 6.326 ( 10.024 -0.861 0.000) 10.061 7.458 ( -2.129 0.290 -0.000) 2.149 7.479 ( -1.285 0.298 -0.000) 1.319 7.558 ( -0.681 0.319 0.000) 0.752 7.594 ( -1.300 -0.180 -0.000) 1.313 8.284 ( 6.700 0.327 0.000) 6.708 8.303 ( 6.054 -0.159 0.000) 6.056 9.029 ( -6.914 1.000 -0.000) 6.986 9.054 ( -6.167 0.181 -0.000) 6.169 12.232 ( -0.775 -0.055 -0.000) 0.777 12.261 ( 0.770 -0.294 0.000) 0.824 14.116 ( -1.782 1.525 0.000) 2.345 14.143 ( -1.262 -3.817 -0.000) 4.020 14.301 ( 1.765 2.466 0.000) 3.032 14.309 ( 0.739 -6.373 -0.000) 6.416 14.432 ( -3.360 3.744 0.000) 5.030 14.845 ( -2.090 -2.575 -0.000) 3.316 ======================= Grid point 214 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 18.482 0.000) 18.482 0.751 ( 0.000 22.083 0.000) 22.083 1.083 ( 0.000 31.424 0.000) 31.424 1.234 ( 0.000 13.818 0.000) 13.818 1.431 ( 0.000 15.465 0.000) 15.465 1.632 ( 0.000 1.791 0.000) 1.791 1.804 ( 0.000 2.397 0.000) 2.397 1.840 ( -0.000 -8.371 -0.000) 8.371 2.568 ( 0.000 1.243 0.000) 1.243 2.629 ( 0.000 1.326 0.000) 1.326 2.713 ( -0.000 -4.565 -0.000) 4.565 2.733 ( -0.000 -2.321 -0.000) 2.321 2.810 ( -0.000 -3.066 -0.000) 3.066 2.946 ( -0.000 -1.182 -0.000) 1.182 3.043 ( -0.000 -4.740 -0.000) 4.740 3.302 ( 0.000 0.456 0.000) 0.456 3.336 ( -0.000 -7.985 -0.000) 7.985 3.425 ( -0.000 -2.669 -0.000) 2.669 3.502 ( 0.000 0.519 0.000) 0.519 3.519 ( -0.000 -1.048 -0.000) 1.048 3.551 ( 0.000 1.475 0.000) 1.475 3.625 ( -0.000 -0.293 -0.000) 0.293 3.836 ( 0.000 3.145 0.000) 3.145 4.206 ( -0.000 -3.341 -0.000) 3.341 5.297 ( -0.000 -2.908 -0.000) 2.908 5.309 ( -0.000 -1.280 -0.000) 1.280 5.324 ( -0.000 -1.614 -0.000) 1.614 5.331 ( -0.000 -4.184 -0.000) 4.184 5.469 ( 0.000 2.191 0.000) 2.191 5.660 ( -0.000 -1.330 -0.000) 1.330 6.446 ( 0.000 1.488 0.000) 1.488 6.503 ( -0.000 -0.241 -0.000) 0.241 7.411 ( 0.000 0.292 0.000) 0.292 7.440 ( -0.000 -0.254 -0.000) 0.254 7.543 ( 0.000 0.276 0.000) 0.276 7.577 ( -0.000 -0.297 -0.000) 0.297 8.490 ( 0.000 0.206 0.000) 0.206 8.495 ( 0.000 0.139 0.000) 0.139 8.838 ( 0.000 1.768 0.000) 1.768 8.864 ( 0.000 0.426 0.000) 0.426 12.219 ( -0.000 -0.090 -0.000) 0.090 12.280 ( -0.000 -0.930 -0.000) 0.930 14.039 ( -0.000 -0.713 -0.000) 0.713 14.112 ( -0.000 -3.656 -0.000) 3.656 14.334 ( 0.000 4.347 0.000) 4.347 14.342 ( 0.000 3.062 0.000) 3.062 14.499 ( -0.000 -0.597 -0.000) 0.597 14.507 ( 0.000 0.053 0.000) 0.053 ======================= Grid point 215 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -11.839 15.694 3.112) 19.904 1.037 ( -8.391 19.413 1.547) 21.205 1.420 ( -4.259 11.940 -0.946) 12.712 1.617 ( -26.438 15.750 -0.821) 30.785 1.681 ( -9.070 9.573 -0.307) 13.191 1.747 ( -0.103 -5.746 -0.774) 5.799 1.829 ( -25.135 3.224 1.841) 25.408 1.930 ( -11.324 4.024 0.930) 12.054 2.517 ( 4.287 -0.746 -6.090) 7.485 2.567 ( 4.292 -0.183 4.682) 6.354 2.675 ( -0.541 -3.558 -2.145) 4.189 2.782 ( -2.995 -7.555 2.032) 8.377 2.808 ( 0.082 1.511 0.438) 1.575 2.954 ( -1.884 -1.340 -0.209) 2.321 2.995 ( -0.428 -3.269 -1.398) 3.581 3.181 ( 7.868 -6.722 -1.045) 10.401 3.318 ( -0.357 0.709 -1.179) 1.422 3.418 ( 1.380 -1.075 -0.200) 1.761 3.432 ( 4.700 0.835 0.775) 4.836 3.481 ( 2.504 -0.328 1.179) 2.787 3.554 ( 2.669 -0.197 0.237) 2.687 3.622 ( -0.572 -1.555 2.097) 2.672 3.832 ( 2.476 2.105 0.272) 3.261 4.005 ( 13.704 0.939 -1.282) 13.796 5.258 ( 2.802 -1.363 0.055) 3.116 5.304 ( 1.581 -1.624 0.047) 2.267 5.342 ( -5.246 -2.091 -0.063) 5.647 5.384 ( -6.485 -3.285 -0.320) 7.277 5.506 ( -3.698 1.925 0.085) 4.170 5.668 ( -2.085 -1.426 -0.083) 2.527 6.438 ( 3.078 -0.045 -0.305) 3.094 6.459 ( 4.695 -0.360 0.312) 4.719 7.427 ( -1.320 0.319 0.064) 1.359 7.453 ( -1.376 -0.246 0.024) 1.398 7.550 ( -0.440 0.323 0.016) 0.546 7.577 ( -0.439 -0.112 -0.081) 0.460 8.418 ( 6.765 0.252 -0.025) 6.770 8.422 ( 6.150 0.158 0.015) 6.152 8.916 ( -5.799 1.514 0.116) 5.994 8.937 ( -6.061 0.372 0.100) 6.074 12.222 ( -0.334 -0.006 0.135) 0.361 12.268 ( 0.395 -0.834 -0.094) 0.928 14.064 ( -2.889 -1.857 -0.162) 3.438 14.091 ( -0.954 -3.733 -0.439) 3.878 14.336 ( 4.862 0.719 -1.228) 5.065 14.354 ( 2.182 1.695 1.610) 3.198 14.404 ( -2.837 4.727 -0.106) 5.514 14.711 ( -9.279 -3.243 -0.596) 9.847 ======================= Grid point 216 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -11.392 11.690 2.470) 16.509 1.291 ( -4.208 11.709 2.334) 12.659 1.525 ( -1.063 4.842 -1.554) 5.195 1.672 ( -0.222 -2.957 -2.740) 4.038 1.873 ( -7.512 4.908 -0.150) 8.974 2.043 ( -10.965 0.442 4.174) 11.741 2.406 ( -0.459 1.599 -4.897) 5.172 2.435 ( -23.017 4.277 -3.029) 23.607 2.475 ( -10.792 -0.483 2.061) 10.998 2.505 ( -14.197 2.504 4.955) 15.244 2.677 ( -3.719 -3.645 -1.020) 5.307 2.695 ( 0.181 -0.949 0.266) 1.003 2.885 ( -6.483 -0.696 -0.147) 6.522 2.946 ( 5.718 -4.506 -0.423) 7.293 2.994 ( 1.178 -1.229 -0.668) 1.828 3.020 ( -1.903 0.161 2.846) 3.427 3.292 ( 1.896 -0.129 -3.583) 4.056 3.314 ( 6.078 1.194 -6.844) 9.231 3.393 ( 1.641 -0.756 -0.871) 2.006 3.436 ( 1.904 -0.024 4.413) 4.806 3.518 ( 0.332 -1.463 3.166) 3.503 3.642 ( -1.542 -2.861 3.040) 4.450 3.787 ( 4.454 2.606 -2.611) 5.783 3.822 ( 3.351 2.785 1.142) 4.505 5.174 ( 5.300 -0.554 0.019) 5.328 5.224 ( 5.318 -1.341 -0.110) 5.485 5.456 ( -7.656 -1.163 0.020) 7.744 5.492 ( -6.814 -1.277 -0.311) 6.939 5.619 ( -6.598 -0.315 -1.600) 6.797 5.716 ( -3.711 -0.848 1.816) 4.217 6.305 ( 10.522 -0.427 -0.773) 10.559 6.319 ( 10.473 -0.555 0.508) 10.500 7.462 ( -2.044 0.299 -0.145) 2.070 7.481 ( -1.611 -0.014 0.133) 1.616 7.564 ( -0.762 0.373 0.059) 0.851 7.590 ( -1.051 -0.283 -0.046) 1.090 8.289 ( 6.661 0.336 -0.010) 6.669 8.301 ( 6.234 -0.047 -0.031) 6.234 9.043 ( -6.220 0.842 -0.182) 6.279 9.059 ( -6.178 0.276 0.258) 6.189 12.233 ( -0.753 0.099 0.120) 0.769 12.256 ( 0.258 -0.339 0.010) 0.426 14.079 ( -1.393 -3.398 -0.858) 3.771 14.103 ( -3.010 -3.448 -0.270) 4.585 14.265 ( 2.725 1.249 0.167) 3.002 14.341 ( 1.772 1.453 1.362) 2.665 14.496 ( -2.812 4.614 -0.807) 5.463 14.794 ( -3.319 -3.374 -0.432) 4.753 ======================= Grid point 217 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -5.698 3.594 -1.085) 6.824 1.428 ( -5.049 5.262 1.221) 7.394 1.568 ( -3.797 -0.328 0.221) 3.817 1.667 ( -2.881 -1.899 -1.439) 3.738 2.030 ( -5.927 3.013 -2.029) 6.952 2.224 ( -6.675 -0.714 4.139) 7.886 2.340 ( 5.346 1.437 -0.590) 5.567 2.403 ( 5.198 1.613 4.244) 6.902 2.498 ( 5.261 1.349 -2.275) 5.889 2.592 ( 6.193 0.976 3.156) 7.019 2.717 ( 3.768 -3.824 0.404) 5.384 2.771 ( 2.333 -4.470 -0.170) 5.045 2.942 ( 3.667 -0.295 -0.383) 3.698 2.990 ( 0.881 -1.335 0.740) 1.762 3.103 ( -13.346 0.492 -5.511) 14.447 3.186 ( 0.781 1.415 -6.473) 6.672 3.259 ( -8.185 3.174 0.202) 8.781 3.317 ( -9.813 1.923 -1.218) 10.074 3.374 ( -3.944 -2.946 -1.581) 5.171 3.468 ( -1.052 2.210 7.661) 8.042 3.539 ( -3.046 -2.580 1.589) 4.297 3.656 ( -1.571 -1.248 0.744) 2.140 3.882 ( -18.492 3.221 -0.424) 18.776 3.936 ( -15.461 1.683 0.138) 15.553 5.059 ( 6.194 -0.268 -0.373) 6.211 5.100 ( 6.568 -0.879 0.191) 6.629 5.586 ( -6.337 -0.304 0.028) 6.344 5.601 ( -5.439 -0.468 -0.222) 5.463 5.706 ( -4.467 -1.341 -2.993) 5.541 5.798 ( -3.024 -0.230 3.506) 4.636 6.036 ( 17.386 -0.126 -0.524) 17.395 6.055 ( 17.115 -0.556 -0.164) 17.125 7.501 ( -1.883 0.164 -0.374) 1.927 7.512 ( -1.384 0.178 0.183) 1.407 7.584 ( -0.871 0.442 0.265) 1.012 7.607 ( -1.008 -0.465 -0.109) 1.115 8.185 ( 4.527 0.253 -0.125) 4.536 8.200 ( 4.346 -0.114 0.086) 4.348 9.147 ( -4.611 0.133 -0.831) 4.687 9.170 ( -5.001 0.230 0.752) 5.063 12.250 ( -0.763 0.137 0.091) 0.781 12.252 ( 0.128 0.159 0.053) 0.211 14.078 ( -1.508 -2.819 -0.813) 3.299 14.120 ( -2.460 -4.160 -1.191) 4.977 14.251 ( 1.044 2.609 1.031) 2.993 14.328 ( 1.227 0.706 2.306) 2.706 14.562 ( -1.226 4.184 -2.253) 4.908 14.801 ( -0.546 -2.815 0.442) 2.901 ======================= Grid point 218 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -7.726 -0.255 -1.828) 7.943 1.527 ( -4.785 -0.883 -4.707) 6.770 1.682 ( -6.781 -0.744 2.603) 7.302 1.745 ( -4.941 -0.520 1.734) 5.262 2.110 ( -2.545 1.544 -4.532) 5.422 2.223 ( 8.273 1.876 2.711) 8.905 2.291 ( 3.719 1.821 1.915) 4.562 2.337 ( 4.351 -0.467 3.407) 5.546 2.389 ( 7.672 1.461 0.662) 7.838 2.491 ( 5.040 0.288 2.792) 5.769 2.608 ( 1.860 -1.500 0.506) 2.443 2.727 ( -0.189 -1.902 0.938) 2.129 2.829 ( 4.509 -0.080 -5.884) 7.413 2.977 ( 0.596 -0.984 2.427) 2.686 3.092 ( 1.273 -0.586 -3.576) 3.841 3.218 ( -0.624 -1.386 -1.818) 2.370 3.342 ( -2.786 2.291 -3.341) 4.917 3.401 ( -3.982 -0.445 -1.486) 4.273 3.486 ( 0.638 0.638 0.847) 1.237 3.529 ( -1.553 4.094 4.590) 6.344 3.582 ( -1.710 -1.019 1.668) 2.597 3.692 ( -2.548 -2.503 0.348) 3.589 4.445 ( -33.766 1.018 -0.092) 33.782 4.453 ( -34.009 1.081 0.227) 34.027 4.955 ( 3.832 -0.157 -0.660) 3.892 4.986 ( 4.738 -0.157 0.465) 4.763 5.598 ( 24.953 -0.513 -0.013) 24.958 5.615 ( 22.021 -0.524 1.012) 22.051 5.674 ( -2.968 -0.140 -0.329) 2.990 5.682 ( -2.371 -0.226 -0.090) 2.384 5.784 ( -0.762 -0.298 -3.121) 3.226 5.900 ( -1.286 0.098 2.270) 2.611 7.529 ( -1.068 0.116 -0.230) 1.098 7.533 ( -0.676 0.061 -0.106) 0.687 7.602 ( -0.350 0.396 0.197) 0.564 7.620 ( -0.859 -0.399 0.089) 0.951 8.123 ( 2.193 0.085 -0.302) 2.215 8.140 ( 2.094 -0.055 0.266) 2.111 9.212 ( -2.668 -0.018 -0.872) 2.807 9.248 ( -2.744 0.042 0.778) 2.852 12.249 ( 0.354 0.166 -0.275) 0.478 12.264 ( -0.426 0.178 0.338) 0.573 14.087 ( -1.764 -1.552 -0.754) 2.467 14.125 ( -1.856 -3.219 -1.342) 3.951 14.260 ( 0.619 2.060 0.738) 2.274 14.331 ( 0.337 0.458 3.628) 3.672 14.588 ( -0.010 3.233 -3.932) 5.091 14.787 ( 0.210 -2.049 1.455) 2.522 ======================= Grid point 219 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -1.696 -0.545 -5.708) 5.979 1.636 ( -4.169 0.360 -0.057) 4.185 1.798 ( -2.917 0.354 5.496) 6.232 1.821 ( -2.958 -1.333 2.369) 4.017 2.059 ( 7.531 -0.184 -1.253) 7.637 2.147 ( 1.466 0.758 -5.389) 5.636 2.194 ( 3.337 1.086 -0.629) 3.566 2.229 ( 3.187 -0.694 -0.119) 3.264 2.291 ( 2.192 0.110 2.667) 3.454 2.472 ( -0.510 -0.046 -2.927) 2.971 2.647 ( -3.514 0.668 6.753) 7.642 2.721 ( 0.336 -0.235 -1.068) 1.144 2.801 ( -3.933 -0.049 0.297) 3.944 2.971 ( 0.793 -0.589 3.467) 3.605 3.079 ( -1.730 -0.638 -2.740) 3.302 3.206 ( -0.042 -0.847 -0.995) 1.307 3.322 ( 4.483 0.966 -4.273) 6.268 3.445 ( 0.247 0.885 -0.711) 1.162 3.461 ( 1.316 -0.526 -1.271) 1.904 3.584 ( 0.257 0.730 4.076) 4.149 3.605 ( -0.792 1.521 0.790) 1.888 3.698 ( -0.212 -2.375 0.436) 2.424 4.919 ( 1.502 0.069 -0.679) 1.650 4.939 ( -0.398 0.296 -0.026) 0.497 4.986 ( 12.928 -0.073 -0.045) 12.928 4.990 ( 1.672 0.006 0.028) 1.673 5.135 ( -11.181 -0.071 -0.418) 11.189 5.196 ( -4.391 0.242 1.789) 4.747 5.699 ( -0.002 -0.068 -0.425) 0.430 5.708 ( -0.056 -0.147 -0.330) 0.366 5.806 ( -1.395 -0.036 -1.880) 2.341 5.921 ( 0.560 0.032 1.872) 1.955 7.534 ( 0.353 0.016 -0.193) 0.402 7.541 ( -0.070 0.005 0.010) 0.071 7.600 ( 0.496 0.013 -0.474) 0.686 7.634 ( -0.452 -0.006 0.606) 0.756 8.101 ( 0.086 -0.005 -0.371) 0.381 8.122 ( -0.037 -0.003 0.333) 0.335 9.237 ( -0.345 0.019 -0.640) 0.727 9.275 ( 0.348 -0.029 0.612) 0.705 12.240 ( 0.373 -0.004 -0.540) 0.657 12.271 ( 0.119 0.110 0.522) 0.546 14.112 ( -1.402 0.073 -0.493) 1.488 14.130 ( -1.739 -2.198 -1.228) 3.060 14.263 ( 0.638 1.017 0.390) 1.262 14.351 ( 0.019 0.340 4.396) 4.410 14.583 ( 0.323 1.796 -5.117) 5.432 14.781 ( -0.123 -1.096 2.083) 2.357 ======================= Grid point 220 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 16.615 0.000 -0.607) 16.626 1.496 ( 7.331 0.000 -0.522) 7.350 1.775 ( 6.889 0.000 1.604) 7.074 1.823 ( 5.966 -0.000 4.148) 7.267 2.008 ( 5.190 0.000 -3.532) 6.278 2.108 ( -9.839 -0.000 -1.036) 9.894 2.223 ( -5.836 0.000 -4.767) 7.536 2.272 ( -7.839 -0.000 1.028) 7.906 2.381 ( -7.938 -0.000 -1.459) 8.071 2.441 ( 2.146 0.000 -4.888) 5.339 2.766 ( -5.256 -0.000 4.833) 7.140 2.777 ( -5.891 -0.000 6.710) 8.930 2.924 ( -8.283 -0.000 0.368) 8.292 2.966 ( 1.599 -0.000 5.576) 5.801 3.113 ( -2.735 0.000 -1.360) 3.054 3.163 ( 7.805 0.000 -7.716) 10.975 3.193 ( 3.174 0.000 0.225) 3.182 3.398 ( 5.263 0.000 -0.152) 5.265 3.405 ( 1.835 0.000 -4.422) 4.788 3.575 ( 2.568 -0.000 4.058) 4.802 3.638 ( -1.193 -0.000 0.835) 1.456 3.685 ( 0.792 0.000 -0.327) 0.857 4.346 ( 37.586 0.000 -0.704) 37.592 4.408 ( 34.855 0.000 0.750) 34.863 4.988 ( -4.666 -0.000 -0.273) 4.674 5.017 ( -5.998 -0.000 0.485) 6.018 5.638 ( -25.216 -0.000 0.032) 25.216 5.655 ( -19.772 -0.000 0.833) 19.790 5.670 ( 2.339 0.000 -0.499) 2.392 5.684 ( -2.308 -0.000 -0.417) 2.346 5.809 ( 0.118 0.000 -1.170) 1.176 5.891 ( 3.305 0.000 0.993) 3.451 7.519 ( 1.089 0.000 -0.147) 1.099 7.530 ( 1.315 0.000 0.143) 1.323 7.585 ( 0.698 0.000 -0.714) 0.998 7.637 ( 0.430 -0.000 0.621) 0.755 8.117 ( -1.994 -0.000 -0.352) 2.024 8.144 ( -2.176 -0.000 0.346) 2.204 9.218 ( 2.235 0.000 -0.247) 2.248 9.238 ( 3.693 0.000 0.289) 3.704 12.235 ( -0.190 0.000 -0.419) 0.460 12.266 ( 0.639 -0.000 0.374) 0.741 14.115 ( 0.286 0.000 -1.019) 1.058 14.162 ( -2.525 -0.000 -0.220) 2.534 14.255 ( 0.824 -0.000 0.311) 0.880 14.371 ( 0.196 -0.000 4.618) 4.622 14.559 ( 0.486 0.000 -5.546) 5.567 14.796 ( -0.879 -0.000 2.289) 2.452 ======================= Grid point 225 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 16.095 10.566) 19.253 0.765 ( 0.000 21.619 3.141) 21.846 1.090 ( 0.000 29.151 1.293) 29.180 1.246 ( 0.000 15.265 2.803) 15.520 1.407 ( -0.000 14.897 -4.969) 15.704 1.638 ( 0.000 1.944 1.509) 2.461 1.808 ( 0.000 0.784 0.200) 0.809 1.838 ( -0.000 -5.455 -0.041) 5.455 2.540 ( -0.000 0.444 -5.264) 5.282 2.599 ( -0.000 1.059 -5.460) 5.562 2.735 ( 0.000 -4.437 3.737) 5.801 2.757 ( 0.000 -1.666 4.628) 4.919 2.811 ( 0.000 -3.068 0.070) 3.069 2.944 ( -0.000 -0.893 -0.448) 0.999 3.023 ( -0.000 -5.063 -3.857) 6.365 3.270 ( -0.000 -3.073 -5.880) 6.635 3.351 ( 0.000 -4.183 2.165) 4.711 3.436 ( 0.000 -2.384 1.563) 2.851 3.487 ( -0.000 2.057 -1.767) 2.711 3.539 ( 0.000 -1.662 4.460) 4.759 3.579 ( 0.000 -0.140 4.498) 4.500 3.627 ( 0.000 -0.359 0.436) 0.565 3.843 ( 0.000 2.728 1.516) 3.121 4.181 ( -0.000 -2.493 -5.328) 5.882 5.297 ( -0.000 -2.941 -0.109) 2.943 5.308 ( -0.000 -1.537 -0.235) 1.555 5.327 ( 0.000 -1.628 0.436) 1.685 5.332 ( 0.000 -3.911 0.057) 3.911 5.469 ( 0.000 2.296 0.105) 2.298 5.654 ( -0.000 -1.200 -1.269) 1.747 6.448 ( 0.000 1.432 0.473) 1.508 6.504 ( 0.000 -0.246 0.088) 0.261 7.414 ( 0.000 0.130 0.508) 0.525 7.440 ( -0.000 -0.265 -0.022) 0.266 7.543 ( 0.000 0.274 0.075) 0.284 7.575 ( -0.000 -0.193 -0.460) 0.499 8.490 ( 0.000 0.203 0.019) 0.204 8.495 ( -0.000 0.139 -0.031) 0.142 8.839 ( 0.000 1.753 0.304) 1.779 8.866 ( 0.000 0.402 0.429) 0.588 12.221 ( 0.000 -0.109 0.345) 0.362 12.279 ( -0.000 -0.908 -0.329) 0.966 14.039 ( -0.000 -0.736 -0.052) 0.738 14.103 ( -0.000 -3.092 -1.809) 3.582 14.335 ( 0.000 4.371 0.142) 4.373 14.342 ( -0.000 3.108 -0.065) 3.109 14.499 ( -0.000 -0.595 -0.091) 0.602 14.505 ( -0.000 0.066 -0.475) 0.480 ======================= Grid point 226 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -10.731 13.677 7.974) 19.126 1.065 ( -8.669 18.782 4.514) 21.173 1.402 ( -3.816 11.839 -3.248) 12.856 1.599 ( -18.388 10.553 -3.204) 21.442 1.681 ( -17.189 10.084 0.437) 19.934 1.743 ( -4.322 -0.187 0.353) 4.340 1.852 ( -21.361 3.323 2.714) 21.787 1.944 ( -10.184 4.093 2.051) 11.165 2.463 ( 3.269 -1.269 -5.822) 6.796 2.589 ( 1.162 0.847 -0.641) 1.574 2.657 ( 1.736 -5.510 -0.430) 5.793 2.796 ( 1.025 -5.188 0.415) 5.304 2.825 ( -2.786 -0.219 3.507) 4.484 2.948 ( -1.229 -2.011 -1.599) 2.848 2.979 ( -2.269 -1.599 -1.324) 3.075 3.159 ( 5.602 -5.644 -4.005) 8.903 3.304 ( 2.730 -0.256 -1.330) 3.048 3.416 ( 3.079 -1.547 -0.369) 3.466 3.436 ( 4.787 2.081 0.237) 5.225 3.508 ( 2.747 -0.921 4.538) 5.384 3.558 ( 2.064 -1.181 0.675) 2.472 3.652 ( -1.273 -1.060 4.146) 4.464 3.837 ( 2.926 1.390 0.629) 3.300 3.983 ( 12.476 1.001 -3.388) 12.967 5.259 ( 2.785 -1.307 0.159) 3.081 5.304 ( 1.872 -1.491 0.045) 2.394 5.341 ( -5.310 -2.150 -0.119) 5.730 5.378 ( -6.511 -3.298 -0.803) 7.343 5.508 ( -3.444 1.607 0.308) 3.813 5.666 ( -2.712 -1.129 -0.295) 2.952 6.434 ( 3.610 0.064 -0.475) 3.641 6.463 ( 4.401 -0.394 0.496) 4.446 7.428 ( -1.203 0.221 0.156) 1.233 7.454 ( -1.417 -0.251 0.064) 1.440 7.550 ( -0.434 0.293 0.046) 0.526 7.576 ( -0.539 -0.075 -0.210) 0.583 8.418 ( 6.682 0.214 -0.063) 6.685 8.422 ( 6.251 0.198 0.036) 6.255 8.918 ( -5.740 1.470 0.336) 5.935 8.939 ( -5.944 0.387 0.198) 5.960 12.224 ( -0.297 -0.064 0.381) 0.487 12.266 ( 0.322 -0.771 -0.273) 0.879 14.062 ( -2.602 -1.981 -0.427) 3.298 14.083 ( -1.354 -3.416 -1.133) 3.845 14.328 ( 4.463 1.607 -0.620) 4.784 14.369 ( 2.321 1.179 1.466) 2.988 14.402 ( -2.651 4.341 -0.096) 5.088 14.701 ( -9.187 -2.646 -1.490) 9.676 ======================= Grid point 227 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -10.253 9.803 4.021) 14.745 1.321 ( -3.388 11.405 4.310) 12.655 1.502 ( -2.228 4.779 -3.553) 6.358 1.644 ( 0.025 -0.505 -3.297) 3.336 1.876 ( -7.069 3.452 0.924) 7.921 2.085 ( -10.743 0.673 4.661) 11.730 2.364 ( -3.224 2.315 -4.167) 5.754 2.407 ( -20.546 4.395 -3.280) 21.265 2.491 ( -13.364 -1.252 1.708) 13.530 2.549 ( -10.565 1.742 4.916) 11.782 2.659 ( -11.612 -2.784 -2.448) 12.190 2.706 ( 3.859 -0.764 1.930) 4.382 2.873 ( -2.514 -1.862 -2.663) 4.108 2.948 ( 1.932 -3.818 0.926) 4.378 2.989 ( 2.829 -1.308 -0.530) 3.161 3.052 ( -2.532 1.468 4.165) 5.090 3.239 ( 1.324 1.349 -7.214) 7.458 3.265 ( 8.109 -0.893 -4.564) 9.347 3.385 ( 2.359 -1.411 -0.860) 2.880 3.472 ( 0.761 0.096 3.647) 3.727 3.548 ( -0.130 -1.281 3.283) 3.527 3.675 ( 0.191 -2.481 3.509) 4.302 3.765 ( 3.972 2.229 -2.078) 5.007 3.829 ( 2.865 2.710 0.340) 3.958 5.174 ( 5.401 -0.653 0.041) 5.441 5.223 ( 5.357 -1.041 -0.207) 5.461 5.457 ( -7.742 -1.263 0.119) 7.846 5.488 ( -7.038 -1.428 -0.540) 7.202 5.603 ( -5.744 -0.876 -1.914) 6.117 5.735 ( -4.548 -0.228 2.240) 5.075 6.298 ( 10.411 -0.428 -0.814) 10.452 6.323 ( 10.707 -0.570 0.377) 10.729 7.461 ( -1.953 0.218 -0.196) 1.975 7.483 ( -1.638 0.019 0.173) 1.647 7.565 ( -0.867 0.267 0.101) 0.913 7.590 ( -1.019 -0.207 -0.078) 1.043 8.289 ( 6.652 0.270 -0.018) 6.657 8.301 ( 6.247 0.029 -0.047) 6.247 9.042 ( -5.888 0.722 -0.199) 5.935 9.062 ( -6.375 0.371 0.318) 6.393 12.235 ( -0.702 0.015 0.202) 0.731 12.256 ( 0.203 -0.245 0.008) 0.318 14.071 ( -1.486 -3.275 -0.959) 3.722 14.098 ( -2.743 -3.651 -0.938) 4.662 14.269 ( 2.551 1.888 0.790) 3.271 14.357 ( 1.509 1.352 1.921) 2.792 14.485 ( -2.584 3.928 -1.471) 4.927 14.788 ( -3.576 -2.778 -0.684) 4.580 ======================= Grid point 228 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.872 2.405 -0.481) 5.454 1.432 ( -3.204 3.423 -0.490) 4.714 1.572 ( -4.384 1.035 0.792) 4.574 1.656 ( -3.791 0.131 -0.942) 3.909 2.016 ( -5.119 1.755 -1.011) 5.505 2.258 ( -5.769 -0.201 3.120) 6.562 2.337 ( 3.237 0.729 -0.111) 3.320 2.445 ( 4.748 1.551 4.827) 6.946 2.482 ( 3.582 1.668 -1.057) 4.090 2.611 ( 5.603 1.183 0.925) 5.801 2.737 ( 7.928 -2.740 3.802) 9.210 2.764 ( 1.073 -3.855 -1.115) 4.155 2.930 ( 7.330 -0.260 -2.538) 7.761 2.998 ( -0.531 -1.039 0.982) 1.525 3.053 ( -9.381 0.799 -5.422) 10.865 3.147 ( -7.932 -0.259 -2.027) 8.191 3.230 ( -3.380 2.300 -5.845) 7.133 3.313 ( -8.117 -2.069 -1.190) 8.460 3.370 ( -9.414 0.966 1.406) 9.567 3.522 ( -2.439 0.416 3.919) 4.635 3.560 ( -1.230 -0.373 3.376) 3.612 3.664 ( 0.130 -0.537 1.117) 1.246 3.877 ( -20.002 2.818 -0.744) 20.214 3.938 ( -14.894 1.646 0.261) 14.987 5.055 ( 6.285 -0.568 -0.438) 6.326 5.102 ( 6.524 -0.476 0.208) 6.545 5.587 ( -6.270 -0.409 0.095) 6.284 5.599 ( -5.555 -0.528 -0.263) 5.586 5.681 ( -4.788 -1.595 -2.454) 5.611 5.828 ( -3.041 0.133 3.158) 4.386 6.030 ( 17.260 -0.254 -0.829) 17.282 6.053 ( 17.518 -0.540 -0.161) 17.527 7.498 ( -1.881 0.117 -0.339) 1.915 7.513 ( -1.311 0.187 0.104) 1.328 7.586 ( -1.031 0.317 0.367) 1.140 7.606 ( -0.929 -0.345 -0.177) 1.007 8.184 ( 4.561 0.145 -0.138) 4.566 8.201 ( 4.304 -0.001 0.090) 4.304 9.140 ( -4.487 0.094 -0.678) 4.539 9.176 ( -5.095 0.249 0.580) 5.134 12.251 ( -0.741 0.145 0.119) 0.764 12.253 ( 0.150 0.155 0.060) 0.224 14.070 ( -1.625 -3.064 -0.839) 3.569 14.108 ( -2.161 -3.578 -1.418) 4.414 14.262 ( 1.071 2.518 1.252) 3.009 14.353 ( 0.868 0.887 3.219) 3.450 14.537 ( -1.076 3.142 -3.292) 4.676 14.805 ( -0.738 -2.092 0.486) 2.271 ======================= Grid point 229 (93/171) ======================= q-point: ( 0.70 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -6.949 -0.782 -2.216) 7.336 1.485 ( -4.478 -1.395 -3.794) 6.032 1.708 ( -8.326 0.004 3.027) 8.859 1.758 ( -4.979 -0.002 1.217) 5.126 2.074 ( -1.529 0.652 -3.447) 3.827 2.252 ( 7.971 0.948 3.785) 8.875 2.304 ( 4.030 1.511 1.254) 4.483 2.359 ( 7.657 2.179 1.061) 8.031 2.410 ( 6.524 0.796 4.163) 7.780 2.477 ( 4.884 -1.060 -4.337) 6.617 2.655 ( 1.677 0.123 8.154) 8.325 2.729 ( -0.425 -1.517 -0.323) 1.608 2.771 ( 3.478 -0.258 -7.016) 7.835 2.990 ( 0.559 -0.393 0.505) 0.850 3.071 ( 0.483 -1.494 -1.139) 1.939 3.198 ( -1.063 -1.420 -2.504) 3.069 3.309 ( -3.401 0.773 -3.546) 4.974 3.387 ( -5.128 0.188 -1.527) 5.353 3.491 ( 1.385 1.364 0.315) 1.970 3.570 ( 0.226 3.397 4.219) 5.422 3.601 ( -1.697 -0.859 2.403) 3.065 3.693 ( -2.633 -2.143 -0.291) 3.408 4.445 ( -33.616 0.989 -0.054) 33.631 4.455 ( -34.149 1.089 0.179) 34.167 4.949 ( 3.705 -0.332 -0.552) 3.760 4.990 ( 4.846 0.049 0.357) 4.859 5.598 ( 25.490 -0.491 0.063) 25.494 5.625 ( 22.108 -0.389 1.185) 22.143 5.671 ( -2.921 -0.202 -0.258) 2.940 5.681 ( -2.099 -0.258 -0.262) 2.131 5.758 ( -1.651 -0.619 -2.616) 3.155 5.917 ( -1.499 0.301 1.617) 2.226 7.527 ( -1.219 0.068 -0.212) 1.239 7.532 ( -0.547 0.071 -0.112) 0.563 7.603 ( -0.096 0.215 0.188) 0.302 7.621 ( -1.098 -0.197 0.086) 1.119 8.121 ( 2.216 0.007 -0.240) 2.229 8.142 ( 2.070 0.020 0.204) 2.080 9.205 ( -2.713 -0.086 -0.658) 2.793 9.254 ( -2.729 0.100 0.564) 2.788 12.247 ( 0.498 0.086 -0.204) 0.544 12.267 ( -0.520 0.255 0.267) 0.638 14.081 ( -2.046 -1.956 -0.684) 2.912 14.114 ( -1.598 -2.517 -1.163) 3.200 14.267 ( 0.737 1.776 0.721) 2.053 14.368 ( 0.198 0.778 4.461) 4.532 14.549 ( -0.022 2.202 -4.718) 5.207 14.799 ( 0.149 -1.332 1.175) 1.783 ======================= Grid point 230 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -3.120 -0.738 -4.009) 5.133 1.637 ( -5.832 -0.014 0.183) 5.835 1.823 ( -1.349 0.163 0.664) 1.512 1.864 ( -3.874 -0.381 6.830) 7.861 2.055 ( 9.593 -0.416 0.109) 9.603 2.090 ( -1.187 0.244 -6.876) 6.982 2.193 ( 7.417 0.635 0.068) 7.444 2.232 ( 2.604 -0.255 0.586) 2.682 2.309 ( 4.329 0.479 1.297) 4.545 2.434 ( -0.238 -0.186 -4.544) 4.554 2.709 ( -2.022 1.897 3.936) 4.815 2.734 ( -2.955 -0.794 5.572) 6.357 2.796 ( -5.385 -0.452 -1.356) 5.571 2.989 ( -0.166 0.377 0.401) 0.575 3.062 ( -1.726 -1.660 -1.104) 2.637 3.190 ( 0.236 -0.475 -2.209) 2.272 3.292 ( 4.082 -0.061 -2.445) 4.758 3.432 ( 2.467 1.641 -1.650) 3.392 3.457 ( 0.533 -0.684 -0.038) 0.868 3.612 ( -0.811 2.442 1.297) 2.882 3.620 ( 0.409 -0.335 3.149) 3.193 3.697 ( -0.153 -2.142 -0.513) 2.208 4.914 ( 1.553 -0.022 -0.500) 1.631 4.938 ( -0.008 0.297 -0.068) 0.305 4.986 ( 13.509 -0.061 -0.003) 13.509 4.990 ( 0.549 0.011 0.009) 0.549 5.133 ( -11.815 -0.059 -0.187) 11.817 5.210 ( -3.666 0.380 1.290) 3.904 5.696 ( 0.022 -0.127 -0.284) 0.312 5.704 ( -0.082 -0.183 -0.408) 0.455 5.793 ( -1.707 -0.182 -1.141) 2.061 5.935 ( 0.789 0.186 1.199) 1.447 7.532 ( 0.361 -0.006 -0.129) 0.383 7.541 ( -0.204 0.006 -0.029) 0.206 7.597 ( 0.709 -0.027 -0.277) 0.762 7.638 ( -0.538 0.050 0.394) 0.668 8.098 ( 0.099 -0.038 -0.243) 0.265 8.124 ( -0.056 0.025 0.213) 0.221 9.232 ( -0.469 -0.043 -0.418) 0.630 9.279 ( 0.437 0.029 0.396) 0.590 12.236 ( 0.419 -0.043 -0.350) 0.548 12.274 ( 0.097 0.147 0.335) 0.379 14.108 ( -1.454 -0.310 -0.226) 1.504 14.119 ( -1.780 -1.707 -1.030) 2.673 14.267 ( 0.679 0.900 0.410) 1.200 14.392 ( 0.075 0.527 4.972) 5.000 14.536 ( 0.287 1.221 -5.420) 5.563 14.796 ( -0.213 -0.697 1.320) 1.507 ======================= Grid point 231 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 18.272 0.000 -0.470) 18.278 1.491 ( 6.126 0.000 -0.408) 6.139 1.789 ( 5.649 0.000 1.265) 5.789 1.863 ( 7.355 -0.000 4.542) 8.644 1.976 ( 5.711 0.000 -3.665) 6.786 2.101 ( -10.479 -0.000 -0.666) 10.501 2.185 ( -5.925 0.000 -3.312) 6.788 2.283 ( -8.097 -0.000 1.425) 8.221 2.371 ( -8.317 -0.000 -0.732) 8.349 2.397 ( 2.376 0.000 -4.289) 4.903 2.814 ( -6.913 -0.000 5.818) 9.035 2.845 ( -4.490 -0.000 7.803) 9.003 2.910 ( -7.771 0.000 -3.265) 8.429 2.997 ( -0.043 -0.000 0.522) 0.524 3.103 ( 8.410 0.000 -4.895) 9.731 3.107 ( -4.006 -0.000 -0.124) 4.007 3.196 ( 4.278 0.000 0.382) 4.295 3.370 ( 2.433 0.000 -3.164) 3.991 3.396 ( 5.942 0.000 -0.236) 5.947 3.608 ( 2.290 -0.000 3.188) 3.925 3.645 ( -1.164 -0.000 0.614) 1.316 3.678 ( 1.150 0.000 -1.211) 1.670 4.341 ( 37.787 0.000 -0.346) 37.789 4.413 ( 34.610 0.000 0.378) 34.612 4.986 ( -4.580 -0.000 -0.134) 4.582 5.021 ( -6.155 -0.000 0.267) 6.161 5.638 ( -25.645 -0.000 0.033) 25.645 5.663 ( -19.774 -0.000 0.845) 19.792 5.667 ( 2.702 0.000 -0.288) 2.718 5.680 ( -2.522 -0.000 -0.613) 2.595 5.801 ( 0.201 0.000 -0.639) 0.670 5.898 ( 3.635 0.000 0.521) 3.672 7.518 ( 1.067 0.000 -0.077) 1.070 7.531 ( 1.330 0.000 0.075) 1.332 7.580 ( 0.747 0.000 -0.379) 0.838 7.642 ( 0.427 -0.000 0.322) 0.534 8.114 ( -1.989 -0.000 -0.185) 1.997 8.146 ( -2.204 -0.000 0.181) 2.212 9.216 ( 2.093 0.000 -0.128) 2.097 9.240 ( 3.806 0.000 0.154) 3.809 12.232 ( -0.262 0.000 -0.222) 0.343 12.268 ( 0.715 0.000 0.194) 0.741 14.108 ( 0.395 0.000 -0.544) 0.672 14.160 ( -2.748 -0.000 -0.189) 2.755 14.258 ( 0.835 -0.000 0.281) 0.881 14.414 ( 0.325 -0.000 5.063) 5.074 14.510 ( 0.446 0.000 -5.526) 5.544 14.811 ( -1.115 -0.000 1.184) 1.627 ======================= Grid point 232 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 18.864 0.000 0.000) 18.864 1.489 ( 5.648 0.000 0.000) 5.648 1.795 ( 5.149 0.000 0.000) 5.149 1.890 ( 9.392 0.000 0.000) 9.392 1.953 ( 4.430 0.000 0.000) 4.430 2.097 ( -10.632 -0.000 -0.000) 10.632 2.170 ( -6.009 -0.000 -0.000) 6.009 2.292 ( -8.797 -0.000 -0.000) 8.797 2.368 ( -8.486 -0.000 -0.000) 8.486 2.375 ( 3.082 0.000 0.000) 3.082 2.857 ( -8.976 -0.000 -0.000) 8.976 2.879 ( -5.948 -0.000 -0.000) 5.948 2.892 ( -5.289 -0.000 -0.000) 5.289 2.985 ( 1.321 0.000 0.000) 1.321 3.084 ( 7.883 0.000 0.000) 7.883 3.107 ( -4.577 -0.000 -0.000) 4.577 3.198 ( 4.634 0.000 0.000) 4.634 3.355 ( 2.712 0.000 0.000) 2.712 3.395 ( 6.240 0.000 0.000) 6.240 3.625 ( 2.068 0.000 0.000) 2.068 3.647 ( -1.137 -0.000 -0.000) 1.137 3.670 ( 1.378 0.000 0.000) 1.378 4.339 ( 37.853 0.000 0.000) 37.853 4.414 ( 34.525 0.000 0.000) 34.525 4.986 ( -4.552 -0.000 -0.000) 4.552 5.022 ( -6.211 -0.000 -0.000) 6.211 5.638 ( -25.826 -0.000 -0.000) 25.826 5.665 ( 2.863 0.000 0.000) 2.863 5.668 ( -25.180 -0.000 -0.000) 25.180 5.675 ( 2.767 0.000 0.000) 2.767 5.798 ( 0.276 0.000 0.000) 0.276 5.901 ( 3.748 0.000 0.000) 3.748 7.518 ( 1.060 0.000 0.000) 1.060 7.532 ( 1.334 0.000 0.000) 1.334 7.578 ( 0.766 0.000 0.000) 0.766 7.643 ( 0.426 0.000 0.000) 0.426 8.114 ( -1.987 -0.000 -0.000) 1.987 8.147 ( -2.214 -0.000 -0.000) 2.214 9.215 ( 2.044 0.000 0.000) 2.044 9.241 ( 3.845 0.000 0.000) 3.845 12.231 ( -0.287 -0.000 -0.000) 0.287 12.269 ( 0.741 0.000 0.000) 0.741 14.106 ( 0.430 0.000 0.000) 0.430 14.160 ( -2.815 -0.000 -0.000) 2.815 14.260 ( 0.828 0.000 0.000) 0.828 14.457 ( 0.808 0.000 0.000) 0.808 14.465 ( -0.006 -0.000 -0.000) 0.006 14.816 ( -1.202 -0.000 -0.000) 1.202 ======================= Grid point 236 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 12.129 15.178) 19.429 0.805 ( 0.000 20.402 5.650) 21.170 1.098 ( 0.000 23.318 0.224) 23.319 1.288 ( 0.000 18.688 6.844) 19.901 1.347 ( -0.000 13.772 -8.303) 16.081 1.659 ( 0.000 2.336 3.076) 3.862 1.795 ( -0.000 -2.961 -3.095) 4.284 1.844 ( 0.000 1.625 0.956) 1.885 2.489 ( -0.000 -0.648 -5.676) 5.713 2.546 ( -0.000 0.705 -5.900) 5.942 2.768 ( 0.000 -4.716 3.272) 5.740 2.802 ( 0.000 -1.080 4.906) 5.024 2.811 ( 0.000 -3.020 0.097) 3.022 2.939 ( -0.000 0.024 -0.698) 0.698 2.988 ( -0.000 -6.201 -3.575) 7.157 3.207 ( -0.000 -4.365 -7.963) 9.081 3.370 ( 0.000 -1.986 1.948) 2.782 3.443 ( 0.000 -1.728 0.123) 1.732 3.483 ( 0.000 2.447 0.951) 2.626 3.582 ( 0.000 -1.739 3.503) 3.910 3.619 ( 0.000 -0.880 4.183) 4.275 3.640 ( 0.000 -1.106 3.456) 3.628 3.861 ( 0.000 1.520 2.383) 2.826 4.118 ( -0.000 -0.976 -8.404) 8.461 5.296 ( -0.000 -3.063 -0.060) 3.064 5.305 ( -0.000 -2.086 -0.347) 2.115 5.331 ( 0.000 -1.608 0.426) 1.663 5.332 ( 0.000 -3.309 0.058) 3.310 5.473 ( 0.000 2.339 0.984) 2.537 5.637 ( -0.000 -0.839 -2.405) 2.547 6.454 ( 0.000 1.278 0.875) 1.549 6.504 ( -0.000 -0.179 -0.122) 0.217 7.420 ( 0.000 -0.179 0.719) 0.741 7.439 ( -0.000 -0.300 -0.057) 0.305 7.544 ( 0.000 0.270 0.155) 0.311 7.569 ( -0.000 0.009 -0.689) 0.689 8.491 ( 0.000 0.193 0.038) 0.197 8.494 ( -0.000 0.138 -0.056) 0.149 8.843 ( 0.000 1.706 0.572) 1.799 8.870 ( 0.000 0.462 0.371) 0.592 12.225 ( 0.000 -0.165 0.653) 0.673 12.274 ( -0.000 -0.845 -0.620) 1.048 14.038 ( -0.000 -0.802 -0.083) 0.806 14.083 ( -0.000 -2.051 -2.418) 3.171 14.337 ( 0.000 4.418 0.212) 4.423 14.341 ( -0.000 3.251 -0.084) 3.252 14.498 ( -0.000 -0.592 -0.167) 0.615 14.500 ( -0.000 -0.006 -0.571) 0.571 ======================= Grid point 237 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -8.937 11.167 10.017) 17.462 1.116 ( -9.407 17.228 6.788) 20.769 1.362 ( -3.400 11.197 -5.497) 12.929 1.560 ( -14.415 6.419 -5.421) 16.685 1.692 ( -19.711 11.395 2.024) 22.857 1.755 ( -6.397 3.276 2.353) 7.563 1.873 ( -20.480 4.853 2.140) 21.155 1.960 ( -8.958 4.436 1.122) 10.059 2.417 ( 1.936 -2.017 -4.197) 5.043 2.560 ( -2.713 -0.643 -4.569) 5.352 2.668 ( 4.487 -4.545 1.910) 6.666 2.797 ( 2.132 -3.243 -0.102) 3.882 2.858 ( -2.656 -2.655 3.408) 5.072 2.928 ( -1.068 -2.850 -2.383) 3.866 2.977 ( -3.680 0.746 0.458) 3.782 3.111 ( 2.847 -3.653 -6.398) 7.899 3.299 ( 6.008 -1.824 0.105) 6.280 3.412 ( 4.187 -2.070 -0.592) 4.708 3.440 ( 5.031 2.317 0.806) 5.597 3.546 ( 4.865 -0.341 2.809) 5.628 3.572 ( 0.507 -1.730 3.060) 3.551 3.689 ( -1.563 -0.778 3.920) 4.291 3.841 ( 3.888 0.283 0.045) 3.899 3.949 ( 9.901 0.771 -3.945) 10.686 5.261 ( 2.738 -1.218 0.243) 3.007 5.304 ( 2.325 -1.177 -0.171) 2.611 5.340 ( -5.454 -2.336 0.044) 5.933 5.370 ( -6.528 -3.374 -0.968) 7.411 5.512 ( -2.846 1.038 0.548) 3.078 5.662 ( -3.812 -0.562 -0.522) 3.889 6.430 ( 4.177 0.126 -0.318) 4.191 6.466 ( 4.195 -0.352 0.348) 4.224 7.430 ( -1.030 0.081 0.171) 1.047 7.454 ( -1.478 -0.260 0.081) 1.503 7.551 ( -0.419 0.241 0.065) 0.487 7.573 ( -0.696 -0.016 -0.256) 0.742 8.417 ( 6.601 0.176 -0.074) 6.604 8.422 ( 6.358 0.238 0.042) 6.362 8.922 ( -5.641 1.375 0.510) 5.828 8.940 ( -5.796 0.462 0.091) 5.815 12.228 ( -0.215 -0.178 0.551) 0.618 12.263 ( 0.185 -0.647 -0.419) 0.793 14.057 ( -2.204 -2.173 -0.530) 3.141 14.072 ( -1.834 -2.955 -1.355) 3.733 14.326 ( 4.323 2.013 0.216) 4.773 14.377 ( 1.461 2.434 0.150) 2.843 14.404 ( -1.831 2.641 0.597) 3.268 14.686 ( -9.003 -1.802 -1.720) 9.341 ======================= Grid point 238 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -8.636 7.568 4.605) 12.372 1.362 ( -2.039 9.778 3.851) 10.705 1.468 ( -4.138 5.315 -3.140) 7.432 1.615 ( 0.463 2.756 -3.447) 4.438 1.890 ( -6.530 2.201 2.051) 7.190 2.118 ( -10.449 1.018 2.377) 10.764 2.335 ( -5.615 2.605 -2.114) 6.541 2.378 ( -17.869 4.257 -3.168) 18.640 2.505 ( -14.966 -1.904 1.411) 15.152 2.592 ( -8.659 1.214 4.735) 9.943 2.639 ( -14.228 -2.785 -1.981) 14.633 2.722 ( 0.624 0.189 1.084) 1.265 2.845 ( 1.688 -2.571 -2.988) 4.288 2.956 ( -2.518 -1.144 0.493) 2.809 2.988 ( 4.587 -2.418 0.696) 5.232 3.091 ( -1.367 1.832 4.280) 4.852 3.177 ( 1.376 1.204 -6.592) 6.841 3.226 ( 8.925 -1.468 -4.169) 9.960 3.378 ( 3.060 -1.829 -0.604) 3.616 3.501 ( 0.591 0.131 2.982) 3.043 3.574 ( -0.181 -1.175 2.529) 2.794 3.690 ( 2.211 -0.877 -0.403) 2.413 3.760 ( 2.180 0.567 1.259) 2.581 3.829 ( 2.483 2.463 -0.157) 3.501 5.174 ( 5.548 -0.795 0.058) 5.605 5.221 ( 5.368 -0.643 -0.247) 5.412 5.458 ( -7.833 -1.412 0.319) 7.965 5.482 ( -7.351 -1.632 -0.682) 7.561 5.587 ( -5.058 -1.247 -1.552) 5.435 5.754 ( -5.187 0.260 1.852) 5.514 6.291 ( 10.423 -0.446 -0.684) 10.455 6.325 ( 10.861 -0.580 0.236) 10.879 7.459 ( -1.867 0.138 -0.165) 1.879 7.484 ( -1.646 0.041 0.138) 1.653 7.566 ( -1.008 0.126 0.108) 1.022 7.589 ( -0.968 -0.103 -0.083) 0.977 8.289 ( 6.639 0.187 -0.020) 6.641 8.300 ( 6.264 0.125 -0.043) 6.265 9.040 ( -5.573 0.618 -0.138) 5.609 9.064 ( -6.528 0.447 0.254) 6.548 12.237 ( -0.632 -0.103 0.215) 0.675 12.256 ( 0.127 -0.115 -0.004) 0.171 14.064 ( -1.569 -3.361 -0.619) 3.761 14.087 ( -2.447 -3.513 -1.289) 4.471 14.278 ( 2.348 2.186 1.189) 3.422 14.374 ( 1.126 1.951 1.877) 2.932 14.470 ( -2.251 2.682 -1.815) 3.944 14.782 ( -3.880 -2.045 -0.665) 4.436 ======================= Grid point 239 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -3.882 1.385 0.292) 4.132 1.420 ( -2.040 1.352 -2.024) 3.175 1.583 ( -4.175 2.559 1.567) 5.142 1.650 ( -4.993 2.015 -0.595) 5.417 2.011 ( -4.242 0.715 -0.208) 4.307 2.278 ( -5.385 0.299 1.560) 5.614 2.338 ( 1.532 -0.393 0.173) 1.591 2.462 ( 3.960 3.236 -0.589) 5.148 2.504 ( 2.211 0.769 5.347) 5.837 2.612 ( 6.858 1.064 -0.134) 6.941 2.730 ( 2.503 -3.059 -4.156) 5.736 2.798 ( 7.738 -1.357 7.080) 10.576 2.902 ( 10.763 -0.684 -3.275) 11.272 3.004 ( -0.656 -0.583 -0.197) 0.900 3.015 ( -9.748 0.200 -2.572) 10.084 3.145 ( -11.619 -0.547 0.638) 11.649 3.172 ( -5.655 1.950 -6.186) 8.605 3.292 ( -2.499 -5.971 -2.959) 7.117 3.391 ( -12.462 4.086 2.477) 13.347 3.543 ( -4.258 -1.492 1.403) 4.725 3.590 ( -0.947 1.135 2.575) 2.969 3.677 ( 3.028 0.530 1.593) 3.462 3.870 ( -21.703 2.604 -0.867) 21.876 3.941 ( -14.483 1.444 0.293) 14.558 5.052 ( 6.365 -0.801 -0.342) 6.424 5.103 ( 6.489 -0.139 0.151) 6.492 5.588 ( -6.138 -0.545 0.173) 6.165 5.597 ( -5.729 -0.593 -0.223) 5.764 5.663 ( -5.043 -1.730 -1.680) 5.590 5.853 ( -3.381 0.463 2.332) 4.133 6.023 ( 17.477 -0.433 -0.861) 17.504 6.052 ( 17.830 -0.524 -0.106) 17.838 7.495 ( -1.883 0.079 -0.229) 1.899 7.514 ( -1.241 0.186 0.042) 1.256 7.590 ( -1.254 0.147 0.367) 1.315 7.604 ( -0.781 -0.178 -0.216) 0.829 8.183 ( 4.589 0.062 -0.102) 4.590 8.201 ( 4.268 0.086 0.064) 4.270 9.135 ( -4.392 0.062 -0.444) 4.415 9.180 ( -5.160 0.261 0.365) 5.179 12.252 ( -0.738 0.156 0.107) 0.762 12.253 ( 0.191 0.148 0.038) 0.245 14.064 ( -1.724 -3.427 -0.566) 3.877 14.097 ( -1.979 -2.947 -1.119) 3.722 14.272 ( 1.163 2.308 0.970) 2.761 14.384 ( 0.542 1.646 3.682) 4.069 14.505 ( -0.947 1.805 -3.799) 4.311 14.809 ( -0.909 -1.467 0.354) 1.762 ======================= Grid point 240 (101/171) ======================= q-point: ( 0.80 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -3.019 -1.471 -2.699) 4.308 1.469 ( -7.985 -1.328 -0.771) 8.131 1.732 ( -9.563 0.649 1.958) 9.783 1.766 ( -4.806 0.208 0.647) 4.854 2.050 ( -0.439 0.001 -1.896) 1.946 2.284 ( 5.532 -0.128 2.638) 6.130 2.319 ( 6.491 1.398 2.704) 7.169 2.362 ( 8.344 2.961 -0.094) 8.855 2.416 ( 6.353 1.145 -4.776) 8.030 2.471 ( 7.384 -0.366 4.566) 8.689 2.699 ( 0.070 -0.520 -5.179) 5.206 2.722 ( 0.057 -0.527 1.780) 1.857 2.739 ( 1.528 -0.695 3.361) 3.757 2.987 ( 1.022 0.668 -1.103) 1.646 3.068 ( 0.129 -2.131 -0.004) 2.135 3.177 ( -1.067 -1.170 -1.975) 2.531 3.284 ( -4.044 -1.334 -1.968) 4.691 3.375 ( -6.125 0.992 -0.974) 6.280 3.492 ( 1.798 1.623 0.065) 2.423 3.598 ( 1.610 2.601 2.074) 3.696 3.623 ( -1.715 -0.056 2.472) 3.009 3.687 ( -2.877 -2.007 -0.858) 3.611 4.444 ( -33.561 0.962 -0.023) 33.575 4.456 ( -34.200 1.096 0.095) 34.217 4.945 ( 3.610 -0.429 -0.312) 3.648 4.992 ( 4.922 0.172 0.191) 4.929 5.599 ( 25.843 -0.470 0.057) 25.848 5.635 ( 23.189 -0.152 0.973) 23.210 5.669 ( -2.871 -0.322 -0.031) 2.889 5.677 ( -2.000 -0.342 -0.448) 2.078 5.739 ( -3.206 -0.823 -1.554) 3.656 5.928 ( -1.659 0.409 0.835) 1.902 7.525 ( -1.310 0.031 -0.125) 1.316 7.531 ( -0.472 0.077 -0.070) 0.483 7.605 ( 0.111 0.063 0.112) 0.170 7.621 ( -1.298 -0.028 0.052) 1.299 8.119 ( 2.230 -0.037 -0.131) 2.234 8.143 ( 2.054 0.060 0.109) 2.058 9.200 ( -2.741 -0.125 -0.353) 2.766 9.258 ( -2.726 0.131 0.294) 2.745 12.245 ( 0.596 0.040 -0.107) 0.607 12.269 ( -0.577 0.298 0.146) 0.666 14.076 ( -2.289 -2.332 -0.393) 3.291 14.106 ( -1.398 -1.971 -0.658) 2.504 14.272 ( 0.799 1.599 0.430) 1.838 14.410 ( 0.197 1.438 4.817) 5.031 14.505 ( -0.096 1.154 -4.960) 5.094 14.807 ( 0.110 -0.922 0.635) 1.124 ======================= Grid point 241 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -3.787 -0.824 -1.437) 4.133 1.638 ( -6.786 -0.183 0.102) 6.789 1.825 ( -0.974 -0.009 0.030) 0.975 1.923 ( -5.818 0.484 5.411) 7.959 2.031 ( 0.871 -0.229 -5.269) 5.345 2.058 ( 10.793 -0.724 0.225) 10.819 2.193 ( 8.186 0.576 0.015) 8.206 2.237 ( 2.054 -0.208 0.399) 2.102 2.315 ( 5.812 0.782 0.286) 5.871 2.403 ( -0.075 -0.226 -1.983) 1.998 2.735 ( -3.564 0.845 3.053) 4.768 2.762 ( -4.629 1.447 -2.028) 5.257 2.802 ( -4.792 -1.799 3.252) 6.064 2.983 ( -0.182 1.413 -1.063) 1.778 3.056 ( -1.654 -2.194 -0.295) 2.763 3.174 ( 0.795 -0.512 -1.072) 1.430 3.278 ( 3.016 -0.867 -0.661) 3.207 3.421 ( 3.844 1.980 -0.674) 4.376 3.457 ( 0.234 -0.552 0.026) 0.600 3.619 ( -0.647 2.302 0.436) 2.431 3.644 ( 0.351 -0.016 1.700) 1.736 3.691 ( -0.088 -2.257 -0.705) 2.366 4.911 ( 1.541 -0.070 -0.184) 1.554 4.938 ( 0.306 0.289 -0.032) 0.422 4.986 ( 13.646 -0.051 0.004) 13.646 4.990 ( 0.032 0.013 0.002) 0.035 5.132 ( -12.092 -0.047 -0.051) 12.092 5.218 ( -3.320 0.461 0.471) 3.385 5.694 ( 0.041 -0.199 -0.092) 0.223 5.701 ( -0.127 -0.185 -0.194) 0.296 5.786 ( -1.849 -0.235 -0.373) 1.901 5.942 ( 0.903 0.254 0.412) 1.025 7.531 ( 0.363 -0.019 -0.045) 0.366 7.541 ( -0.280 0.007 -0.018) 0.281 7.595 ( 0.826 -0.044 -0.089) 0.832 7.641 ( -0.578 0.076 0.136) 0.599 8.097 ( 0.106 -0.053 -0.085) 0.146 8.126 ( -0.066 0.038 0.073) 0.105 9.230 ( -0.535 -0.072 -0.145) 0.559 9.282 ( 0.482 0.056 0.136) 0.504 12.234 ( 0.444 -0.062 -0.121) 0.465 12.276 ( 0.086 0.165 0.115) 0.219 14.108 ( -1.405 -0.739 0.182) 1.598 14.112 ( -1.883 -1.227 -0.635) 2.336 14.270 ( 0.688 0.843 0.165) 1.101 14.438 ( 0.179 0.901 5.262) 5.342 14.487 ( 0.202 0.688 -5.413) 5.460 14.804 ( -0.264 -0.529 0.449) 0.743 ======================= Grid point 247 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 9.826 15.376) 18.248 0.863 ( 0.000 18.817 7.159) 20.133 1.088 ( -0.000 18.497 -2.676) 18.689 1.264 ( -0.000 12.699 -10.281) 16.339 1.369 ( 0.000 19.603 11.090) 22.523 1.693 ( 0.000 2.817 4.460) 5.276 1.754 ( -0.000 -0.736 -6.007) 6.052 1.846 ( -0.000 4.051 -0.984) 4.168 2.446 ( -0.000 -1.524 -3.652) 3.957 2.497 ( -0.000 -0.188 -5.006) 5.010 2.792 ( 0.000 -4.799 2.071) 5.227 2.812 ( 0.000 -3.214 0.051) 3.215 2.841 ( 0.000 -0.751 3.800) 3.873 2.929 ( -0.000 0.422 -1.685) 1.737 2.969 ( -0.000 -6.816 -0.361) 6.825 3.135 ( -0.000 -4.698 -8.051) 9.321 3.386 ( 0.000 -0.946 1.869) 2.095 3.440 ( -0.000 -1.296 -0.760) 1.502 3.501 ( 0.000 1.936 2.989) 3.561 3.593 ( -0.000 -0.689 -0.384) 0.789 3.653 ( 0.000 -0.384 3.703) 3.723 3.684 ( 0.000 -1.520 4.953) 5.181 3.883 ( 0.000 -0.174 2.415) 2.421 4.040 ( -0.000 -0.411 -8.653) 8.662 5.296 ( 0.000 -3.235 0.035) 3.235 5.302 ( -0.000 -2.637 -0.333) 2.658 5.333 ( 0.000 -2.667 0.036) 2.667 5.333 ( 0.000 -1.538 0.156) 1.545 5.488 ( 0.000 2.058 2.295) 3.083 5.612 ( -0.000 -0.313 -3.285) 3.300 6.463 ( 0.000 1.059 1.146) 1.561 6.501 ( -0.000 0.014 -0.524) 0.524 7.426 ( 0.000 -0.400 0.663) 0.774 7.439 ( -0.000 -0.352 -0.114) 0.370 7.546 ( 0.000 0.265 0.246) 0.362 7.563 ( -0.000 0.162 -0.697) 0.716 8.491 ( 0.000 0.180 0.055) 0.188 8.494 ( -0.000 0.139 -0.073) 0.157 8.849 ( 0.000 1.620 0.763) 1.791 8.871 ( -0.000 0.697 -0.038) 0.698 12.232 ( 0.000 -0.254 0.889) 0.925 12.268 ( -0.000 -0.750 -0.850) 1.133 14.037 ( -0.000 -0.890 -0.043) 0.891 14.063 ( -0.000 -1.361 -1.990) 2.411 14.338 ( 0.000 4.423 0.185) 4.427 14.341 ( -0.000 3.486 -0.054) 3.487 14.496 ( -0.000 -0.203 -0.391) 0.441 14.496 ( -0.000 -0.589 -0.207) 0.624 ======================= Grid point 248 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -6.957 9.638 9.884) 15.460 1.176 ( -9.960 14.717 5.633) 18.642 1.311 ( -4.474 9.711 -4.881) 11.754 1.506 ( -12.937 6.784 -6.578) 16.020 1.713 ( -19.646 11.679 2.556) 22.998 1.781 ( -5.856 4.065 3.140) 7.790 1.891 ( -20.159 6.605 1.868) 21.295 1.959 ( -8.820 5.075 -1.435) 10.277 2.390 ( 0.643 -2.747 -1.898) 3.400 2.521 ( -4.098 -1.716 -3.935) 5.934 2.682 ( 4.750 -3.608 1.184) 6.081 2.797 ( 2.562 -3.046 0.141) 3.983 2.884 ( -2.353 -4.504 2.412) 5.625 2.911 ( -0.877 -2.307 -1.116) 2.708 2.981 ( -3.845 1.424 0.117) 4.102 3.054 ( 0.858 -1.433 -5.766) 6.003 3.303 ( 7.400 -2.870 0.772) 7.975 3.406 ( 4.916 -2.523 -0.584) 5.557 3.449 ( 5.768 1.723 1.017) 6.106 3.559 ( 3.302 0.546 0.783) 3.438 3.607 ( 2.488 -1.263 3.787) 4.704 3.721 ( -1.096 -0.324 3.179) 3.379 3.831 ( 5.746 -0.383 -2.410) 6.242 3.921 ( 5.881 -0.407 -1.891) 6.191 5.263 ( 2.653 -1.132 0.262) 2.897 5.301 ( 2.630 -0.792 -0.381) 2.773 5.342 ( -5.550 -2.616 0.372) 6.147 5.362 ( -6.452 -3.462 -0.916) 7.380 5.517 ( -1.987 0.369 0.586) 2.104 5.657 ( -5.072 0.136 -0.561) 5.105 6.428 ( 4.674 0.113 -0.135) 4.677 6.469 ( 4.036 -0.255 0.162) 4.048 7.431 ( -0.874 -0.037 0.122) 0.884 7.455 ( -1.533 -0.270 0.066) 1.558 7.551 ( -0.393 0.182 0.061) 0.437 7.571 ( -0.854 0.044 -0.208) 0.880 8.417 ( 6.556 0.154 -0.058) 6.558 8.423 ( 6.426 0.261 0.031) 6.431 8.927 ( -5.509 1.230 0.590) 5.675 8.940 ( -5.722 0.613 -0.146) 5.757 12.234 ( -0.079 -0.347 0.586) 0.685 12.259 ( -0.006 -0.466 -0.480) 0.669 14.053 ( -1.934 -2.359 -0.416) 3.079 14.061 ( -2.095 -2.561 -1.067) 3.476 14.330 ( 4.099 2.154 0.739) 4.689 14.373 ( 0.680 3.887 -0.741) 4.015 14.411 ( -1.059 0.998 0.799) 1.660 14.672 ( -8.785 -1.078 -1.308) 8.947 ======================= Grid point 249 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -6.919 5.550 4.293) 9.854 1.368 ( -2.186 6.180 -2.451) 6.998 1.469 ( -4.729 7.374 3.387) 9.392 1.581 ( 0.689 6.208 -3.986) 7.409 1.909 ( -5.860 1.099 1.949) 6.273 2.128 ( -10.189 1.898 0.043) 10.364 2.327 ( -8.920 2.869 0.117) 9.371 2.352 ( -14.448 3.486 -2.455) 15.063 2.515 ( -16.223 -2.318 0.855) 16.410 2.625 ( -15.234 -3.453 -0.909) 15.647 2.634 ( -9.041 1.796 4.415) 10.220 2.717 ( -1.528 -0.165 -2.389) 2.841 2.830 ( 4.890 -2.247 -0.282) 5.389 2.955 ( -3.803 1.031 -0.582) 3.983 3.002 ( 1.532 -1.841 2.035) 3.142 3.115 ( 7.672 -1.393 -2.193) 8.100 3.136 ( -2.845 2.349 0.992) 3.820 3.192 ( 8.120 -1.166 -3.485) 8.913 3.374 ( 3.617 -2.133 -0.334) 4.212 3.524 ( 0.913 0.163 1.971) 2.178 3.592 ( 0.081 -1.006 1.389) 1.717 3.677 ( 2.731 0.402 -1.723) 3.254 3.776 ( 0.913 -0.780 1.738) 2.112 3.827 ( 2.483 2.147 -0.221) 3.290 5.175 ( 5.691 -0.931 0.047) 5.766 5.219 ( 5.340 -0.296 -0.175) 5.351 5.462 ( -7.863 -1.532 0.537) 8.029 5.476 ( -7.668 -1.827 -0.734) 7.917 5.576 ( -4.581 -1.430 -0.857) 4.875 5.767 ( -5.599 0.570 1.032) 5.722 6.286 ( 10.477 -0.473 -0.395) 10.495 6.327 ( 10.953 -0.582 0.111) 10.969 7.458 ( -1.810 0.082 -0.091) 1.814 7.485 ( -1.641 0.052 0.073) 1.644 7.567 ( -1.133 0.001 0.071) 1.135 7.588 ( -0.917 -0.007 -0.055) 0.918 8.289 ( 6.627 0.120 -0.014) 6.628 8.300 ( 6.279 0.202 -0.025) 6.282 9.039 ( -5.348 0.544 -0.066) 5.377 9.066 ( -6.626 0.499 0.136) 6.646 12.238 ( -0.568 -0.215 0.141) 0.624 12.256 ( 0.058 0.008 -0.011) 0.059 14.060 ( -1.670 -3.669 -0.132) 4.034 14.077 ( -2.203 -3.110 -1.032) 3.949 14.288 ( 2.249 2.168 0.891) 3.248 14.389 ( 0.697 3.542 1.383) 3.865 14.455 ( -1.896 0.761 -1.515) 2.543 14.777 ( -4.115 -1.452 -0.402) 4.382 ======================= Grid point 250 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -2.850 0.647 1.218) 3.166 1.400 ( -2.143 0.538 -2.043) 3.009 1.596 ( -3.001 3.005 0.928) 4.347 1.645 ( -6.387 3.308 -0.364) 7.202 2.011 ( -3.645 0.085 0.022) 3.647 2.287 ( -5.607 0.669 0.414) 5.662 2.339 ( 0.883 -1.270 0.117) 1.552 2.457 ( 2.688 3.804 -0.309) 4.669 2.547 ( 3.018 1.456 3.162) 4.607 2.615 ( 5.105 0.663 0.798) 5.210 2.689 ( 4.812 -2.274 -3.934) 6.619 2.856 ( 9.180 -1.165 4.878) 10.460 2.880 ( 11.620 -1.314 -1.602) 11.803 2.988 ( -4.932 1.473 -1.667) 5.410 3.010 ( -5.603 -1.919 -0.123) 5.924 3.122 ( -5.999 2.336 -3.053) 7.125 3.160 ( -16.894 -0.157 0.985) 16.923 3.269 ( 1.102 -7.915 -1.636) 8.157 3.407 ( -12.397 4.874 0.977) 13.357 3.551 ( -5.434 -1.845 0.504) 5.761 3.603 ( -1.273 0.938 0.590) 1.688 3.689 ( 5.410 1.370 0.898) 5.653 3.863 ( -23.119 2.555 -0.424) 23.264 3.943 ( -14.275 1.256 0.131) 14.331 5.050 ( 6.410 -0.922 -0.128) 6.478 5.104 ( 6.470 0.048 0.054) 6.471 5.590 ( -5.944 -0.655 0.120) 5.981 5.595 ( -5.947 -0.631 -0.109) 5.982 5.652 ( -5.181 -1.772 -0.616) 5.510 5.868 ( -3.857 0.692 0.893) 4.019 6.017 ( 17.895 -0.586 -0.391) 17.909 6.051 ( 17.984 -0.516 -0.037) 17.992 7.494 ( -1.884 0.057 -0.081) 1.887 7.514 ( -1.202 0.183 0.010) 1.216 7.592 ( -1.521 -0.033 0.187) 1.532 7.602 ( -0.557 -0.001 -0.130) 0.572 8.183 ( 4.604 0.019 -0.037) 4.604 8.202 ( 4.249 0.132 0.023) 4.251 9.132 ( -4.341 0.043 -0.155) 4.344 9.182 ( -5.193 0.267 0.125) 5.201 12.253 ( -0.830 0.170 0.049) 0.849 12.254 ( 0.311 0.136 0.006) 0.339 14.061 ( -1.781 -3.741 -0.189) 4.148 14.090 ( -1.900 -2.495 -0.427) 3.165 14.278 ( 1.237 2.146 0.359) 2.503 14.416 ( 0.485 3.511 2.888) 4.572 14.473 ( -1.007 -0.319 -2.941) 3.125 14.811 ( -1.005 -1.119 0.127) 1.510 ======================= Grid point 251 (107/171) ======================= q-point: (-0.10 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.720 -1.604 -0.000) 3.158 1.466 ( -8.176 -1.397 -0.000) 8.294 1.741 ( -10.087 0.912 -0.000) 10.129 1.769 ( -4.717 0.260 -0.000) 4.725 2.041 ( 0.054 -0.259 -0.000) 0.265 2.294 ( 3.682 -0.344 0.000) 3.698 2.352 ( 15.427 0.995 0.000) 15.459 2.352 ( 2.245 1.754 0.000) 2.848 2.381 ( 5.271 2.408 0.000) 5.795 2.499 ( 10.347 0.929 0.000) 10.388 2.666 ( -3.460 -1.474 -0.000) 3.760 2.724 ( 1.398 -0.791 -0.000) 1.606 2.767 ( 0.773 -0.157 0.000) 0.789 2.979 ( 1.263 1.263 0.000) 1.786 3.068 ( 0.084 -2.312 -0.000) 2.314 3.168 ( -1.116 -1.017 -0.000) 1.510 3.275 ( -4.206 -2.350 -0.000) 4.818 3.371 ( -6.559 1.353 -0.000) 6.697 3.492 ( 1.935 1.687 0.000) 2.568 3.607 ( 1.822 2.199 0.000) 2.856 3.637 ( -1.186 0.561 0.000) 1.312 3.682 ( -3.237 -2.139 -0.000) 3.880 4.444 ( -33.549 0.951 -0.000) 33.562 4.457 ( -34.210 1.099 -0.000) 34.228 4.944 ( 3.574 -0.460 0.000) 3.604 4.993 ( 4.950 0.214 0.000) 4.955 5.599 ( 25.967 -0.462 0.000) 25.971 5.640 ( 24.280 0.034 0.000) 24.280 5.670 ( -2.188 -0.453 -0.000) 2.234 5.674 ( -2.910 -0.393 -0.000) 2.936 5.732 ( -4.184 -0.888 -0.000) 4.277 5.932 ( -1.718 0.443 -0.000) 1.774 7.525 ( -1.340 0.017 -0.000) 1.340 7.530 ( -0.447 0.080 -0.000) 0.454 7.605 ( 0.192 0.002 0.000) 0.192 7.622 ( -1.376 0.039 -0.000) 1.376 8.118 ( 2.235 -0.051 0.000) 2.236 8.144 ( 2.049 0.074 0.000) 2.051 9.199 ( -2.751 -0.139 -0.000) 2.754 9.259 ( -2.725 0.142 -0.000) 2.729 12.245 ( 0.631 0.025 0.000) 0.631 12.270 ( -0.597 0.312 0.000) 0.673 14.074 ( -2.387 -2.490 -0.000) 3.449 14.103 ( -1.320 -1.760 -0.000) 2.200 14.274 ( 0.818 1.539 0.000) 1.743 14.444 ( 0.574 3.660 0.000) 3.704 14.470 ( -0.496 -1.188 -0.000) 1.287 14.810 ( 0.097 -0.789 -0.000) 0.795 ======================= Grid point 259 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.000 17.199 7.554) 18.784 0.935 ( 0.000 9.186 13.904) 16.664 1.052 ( -0.000 17.084 -5.102) 17.829 1.166 ( 0.000 11.835 -11.577) 16.555 1.478 ( 0.000 16.217 13.006) 20.788 1.687 ( 0.000 4.345 -9.161) 10.139 1.737 ( 0.000 3.312 5.285) 6.237 1.825 ( 0.000 4.422 -3.659) 5.739 2.426 ( -0.000 -1.997 -0.674) 2.108 2.458 ( -0.000 -1.203 -3.696) 3.887 2.805 ( 0.000 -4.440 0.958) 4.542 2.812 ( 0.000 -3.412 -0.079) 3.413 2.870 ( 0.000 -0.884 2.726) 2.866 2.911 ( 0.000 -0.799 -2.186) 2.328 2.980 ( 0.000 -5.666 2.767) 6.306 3.068 ( -0.000 -4.963 -6.793) 8.413 3.403 ( -0.000 -0.648 1.786) 1.900 3.431 ( 0.000 -0.985 -1.260) 1.599 3.532 ( 0.000 1.200 3.596) 3.791 3.583 ( 0.000 -0.212 -1.787) 1.800 3.685 ( 0.000 0.724 3.436) 3.512 3.714 ( -0.000 -0.020 1.608) 1.608 3.904 ( -0.000 -1.751 2.283) 2.877 3.971 ( 0.000 -1.307 -6.434) 6.565 5.296 ( 0.000 -3.351 0.108) 3.352 5.300 ( 0.000 -3.063 -0.254) 3.073 5.333 ( 0.000 -2.114 0.037) 2.114 5.334 ( 0.000 -1.536 -0.028) 1.536 5.513 ( -0.000 1.541 3.345) 3.683 5.580 ( 0.000 0.299 -3.797) 3.808 6.474 ( -0.000 0.808 1.248) 1.487 6.494 ( -0.000 0.273 -0.909) 0.949 7.431 ( 0.000 -0.481 0.501) 0.695 7.437 ( 0.000 -0.414 -0.206) 0.462 7.549 ( 0.000 0.262 0.352) 0.439 7.557 ( 0.000 0.234 -0.598) 0.642 8.492 ( 0.000 0.165 0.069) 0.179 8.493 ( 0.000 0.144 -0.080) 0.165 8.856 ( 0.000 1.484 0.835) 1.703 8.869 ( 0.000 1.007 -0.467) 1.110 12.241 ( 0.000 -0.368 1.032) 1.096 12.259 ( 0.000 -0.630 -1.006) 1.186 14.038 ( -0.000 -0.972 0.148) 0.983 14.049 ( -0.000 -1.101 -1.228) 1.649 14.340 ( -0.000 4.319 0.098) 4.320 14.340 ( -0.000 3.787 -0.016) 3.787 14.493 ( 0.000 -0.405 -0.140) 0.428 14.494 ( -0.000 -0.578 -0.182) 0.606 ======================= Grid point 260 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -5.263 8.774 7.935) 12.947 1.182 ( -6.704 13.070 -4.266) 15.296 1.302 ( -10.615 6.975 2.181) 12.888 1.452 ( -11.105 9.741 -4.411) 15.417 1.731 ( -19.665 11.203 1.105) 22.660 1.805 ( -4.962 4.544 1.794) 6.964 1.909 ( -18.580 7.287 2.300) 20.090 1.937 ( -10.148 5.777 -2.956) 12.045 2.381 ( -0.065 -3.122 -0.343) 3.141 2.495 ( -4.811 -2.248 -1.563) 5.535 2.689 ( 4.684 -3.091 0.342) 5.622 2.798 ( 2.654 -3.111 0.160) 4.092 2.894 ( -2.686 -4.618 0.032) 5.343 2.915 ( -0.032 -3.516 1.507) 3.826 2.972 ( -1.673 0.108 -1.837) 2.487 3.021 ( -2.256 1.955 -1.459) 3.323 3.309 ( 7.669 -3.264 0.411) 8.345 3.402 ( 5.296 -2.811 -0.258) 6.001 3.456 ( 6.525 1.006 0.454) 6.618 3.564 ( 2.230 1.297 0.289) 2.596 3.631 ( 3.784 -0.648 1.548) 4.139 3.746 ( -0.918 0.899 2.169) 2.521 3.804 ( 6.991 -1.335 -2.709) 7.615 3.913 ( 3.336 -1.658 -0.214) 3.732 5.265 ( 2.569 -1.086 0.128) 2.792 5.298 ( 2.736 -0.561 -0.212) 2.801 5.347 ( -5.501 -2.712 0.554) 6.158 5.354 ( -6.415 -3.594 -0.716) 7.388 5.521 ( -1.291 -0.123 0.262) 1.323 5.653 ( -5.976 0.655 -0.252) 6.017 6.428 ( 4.976 0.077 -0.030) 4.977 6.470 ( 3.932 -0.178 0.041) 3.936 7.432 ( -0.787 -0.101 0.043) 0.794 7.455 ( -1.562 -0.277 0.026) 1.587 7.552 ( -0.369 0.140 0.026) 0.395 7.570 ( -0.955 0.084 -0.080) 0.962 8.416 ( 6.538 0.144 -0.022) 6.539 8.423 ( 6.457 0.270 0.012) 6.463 8.932 ( -5.260 1.049 0.465) 5.384 8.938 ( -5.860 0.810 -0.304) 5.923 12.238 ( 0.103 -0.549 0.318) 0.643 12.255 ( -0.220 -0.256 -0.278) 0.437 14.051 ( -1.979 -2.501 -0.118) 3.192 14.054 ( -2.010 -2.320 -0.438) 3.101 14.337 ( 4.018 1.979 0.527) 4.510 14.367 ( 0.462 4.610 -0.537) 4.664 14.416 ( -0.923 0.419 0.317) 1.061 14.664 ( -8.636 -0.676 -0.483) 8.676 ======================= Grid point 261 (110/171) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -5.863 4.240 0.000) 7.235 1.349 ( -3.456 5.983 0.000) 6.909 1.496 ( -4.721 5.833 0.000) 7.504 1.555 ( 1.344 9.215 0.000) 9.312 1.919 ( -5.488 0.571 -0.000) 5.518 2.126 ( -10.153 2.466 -0.000) 10.449 2.333 ( -19.225 6.862 -0.000) 20.413 2.336 ( -4.133 -0.847 -0.000) 4.219 2.519 ( -16.715 -2.467 -0.000) 16.896 2.620 ( -16.254 -3.284 -0.000) 16.583 2.664 ( -13.643 3.607 -0.000) 14.112 2.695 ( 3.606 -2.734 -0.000) 4.526 2.831 ( 5.426 -1.764 0.000) 5.706 2.951 ( -4.081 1.494 -0.000) 4.346 3.014 ( -2.730 0.187 -0.000) 2.737 3.094 ( 10.390 -3.253 0.000) 10.887 3.160 ( -7.160 4.123 0.000) 8.263 3.165 ( 13.921 -3.106 0.000) 14.264 3.372 ( 3.843 -2.252 -0.000) 4.454 3.533 ( 1.177 0.161 0.000) 1.188 3.598 ( 0.212 -0.886 -0.000) 0.911 3.669 ( 2.576 0.616 0.000) 2.648 3.785 ( 0.445 -1.013 -0.000) 1.106 3.826 ( 2.665 1.974 0.000) 3.317 5.175 ( 5.752 -0.989 0.000) 5.836 5.218 ( 5.318 -0.155 0.000) 5.321 5.467 ( -7.749 -1.374 -0.000) 7.870 5.471 ( -7.919 -2.113 -0.000) 8.196 5.572 ( -4.404 -1.481 -0.000) 4.646 5.772 ( -5.744 0.678 -0.000) 5.784 6.285 ( 10.505 -0.487 0.000) 10.517 6.327 ( 10.983 -0.581 0.000) 10.998 7.457 ( -1.790 0.062 -0.000) 1.791 7.485 ( -1.638 0.055 -0.000) 1.639 7.567 ( -1.183 -0.050 -0.000) 1.184 7.588 ( -0.894 0.033 -0.000) 0.894 8.289 ( 6.622 0.094 0.000) 6.623 8.300 ( 6.285 0.231 0.000) 6.290 9.039 ( -5.267 0.517 -0.000) 5.292 9.067 ( -6.660 0.518 -0.000) 6.680 12.239 ( -0.541 -0.264 -0.000) 0.602 12.256 ( 0.029 0.061 0.000) 0.067 14.060 ( -1.734 -4.038 -0.000) 4.395 14.071 ( -2.093 -2.699 -0.000) 3.415 14.293 ( 2.235 2.101 0.000) 3.067 14.396 ( 0.475 4.956 0.000) 4.978 14.447 ( -1.718 -0.728 -0.000) 1.866 14.776 ( -4.203 -1.226 -0.000) 4.378 ======================= Grid point 267 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 8.713 0.000 0.330) 8.719 1.500 ( 14.349 0.000 0.382) 14.354 1.763 ( 8.189 0.000 -1.000) 8.250 1.792 ( 5.858 0.000 -2.869) 6.523 2.039 ( 3.224 -0.000 3.520) 4.773 2.117 ( -8.290 -0.000 0.572) 8.310 2.263 ( -6.100 -0.000 3.662) 7.115 2.267 ( -8.066 -0.000 -0.084) 8.067 2.397 ( -7.723 -0.000 2.058) 7.993 2.473 ( 1.742 -0.000 1.754) 2.472 2.734 ( -2.776 0.000 -1.859) 3.341 2.737 ( -8.083 -0.000 -1.644) 8.249 2.904 ( -8.040 0.000 -3.954) 8.959 2.907 ( 2.893 0.000 -7.380) 7.927 3.131 ( -1.527 -0.000 2.478) 2.911 3.189 ( 3.432 0.000 -0.392) 3.455 3.233 ( 6.186 -0.000 7.541) 9.754 3.397 ( 4.727 0.000 -0.663) 4.773 3.444 ( 1.242 -0.000 3.985) 4.174 3.539 ( 2.512 0.000 -3.871) 4.615 3.632 ( -1.076 -0.000 -0.262) 1.108 3.683 ( 0.468 0.000 -0.923) 1.035 4.353 ( 37.244 0.000 1.047) 37.258 4.399 ( 35.236 0.000 -1.083) 35.253 4.991 ( -4.808 -0.000 0.412) 4.825 5.012 ( -5.769 -0.000 -0.621) 5.803 5.638 ( -24.671 -0.000 0.019) 24.671 5.649 ( -20.943 -0.000 -0.682) 20.954 5.675 ( 1.922 0.000 0.588) 2.010 5.687 ( -1.044 -0.000 0.140) 1.054 5.822 ( 0.264 -0.000 1.535) 1.557 5.881 ( 2.780 0.000 -1.375) 3.102 7.520 ( 1.122 0.000 0.202) 1.140 7.529 ( 1.288 0.000 -0.198) 1.304 7.593 ( 0.632 -0.000 0.967) 1.155 7.631 ( 0.440 0.000 -0.873) 0.978 8.121 ( -2.005 -0.000 0.484) 2.062 8.140 ( -2.137 -0.000 -0.477) 2.190 9.220 ( 2.451 0.000 0.347) 2.475 9.235 ( 3.512 0.000 -0.389) 3.533 12.239 ( -0.079 -0.000 0.569) 0.574 12.262 ( 0.523 0.000 -0.524) 0.740 14.126 ( 0.084 -0.000 1.352) 1.355 14.163 ( -2.079 -0.000 -0.090) 2.081 14.254 ( 0.699 0.000 0.162) 0.718 14.332 ( 0.098 0.000 -4.011) 4.012 14.608 ( 0.445 -0.000 5.409) 5.427 14.771 ( -0.553 0.000 -3.256) 3.302 ======================= Grid point 271 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.000 15.025 -5.931) 16.153 0.993 ( 0.000 15.025 5.931) 16.153 1.059 ( -0.000 12.038 -12.043) 17.028 1.059 ( 0.000 12.038 12.043) 17.028 1.592 ( -0.000 10.533 -11.910) 15.899 1.592 ( 0.000 10.533 11.910) 15.899 1.784 ( -0.000 3.904 -5.132) 6.448 1.784 ( 0.000 3.904 5.132) 6.448 2.433 ( -0.000 -1.880 -1.704) 2.537 2.433 ( 0.000 -1.880 1.704) 2.537 2.810 ( 0.000 -3.859 -0.103) 3.860 2.810 ( 0.000 -3.859 0.103) 3.860 2.891 ( -0.000 -1.064 -2.215) 2.457 2.891 ( 0.000 -1.064 2.215) 2.457 3.015 ( -0.000 -5.221 -4.914) 7.170 3.015 ( 0.000 -5.221 4.914) 7.170 3.418 ( -0.000 -0.740 -1.465) 1.642 3.418 ( 0.000 -0.740 1.465) 1.642 3.562 ( -0.000 0.398 -2.852) 2.880 3.562 ( 0.000 0.398 2.852) 2.880 3.711 ( -0.000 1.225 -1.888) 2.251 3.711 ( 0.000 1.225 1.888) 2.251 3.928 ( -0.000 -2.309 -3.243) 3.981 3.928 ( 0.000 -2.309 3.243) 3.981 5.298 ( 0.000 -3.308 -0.050) 3.308 5.298 ( 0.000 -3.308 0.050) 3.308 5.333 ( 0.000 -1.721 -0.041) 1.721 5.333 ( 0.000 -1.721 0.041) 1.721 5.546 ( -0.000 0.933 -3.633) 3.751 5.546 ( 0.000 0.933 3.633) 3.751 6.485 ( -0.000 0.544 -1.068) 1.198 6.485 ( 0.000 0.544 1.068) 1.198 7.435 ( 0.000 -0.468 -0.261) 0.536 7.435 ( 0.000 -0.468 0.261) 0.536 7.553 ( -0.000 0.257 -0.433) 0.504 7.553 ( 0.000 0.257 0.433) 0.504 8.492 ( 0.000 0.152 -0.048) 0.160 8.492 ( 0.000 0.152 0.048) 0.160 8.863 ( -0.000 1.282 -0.742) 1.481 8.863 ( 0.000 1.282 0.742) 1.481 12.250 ( -0.000 -0.498 -1.060) 1.171 12.250 ( 0.000 -0.498 1.060) 1.171 14.041 ( -0.000 -1.027 -0.561) 1.170 14.041 ( 0.000 -1.027 0.561) 1.170 14.340 ( 0.000 4.091 -0.003) 4.091 14.340 ( 0.000 4.091 0.003) 4.091 14.493 ( 0.000 -0.529 -0.002) 0.529 14.493 ( 0.000 -0.529 0.002) 0.529 ======================= Grid point 278 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.991 -0.113 5.757) 5.843 1.639 ( -2.085 0.970 0.682) 2.398 1.752 ( -5.134 -0.867 -4.204) 6.692 1.797 ( -3.463 -1.281 -3.312) 4.960 2.078 ( 5.472 0.172 3.055) 6.269 2.166 ( 8.501 0.540 -0.807) 8.556 2.211 ( -0.206 2.229 1.731) 2.830 2.246 ( -1.620 -1.154 4.826) 5.220 2.264 ( 1.643 -0.196 -3.044) 3.464 2.460 ( -1.844 0.150 -5.904) 6.187 2.626 ( -3.330 -0.140 2.366) 4.088 2.733 ( -0.706 -0.065 0.418) 0.823 2.798 ( -0.004 -0.123 0.685) 0.696 2.931 ( 2.112 -0.789 -5.413) 5.864 3.108 ( -1.336 0.435 3.609) 3.873 3.207 ( 0.091 -1.618 -0.656) 1.749 3.363 ( 3.656 1.611 4.520) 6.032 3.444 ( 0.131 0.028 -0.558) 0.574 3.477 ( 0.422 -0.128 1.819) 1.872 3.547 ( 0.296 0.676 -4.104) 4.170 3.603 ( -0.865 2.135 0.375) 2.334 3.690 ( -0.226 -3.006 -1.215) 3.251 4.925 ( 1.287 0.199 0.682) 1.470 4.938 ( -0.503 0.252 -0.112) 0.574 4.986 ( 11.473 -0.070 0.106) 11.473 4.989 ( 3.518 -0.005 -0.066) 3.518 5.140 ( -10.095 -0.054 0.773) 10.125 5.179 ( -5.534 0.078 -1.893) 5.850 5.703 ( -0.030 -0.042 0.455) 0.458 5.710 ( -0.062 -0.106 0.086) 0.150 5.825 ( -0.927 0.279 2.380) 2.569 5.902 ( 0.208 -0.269 -2.320) 2.345 7.536 ( 0.326 0.043 0.222) 0.397 7.541 ( 0.085 -0.002 -0.084) 0.120 7.605 ( 0.225 0.102 0.635) 0.681 7.628 ( -0.313 -0.109 -0.732) 0.803 8.105 ( 0.066 0.054 0.445) 0.454 8.119 ( -0.011 -0.059 -0.415) 0.419 9.243 ( -0.175 0.135 0.768) 0.799 9.269 ( 0.212 -0.143 -0.745) 0.788 12.245 ( 0.313 0.063 0.665) 0.737 12.265 ( 0.155 0.046 -0.650) 0.670 14.116 ( -1.366 0.373 0.507) 1.504 14.140 ( -1.659 -2.655 1.064) 3.306 14.261 ( 0.518 1.201 0.063) 1.310 14.315 ( 0.045 0.205 -3.523) 3.529 14.626 ( 0.319 2.738 4.389) 5.183 14.760 ( -0.017 -1.935 -2.528) 3.184 ======================= Grid point 279 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 9.811 -0.000 0.108) 9.812 1.502 ( 12.272 0.000 0.102) 12.273 1.758 ( 8.714 -0.000 -0.070) 8.714 1.772 ( 6.820 -0.000 -1.670) 7.022 2.070 ( 0.551 0.000 3.450) 3.493 2.115 ( -5.648 -0.000 -0.997) 5.736 2.271 ( -8.252 -0.000 1.057) 8.319 2.284 ( -6.763 0.000 0.975) 6.833 2.417 ( -7.283 0.000 2.551) 7.716 2.469 ( -1.115 -0.000 -2.259) 2.519 2.737 ( 0.101 -0.000 2.479) 2.481 2.751 ( -8.653 0.000 4.096) 9.573 2.840 ( 3.479 0.000 -7.463) 8.234 2.858 ( -7.528 -0.000 -5.979) 9.613 3.153 ( -0.332 0.000 2.430) 2.453 3.184 ( 2.168 0.000 -0.944) 2.365 3.296 ( 6.059 -0.000 6.577) 8.943 3.383 ( 4.890 0.000 -2.651) 5.563 3.473 ( 0.860 -0.000 2.528) 2.671 3.509 ( 1.840 0.000 -2.648) 3.225 3.635 ( -0.697 -0.000 1.102) 1.304 3.669 ( 0.159 0.000 -1.931) 1.937 4.364 ( 36.782 -0.000 1.303) 36.806 4.388 ( 35.718 0.000 -1.320) 35.742 4.996 ( -5.003 0.000 0.539) 5.032 5.007 ( -5.506 -0.000 -0.667) 5.546 5.638 ( -24.014 -0.000 0.126) 24.014 5.643 ( -22.156 -0.000 -0.482) 22.161 5.680 ( 1.460 -0.000 0.544) 1.558 5.687 ( 0.067 -0.000 -0.141) 0.156 5.836 ( 0.714 -0.000 1.727) 1.868 5.867 ( 2.109 -0.000 -1.636) 2.669 7.522 ( 1.163 -0.000 0.237) 1.187 7.527 ( 1.252 0.000 -0.234) 1.273 7.602 ( 0.564 -0.000 1.112) 1.247 7.622 ( 0.464 -0.000 -1.054) 1.152 8.125 ( -2.025 -0.000 0.568) 2.103 8.136 ( -2.094 -0.000 -0.564) 2.169 9.224 ( 2.716 -0.000 0.419) 2.748 9.232 ( 3.274 -0.000 -0.445) 3.305 12.245 ( 0.062 0.000 0.657) 0.660 12.257 ( 0.378 0.000 -0.630) 0.734 14.139 ( -0.245 0.000 1.463) 1.483 14.160 ( -1.414 -0.000 -0.715) 1.584 14.260 ( 0.424 -0.000 1.156) 1.231 14.300 ( 0.069 0.000 -3.239) 3.239 14.655 ( 0.315 0.000 5.119) 5.129 14.738 ( -0.208 0.000 -4.051) 4.057 ======================= Grid point 289 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -7.365 0.633 1.653) 7.575 1.559 ( -7.118 -0.771 2.108) 7.463 1.668 ( -5.190 -0.854 -0.189) 5.263 1.728 ( -4.308 -1.589 -1.994) 5.006 2.150 ( -2.264 2.796 4.000) 5.380 2.207 ( 6.939 2.676 -0.551) 7.457 2.272 ( 4.613 1.408 -1.839) 5.162 2.306 ( 0.222 -1.790 -3.500) 3.937 2.390 ( 8.594 1.444 0.887) 8.760 2.444 ( 6.814 0.873 -5.685) 8.917 2.634 ( 1.695 -2.329 4.613) 5.439 2.710 ( 0.040 -2.353 -2.719) 3.596 2.876 ( 3.888 -0.257 4.598) 6.027 2.950 ( 1.444 -0.974 -3.508) 3.917 3.130 ( 2.770 0.605 4.460) 5.285 3.228 ( 0.334 -1.776 0.150) 1.813 3.364 ( -2.963 2.713 1.516) 4.294 3.412 ( -3.017 -0.337 0.927) 3.174 3.477 ( -0.677 0.499 -0.943) 1.263 3.494 ( -2.590 3.682 -2.929) 5.370 3.572 ( -2.018 -0.516 -0.546) 2.153 3.688 ( -2.487 -2.950 -0.502) 3.891 4.446 ( -34.085 1.040 0.115) 34.101 4.451 ( -33.701 1.071 -0.204) 33.719 4.960 ( 3.950 0.113 0.545) 3.989 4.982 ( 4.632 -0.450 -0.424) 4.673 5.599 ( 24.324 -0.518 0.163) 24.330 5.607 ( 22.459 -0.602 -0.706) 22.479 5.676 ( -3.155 -0.087 0.256) 3.166 5.682 ( -2.381 -0.243 -0.019) 2.393 5.812 ( -0.420 0.178 3.036) 3.070 5.878 ( -1.113 -0.290 -2.564) 2.810 7.531 ( -0.871 0.165 0.158) 0.901 7.533 ( -0.849 0.043 0.056) 0.852 7.600 ( -0.553 0.537 -0.127) 0.781 7.619 ( -0.670 -0.556 -0.056) 0.872 8.126 ( 2.165 0.207 0.261) 2.190 8.138 ( 2.123 -0.174 -0.239) 2.143 9.220 ( -2.591 0.097 0.920) 2.751 9.241 ( -2.797 -0.066 -0.861) 2.927 12.251 ( 0.199 0.295 0.271) 0.447 12.261 ( -0.312 0.053 -0.310) 0.443 14.093 ( -1.545 -1.265 0.510) 2.061 14.136 ( -2.101 -3.878 0.972) 4.516 14.255 ( 0.435 2.406 -0.429) 2.482 14.305 ( 0.593 0.307 -2.197) 2.296 14.617 ( -0.032 4.333 2.419) 4.963 14.775 ( 0.279 -2.989 -1.146) 3.213 ======================= Grid point 290 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.524 2.137 0.684) 2.304 1.661 ( 4.917 0.182 2.383) 5.467 1.733 ( -8.811 -1.816 0.600) 9.016 1.763 ( -5.159 -1.860 -4.002) 6.789 2.110 ( 4.546 0.736 3.730) 5.927 2.147 ( 6.365 0.195 -2.973) 7.027 2.218 ( 2.529 1.588 0.381) 3.010 2.242 ( 2.152 -0.825 -1.501) 2.751 2.305 ( -3.357 1.002 7.208) 8.015 2.392 ( -3.362 -0.758 -7.932) 8.648 2.666 ( -3.171 -0.011 5.271) 6.151 2.714 ( -3.095 -0.426 -4.067) 5.129 2.826 ( 3.651 -0.194 5.047) 6.232 2.879 ( 3.203 -0.684 -6.012) 6.846 3.137 ( -0.482 2.147 2.234) 3.136 3.197 ( -0.306 -3.260 -1.098) 3.453 3.397 ( 2.491 2.383 2.727) 4.395 3.437 ( 0.839 -0.718 -0.952) 1.458 3.492 ( -0.149 0.101 1.709) 1.718 3.514 ( 0.035 0.502 -3.015) 3.056 3.609 ( -0.775 3.140 0.673) 3.303 3.680 ( -0.203 -4.039 -0.859) 4.134 4.931 ( 0.930 0.403 0.433) 1.102 4.937 ( -0.245 0.098 -0.217) 0.341 4.987 ( 9.107 -0.047 0.135) 9.108 4.989 ( 6.005 -0.027 -0.112) 6.006 5.149 ( -8.555 0.074 1.134) 8.630 5.163 ( -7.090 -0.141 -1.565) 7.262 5.707 ( -0.049 -0.030 0.351) 0.355 5.709 ( -0.075 -0.088 -0.158) 0.196 5.846 ( -0.325 1.070 1.989) 2.282 5.882 ( -0.313 -1.041 -1.956) 2.238 7.537 ( 0.261 0.090 0.173) 0.326 7.540 ( 0.232 -0.037 -0.123) 0.265 7.611 ( -0.078 0.338 0.548) 0.649 7.622 ( -0.093 -0.354 -0.583) 0.688 8.108 ( 0.041 0.198 0.360) 0.413 8.115 ( 0.017 -0.200 -0.348) 0.402 9.250 ( 0.043 0.415 0.599) 0.730 9.262 ( 0.015 -0.421 -0.590) 0.725 12.251 ( 0.243 0.219 0.612) 0.694 12.259 ( 0.211 -0.109 -0.606) 0.651 14.120 ( -1.360 0.546 0.220) 1.481 14.147 ( -1.567 -2.958 0.434) 3.375 14.265 ( 0.267 1.600 0.642) 1.745 14.290 ( 0.215 -0.115 -1.933) 1.949 14.658 ( 0.291 4.429 2.276) 4.988 14.739 ( 0.069 -3.577 -1.649) 3.939 ======================= Grid point 291 (117/171) ======================= q-point: ( 0.50 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 10.827 -0.029 0.000) 10.827 1.502 ( 10.827 0.029 0.000) 10.827 1.761 ( 8.096 -0.640 0.000) 8.122 1.761 ( 8.096 0.640 0.000) 8.122 2.098 ( -2.497 -1.226 0.000) 2.782 2.098 ( -2.497 1.226 0.000) 2.782 2.282 ( -7.756 -0.071 0.000) 7.756 2.282 ( -7.756 0.071 0.000) 7.756 2.443 ( -4.961 -0.959 0.000) 5.052 2.443 ( -4.961 0.959 0.000) 5.052 2.774 ( 0.269 -0.030 0.000) 0.271 2.774 ( 0.269 0.030 0.000) 0.271 2.803 ( -5.627 -0.533 0.000) 5.653 2.803 ( -5.627 0.533 0.000) 5.653 3.172 ( 0.943 -2.537 0.000) 2.707 3.172 ( 0.943 2.537 0.000) 2.707 3.348 ( 5.548 -1.352 0.000) 5.710 3.348 ( 5.548 1.352 0.000) 5.710 3.491 ( 1.027 -0.001 0.000) 1.027 3.491 ( 1.027 0.001 0.000) 1.027 3.651 ( -0.217 -1.917 0.000) 1.929 3.651 ( -0.217 1.917 0.000) 1.929 4.376 ( 36.253 -0.000 0.000) 36.253 4.376 ( 36.253 0.000 0.000) 36.253 5.001 ( -5.241 -0.107 -0.000) 5.242 5.001 ( -5.241 0.107 -0.000) 5.242 5.640 ( -23.188 -0.162 -0.000) 23.189 5.640 ( -23.188 0.162 -0.000) 23.189 5.685 ( 0.877 -0.002 0.000) 0.877 5.685 ( 0.877 0.002 0.000) 0.877 5.852 ( 1.378 -1.278 0.000) 1.879 5.852 ( 1.378 1.278 0.000) 1.879 7.525 ( 1.208 -0.005 0.000) 1.208 7.525 ( 1.208 0.005 0.000) 1.208 7.612 ( 0.506 -0.030 0.000) 0.507 7.612 ( 0.506 0.030 0.000) 0.507 8.130 ( -2.055 -0.097 0.000) 2.057 8.130 ( -2.055 0.097 0.000) 2.057 9.228 ( 3.001 -0.555 0.000) 3.052 9.228 ( 3.001 0.555 0.000) 3.052 12.251 ( 0.219 -0.033 0.000) 0.222 12.251 ( 0.219 0.033 0.000) 0.222 14.151 ( -0.744 -1.293 0.000) 1.492 14.151 ( -0.744 1.293 0.000) 1.492 14.275 ( 0.169 -0.334 0.000) 0.374 14.275 ( 0.169 0.334 0.000) 0.374 14.699 ( 0.093 -3.090 0.000) 3.092 14.699 ( 0.093 3.090 0.000) 3.092 ======================= Grid point 300 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -6.135 4.745 1.539) 7.907 1.414 ( -6.224 5.607 -1.741) 8.556 1.567 ( -3.432 -0.803 -0.101) 3.526 1.678 ( -2.361 -3.181 0.763) 4.034 2.048 ( -6.404 4.318 1.513) 7.870 2.192 ( -7.325 -1.467 -2.439) 7.859 2.348 ( 7.268 1.609 0.976) 7.507 2.373 ( 5.199 2.001 -2.271) 6.016 2.519 ( 6.286 1.208 2.101) 6.738 2.563 ( 6.793 0.380 -2.647) 7.300 2.721 ( -0.485 -4.510 0.581) 4.573 2.769 ( 4.118 -4.416 -0.338) 6.047 2.942 ( 2.065 -0.208 -0.105) 2.078 2.986 ( 1.858 -1.812 -0.296) 2.612 3.146 ( -16.170 0.595 3.464) 16.548 3.225 ( -4.323 2.393 -1.240) 5.095 3.263 ( -1.421 3.781 4.686) 6.186 3.335 ( -6.211 2.509 2.233) 7.061 3.380 ( -0.560 -0.118 -2.395) 2.462 3.403 ( -4.858 -1.173 -3.968) 6.381 3.529 ( -3.904 -3.145 -0.607) 5.049 3.651 ( -2.272 -1.628 -0.294) 2.811 3.885 ( -17.520 3.575 0.132) 17.881 3.936 ( -15.915 1.610 -0.039) 15.997 5.061 ( 6.130 -0.031 0.149) 6.132 5.099 ( 6.602 -1.179 -0.081) 6.707 5.586 ( -6.364 -0.250 -0.003) 6.369 5.603 ( -5.378 -0.436 0.088) 5.396 5.734 ( -4.301 -1.001 3.173) 5.438 5.767 ( -3.056 -0.607 -3.359) 4.581 6.040 ( 17.572 -0.066 0.170) 17.573 6.056 ( 16.831 -0.561 0.072) 16.841 7.504 ( -1.921 0.216 0.235) 1.947 7.510 ( -1.396 0.149 -0.162) 1.413 7.582 ( -0.782 0.509 -0.096) 0.938 7.608 ( -1.043 -0.528 0.036) 1.169 8.186 ( 4.500 0.340 0.052) 4.514 8.199 ( 4.377 -0.204 -0.037) 4.382 9.155 ( -4.745 0.171 0.892) 4.831 9.162 ( -4.885 0.205 -0.861) 4.965 12.249 ( -0.777 0.132 -0.034) 0.789 12.252 ( 0.115 0.161 -0.021) 0.199 14.083 ( -1.417 -2.718 0.352) 3.085 14.128 ( -2.747 -4.497 0.463) 5.290 14.244 ( 1.084 2.541 -0.382) 2.789 14.314 ( 1.473 0.822 -0.875) 1.900 14.576 ( -1.330 4.820 0.808) 5.065 14.798 ( -0.412 -3.329 -0.183) 3.359 ======================= Grid point 301 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -7.113 1.335 -0.000) 7.237 1.566 ( -8.368 -1.311 -0.000) 8.470 1.672 ( -4.986 0.132 -0.000) 4.987 1.716 ( -3.445 -2.811 -0.000) 4.446 2.169 ( 0.789 3.678 0.000) 3.762 2.211 ( 3.417 3.663 0.000) 5.009 2.263 ( 5.336 1.006 0.000) 5.430 2.284 ( -2.166 -2.963 -0.000) 3.670 2.404 ( 8.778 0.640 0.000) 8.802 2.408 ( 8.364 1.530 0.000) 8.503 2.670 ( 1.937 -1.958 -0.000) 2.755 2.685 ( -0.264 -3.018 -0.000) 3.029 2.909 ( 1.956 -0.264 0.000) 1.973 2.921 ( 3.275 -1.007 0.000) 3.426 3.155 ( 4.067 1.801 0.000) 4.448 3.225 ( 0.544 -2.772 -0.000) 2.825 3.370 ( -3.341 2.748 0.000) 4.326 3.416 ( -2.893 -0.219 -0.000) 2.901 3.472 ( -1.591 4.528 0.000) 4.800 3.480 ( -2.436 -0.598 -0.000) 2.508 3.570 ( -2.207 -0.083 -0.000) 2.208 3.685 ( -2.451 -3.187 -0.000) 4.021 4.447 ( -34.476 1.052 -0.000) 34.492 4.450 ( -33.315 1.064 -0.000) 33.332 4.963 ( 4.001 0.329 0.000) 4.015 4.980 ( 4.585 -0.674 0.000) 4.634 5.600 ( 23.980 -0.453 0.000) 23.984 5.603 ( 22.768 -0.692 0.000) 22.778 5.678 ( -3.341 -0.045 -0.000) 3.342 5.682 ( -2.255 -0.274 -0.000) 2.272 5.831 ( -0.214 0.917 0.000) 0.942 5.861 ( -1.172 -0.997 -0.000) 1.539 7.531 ( -0.746 0.192 -0.000) 0.770 7.534 ( -0.965 0.027 -0.000) 0.965 7.600 ( -0.631 0.589 0.000) 0.864 7.619 ( -0.599 -0.614 -0.000) 0.858 8.127 ( 2.147 0.307 0.000) 2.168 8.136 ( 2.141 -0.273 0.000) 2.159 9.226 ( -2.436 0.304 -0.000) 2.455 9.235 ( -2.943 -0.270 -0.000) 2.955 12.253 ( 0.115 0.422 0.000) 0.437 12.260 ( -0.243 -0.074 -0.000) 0.254 14.096 ( -1.462 -1.165 -0.000) 1.869 14.141 ( -2.213 -4.175 -0.000) 4.725 14.253 ( 0.307 2.605 0.000) 2.623 14.295 ( 0.771 0.249 0.000) 0.810 14.628 ( -0.051 4.924 0.000) 4.925 14.769 ( 0.315 -3.530 -0.000) 3.544 ======================= Grid point 310 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -11.799 12.429 0.000) 17.138 1.281 ( -4.494 11.727 0.000) 12.558 1.532 ( -0.725 4.800 0.000) 4.854 1.686 ( -0.141 -3.917 -0.000) 3.920 1.875 ( -7.739 5.853 0.000) 9.703 2.022 ( -11.089 0.161 -0.000) 11.090 2.442 ( 4.735 0.268 0.000) 4.742 2.455 ( -0.161 -0.663 -0.000) 0.682 2.460 ( -29.980 6.939 -0.000) 30.773 2.468 ( -23.379 1.628 -0.000) 23.436 2.678 ( 5.180 -3.963 -0.000) 6.522 2.697 ( -7.123 -1.132 -0.000) 7.212 2.884 ( -7.761 -0.080 -0.000) 7.761 2.949 ( 6.804 -4.462 -0.000) 8.137 3.002 ( 0.198 -1.251 -0.000) 1.266 3.003 ( -1.119 -0.680 -0.000) 1.310 3.307 ( 2.818 -0.271 0.000) 2.831 3.364 ( 3.226 2.013 0.000) 3.803 3.389 ( 2.245 0.797 0.000) 2.382 3.409 ( 3.135 -1.598 -0.000) 3.519 3.501 ( 0.436 -1.708 -0.000) 1.763 3.628 ( -2.404 -2.986 -0.000) 3.834 3.807 ( 7.652 3.416 0.000) 8.379 3.809 ( 0.430 2.081 0.000) 2.125 5.174 ( 5.264 -0.519 0.000) 5.290 5.225 ( 5.297 -1.451 0.000) 5.492 5.456 ( -7.622 -1.129 -0.000) 7.705 5.493 ( -6.732 -1.223 -0.000) 6.842 5.627 ( -7.171 0.068 -0.000) 7.171 5.707 ( -3.140 -1.246 -0.000) 3.378 6.310 ( 10.903 -0.402 0.000) 10.910 6.315 ( 10.048 -0.575 0.000) 10.064 7.463 ( -2.087 0.337 -0.000) 2.114 7.481 ( -1.591 -0.033 -0.000) 1.591 7.564 ( -0.724 0.412 0.000) 0.833 7.590 ( -1.062 -0.310 -0.000) 1.106 8.289 ( 6.664 0.360 0.000) 6.674 8.301 ( 6.230 -0.076 0.000) 6.230 9.044 ( -6.396 0.914 -0.000) 6.461 9.058 ( -6.054 0.213 -0.000) 6.058 12.233 ( -0.772 0.129 -0.000) 0.783 12.256 ( 0.279 -0.373 -0.000) 0.465 14.084 ( -1.299 -3.563 -0.000) 3.792 14.104 ( -3.160 -3.205 -0.000) 4.501 14.265 ( 2.777 0.837 0.000) 2.900 14.335 ( 1.871 1.651 0.000) 2.495 14.499 ( -2.893 4.834 0.000) 5.633 14.796 ( -3.218 -3.602 -0.000) 4.831 ======================= Grid point 320 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 18.178 0.000) 18.178 1.070 ( 0.000 18.515 0.000) 18.515 1.442 ( 0.000 11.569 0.000) 11.569 1.528 ( 0.000 24.933 0.000) 24.933 1.665 ( 0.000 2.975 0.000) 2.975 1.677 ( 0.000 15.223 0.000) 15.223 1.682 ( -0.000 -11.068 -0.000) 11.068 1.856 ( 0.000 3.577 0.000) 3.577 2.587 ( 0.000 1.152 0.000) 1.152 2.619 ( -0.000 -7.396 -0.000) 7.396 2.622 ( -0.000 -9.687 -0.000) 9.687 2.647 ( 0.000 0.769 0.000) 0.769 2.822 ( 0.000 2.677 0.000) 2.677 2.929 ( -0.000 -0.864 -0.000) 0.864 2.970 ( -0.000 -4.135 -0.000) 4.135 3.205 ( -0.000 -8.393 -0.000) 8.393 3.318 ( 0.000 1.284 0.000) 1.284 3.389 ( -0.000 -1.845 -0.000) 1.845 3.503 ( -0.000 -0.818 -0.000) 0.818 3.518 ( 0.000 0.988 0.000) 0.988 3.569 ( 0.000 0.761 0.000) 0.761 3.615 ( -0.000 -0.879 -0.000) 0.879 3.871 ( 0.000 1.690 0.000) 1.690 4.140 ( -0.000 -5.060 -0.000) 5.060 5.250 ( -0.000 -2.968 -0.000) 2.968 5.266 ( -0.000 -3.897 -0.000) 3.897 5.292 ( -0.000 -0.788 -0.000) 0.788 5.304 ( -0.000 -0.963 -0.000) 0.963 5.502 ( 0.000 2.083 0.000) 2.083 5.635 ( -0.000 -1.844 -0.000) 1.844 6.468 ( 0.000 1.204 0.000) 1.204 6.499 ( -0.000 -0.249 -0.000) 0.249 7.416 ( 0.000 0.338 0.000) 0.338 7.436 ( -0.000 -0.278 -0.000) 0.278 7.548 ( 0.000 0.331 0.000) 0.331 7.572 ( -0.000 -0.376 -0.000) 0.376 8.494 ( 0.000 0.219 0.000) 0.219 8.497 ( 0.000 0.128 0.000) 0.128 8.863 ( 0.000 1.410 0.000) 1.410 8.871 ( 0.000 0.540 0.000) 0.540 12.219 ( 0.000 0.097 0.000) 0.097 12.264 ( -0.000 -1.109 -0.000) 1.109 14.019 ( -0.000 -1.652 -0.000) 1.652 14.055 ( -0.000 -3.469 -0.000) 3.469 14.393 ( 0.000 3.231 0.000) 3.231 14.403 ( 0.000 4.219 0.000) 4.219 14.498 ( 0.000 0.299 0.000) 0.299 14.506 ( -0.000 -0.294 -0.000) 0.294 ======================= Grid point 321 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -9.197 14.831 1.454) 17.512 1.326 ( -6.125 16.769 1.153) 17.890 1.598 ( -1.176 -2.164 -5.135) 5.695 1.636 ( -0.413 6.854 2.888) 7.449 1.755 ( -11.349 0.551 0.161) 11.364 1.823 ( -11.780 7.926 0.503) 14.207 1.926 ( -19.139 7.346 1.625) 20.564 2.016 ( -16.506 6.078 0.659) 17.602 2.486 ( 2.898 -3.115 -5.797) 7.190 2.532 ( 2.925 -4.568 4.326) 6.938 2.627 ( -2.004 -1.890 -4.573) 5.338 2.678 ( -1.299 -4.447 3.969) 6.101 2.835 ( 0.547 1.384 0.212) 1.503 2.933 ( -1.152 -1.359 -0.729) 1.925 2.966 ( -2.274 -0.336 0.418) 2.337 3.083 ( 5.495 -5.576 -0.542) 7.847 3.333 ( -0.132 0.979 -1.939) 2.176 3.398 ( -0.798 -1.275 -0.213) 1.519 3.439 ( 4.730 0.331 1.801) 5.072 3.479 ( 4.106 -0.351 1.053) 4.253 3.549 ( 2.826 -0.395 -1.828) 3.389 3.599 ( 0.843 -1.313 3.231) 3.588 3.859 ( 2.358 1.665 -0.359) 2.909 3.989 ( 9.236 -2.403 -1.101) 9.606 5.242 ( 1.725 -0.626 0.118) 1.839 5.279 ( 1.234 -1.569 0.127) 2.000 5.312 ( -5.306 -1.604 -0.195) 5.547 5.332 ( -7.139 -2.827 -0.194) 7.681 5.539 ( -2.756 2.153 -0.261) 3.507 5.642 ( -2.374 -1.829 0.270) 3.009 6.441 ( 4.128 0.271 -0.278) 4.146 6.453 ( 4.799 -0.282 0.281) 4.816 7.432 ( -1.334 0.343 -0.014) 1.378 7.449 ( -1.457 -0.323 0.034) 1.493 7.555 ( -0.472 0.368 -0.016) 0.599 7.573 ( -0.531 -0.320 -0.036) 0.621 8.422 ( 6.624 0.211 -0.079) 6.628 8.424 ( 6.311 0.147 0.066) 6.313 8.936 ( -5.614 1.005 0.071) 5.704 8.943 ( -5.901 0.372 0.080) 5.913 12.224 ( -0.354 0.241 0.065) 0.433 12.254 ( 0.066 -0.890 -0.023) 0.893 14.027 ( -2.013 -2.447 -0.284) 3.181 14.037 ( -0.897 -2.959 -0.151) 3.096 14.360 ( 5.852 2.055 -0.107) 6.203 14.385 ( 2.119 1.611 0.529) 2.714 14.479 ( -3.121 4.825 -0.251) 5.751 14.662 ( -7.585 -3.032 -0.199) 8.171 ======================= Grid point 322 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -8.452 10.300 0.045) 13.324 1.461 ( 1.727 9.031 1.952) 9.400 1.566 ( 0.793 -1.969 -3.832) 4.380 1.629 ( 2.910 -0.792 2.986) 4.244 1.939 ( -7.311 3.216 -2.479) 8.363 2.048 ( -8.874 0.242 4.909) 10.144 2.416 ( 1.593 0.453 -4.123) 4.444 2.467 ( -4.047 0.341 1.363) 4.284 2.486 ( -25.154 1.597 -1.199) 25.233 2.533 ( -16.565 -0.405 2.575) 16.768 2.612 ( -4.163 -3.562 -2.706) 6.110 2.686 ( -0.682 -0.032 3.859) 3.919 2.874 ( -7.023 -0.325 -1.422) 7.173 2.897 ( 2.024 -1.835 -1.531) 3.131 2.985 ( 0.424 -0.198 -0.568) 0.736 3.033 ( -2.845 0.932 4.713) 5.583 3.293 ( 1.727 0.471 -3.727) 4.134 3.330 ( 4.664 0.647 -7.546) 8.895 3.368 ( 4.302 -2.029 -1.111) 4.884 3.440 ( 0.233 0.463 4.102) 4.135 3.510 ( 0.654 0.475 3.274) 3.373 3.596 ( -0.832 -3.020 3.762) 4.896 3.817 ( 2.132 1.268 -2.740) 3.696 3.853 ( 2.463 1.162 0.925) 2.876 5.171 ( 5.239 0.217 -0.232) 5.248 5.204 ( 5.168 -1.135 0.374) 5.305 5.442 ( -8.388 -0.462 -0.137) 8.402 5.466 ( -8.215 -1.724 -0.356) 8.401 5.622 ( -4.831 0.422 -2.820) 5.610 5.703 ( -4.404 -0.771 3.060) 5.418 6.300 ( 10.612 -0.202 -0.751) 10.640 6.312 ( 10.651 -0.313 0.450) 10.665 7.467 ( -1.991 0.265 -0.296) 2.030 7.479 ( -1.874 -0.172 0.243) 1.898 7.570 ( -0.818 0.389 -0.103) 0.911 7.585 ( -0.930 -0.349 0.089) 0.997 8.294 ( 6.616 0.247 -0.117) 6.622 8.300 ( 6.394 -0.031 0.084) 6.394 9.054 ( -5.782 0.423 -0.373) 5.810 9.063 ( -6.161 0.218 0.399) 6.178 12.236 ( -0.739 0.265 -0.040) 0.786 12.251 ( -0.193 -0.363 0.172) 0.446 14.033 ( -1.478 -2.283 -0.977) 2.890 14.050 ( -2.232 -2.633 -0.035) 3.452 14.303 ( 2.723 2.755 0.630) 3.925 14.353 ( 2.035 -0.046 1.048) 2.290 14.572 ( -2.612 4.887 -1.659) 5.784 14.736 ( -3.518 -3.945 0.472) 5.307 ======================= Grid point 323 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.184 1.355 -2.852) 3.163 1.494 ( -0.956 2.540 -1.623) 3.163 1.565 ( -3.397 -0.115 1.701) 3.801 1.639 ( -5.183 -1.260 2.163) 5.756 2.065 ( -5.498 1.225 -3.838) 6.816 2.217 ( -6.573 -0.245 5.002) 8.264 2.358 ( 4.363 0.720 -1.422) 4.645 2.420 ( 5.864 0.397 3.667) 6.928 2.527 ( 4.245 1.898 -1.582) 4.912 2.615 ( 5.535 1.854 3.195) 6.654 2.662 ( 4.757 -2.579 1.959) 5.755 2.708 ( 0.060 -3.259 0.687) 3.331 2.935 ( 3.308 -0.385 -0.754) 3.415 2.969 ( 0.371 -0.842 1.495) 1.756 3.125 ( -12.768 1.705 -6.174) 14.284 3.189 ( 4.860 -0.870 -6.891) 8.477 3.297 ( -6.545 1.377 -2.960) 7.314 3.308 ( -7.364 -1.104 -4.276) 8.587 3.363 ( -12.088 -0.014 3.899) 12.701 3.482 ( -1.916 -0.171 4.843) 5.211 3.551 ( -1.253 3.717 3.731) 5.413 3.618 ( -2.446 -3.497 1.857) 4.654 3.920 ( -18.110 1.370 -1.203) 18.201 3.953 ( -15.122 0.445 0.421) 15.134 5.058 ( 6.267 0.029 -0.951) 6.339 5.090 ( 6.331 -0.362 0.896) 6.404 5.585 ( -6.428 0.166 -0.132) 6.432 5.592 ( -6.140 -0.596 -0.200) 6.172 5.691 ( -4.138 -0.461 -3.399) 5.375 5.795 ( -2.835 -0.105 3.969) 4.879 6.036 ( 16.748 0.078 -0.725) 16.763 6.047 ( 17.338 -0.324 -0.062) 17.341 7.503 ( -1.817 0.069 -0.451) 1.873 7.513 ( -1.498 0.044 0.224) 1.516 7.591 ( -1.031 0.408 0.046) 1.110 7.600 ( -0.823 -0.413 0.101) 0.927 8.188 ( 4.566 0.111 -0.306) 4.578 8.199 ( 4.387 -0.049 0.272) 4.396 9.148 ( -4.432 0.054 -0.875) 4.518 9.172 ( -4.907 0.075 0.769) 4.967 12.252 ( -0.604 0.146 0.083) 0.627 12.254 ( -0.234 -0.001 0.061) 0.242 14.046 ( -1.922 -1.124 -1.384) 2.622 14.072 ( -2.026 -1.654 -0.188) 2.622 14.290 ( 1.373 1.945 0.704) 2.482 14.328 ( 0.918 -0.575 2.460) 2.688 14.624 ( -0.867 3.008 -4.168) 5.212 14.756 ( -1.089 -2.422 2.201) 3.450 ======================= Grid point 324 (125/171) ======================= q-point: ( 0.70 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -8.006 -0.000 -2.514) 8.392 1.518 ( -3.977 0.000 -5.110) 6.475 1.676 ( -6.157 -0.000 3.267) 6.970 1.742 ( -4.171 -0.000 2.346) 4.786 2.123 ( -2.878 0.000 -5.581) 6.279 2.239 ( 8.592 0.000 1.702) 8.759 2.308 ( 0.972 -0.000 1.316) 1.636 2.326 ( 6.356 -0.000 6.005) 8.744 2.407 ( 8.940 0.000 0.499) 8.954 2.491 ( 5.418 0.000 0.969) 5.504 2.596 ( 0.855 -0.000 2.588) 2.726 2.711 ( -1.159 -0.000 1.370) 1.795 2.829 ( 4.633 0.000 -5.815) 7.435 2.969 ( 0.473 -0.000 2.587) 2.629 3.087 ( 1.500 0.000 -4.455) 4.701 3.205 ( -0.509 0.000 -2.050) 2.112 3.359 ( -2.999 0.000 -4.254) 5.205 3.398 ( -4.686 -0.000 -0.810) 4.755 3.494 ( 1.686 -0.000 1.477) 2.242 3.552 ( -2.851 -0.000 4.299) 5.159 3.595 ( -0.768 -0.000 0.748) 1.072 3.658 ( -2.438 -0.000 1.291) 2.759 4.454 ( -33.456 -0.000 -0.137) 33.456 4.462 ( -33.792 -0.000 0.251) 33.793 4.953 ( 3.731 0.000 -0.871) 3.832 4.985 ( 4.582 0.000 0.706) 4.636 5.594 ( 24.977 0.000 0.005) 24.977 5.611 ( 21.777 0.000 1.094) 21.804 5.672 ( -3.010 -0.000 -0.383) 3.034 5.680 ( -2.647 -0.000 -0.083) 2.648 5.782 ( -0.548 0.000 -3.458) 3.501 5.901 ( -1.219 -0.000 2.508) 2.788 7.530 ( -1.155 -0.000 -0.275) 1.187 7.533 ( -0.544 -0.000 -0.094) 0.552 7.606 ( -0.093 0.000 -0.082) 0.124 7.616 ( -1.125 -0.000 0.386) 1.189 8.124 ( 2.219 0.000 -0.396) 2.254 8.139 ( 2.095 0.000 0.357) 2.125 9.211 ( -2.678 0.000 -0.949) 2.841 9.248 ( -2.687 -0.000 0.846) 2.817 12.250 ( 0.366 0.000 -0.361) 0.514 12.266 ( -0.411 -0.000 0.421) 0.588 14.076 ( -2.366 0.000 -1.391) 2.745 14.098 ( -1.501 -0.000 -0.406) 1.555 14.279 ( 0.838 -0.000 0.337) 0.903 14.333 ( 0.100 -0.000 3.904) 3.906 14.619 ( 0.087 0.000 -5.310) 5.311 14.766 ( 0.041 -0.000 2.675) 2.675 ======================= Grid point 332 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 17.046 5.415) 17.886 1.079 ( 0.000 18.294 2.036) 18.407 1.422 ( -0.000 13.201 -3.622) 13.689 1.557 ( 0.000 22.700 5.477) 23.352 1.599 ( -0.000 2.783 -9.955) 10.337 1.674 ( 0.000 3.247 2.117) 3.876 1.735 ( 0.000 1.674 4.721) 5.008 1.870 ( 0.000 3.952 2.966) 4.941 2.531 ( -0.000 -2.617 -7.972) 8.391 2.581 ( -0.000 -4.234 -5.823) 7.199 2.667 ( 0.000 -6.134 5.598) 8.305 2.676 ( 0.000 -2.481 3.907) 4.628 2.828 ( 0.000 2.783 1.362) 3.099 2.929 ( -0.000 -1.453 -0.701) 1.613 2.952 ( -0.000 -3.049 -3.030) 4.299 3.182 ( -0.000 -7.253 -4.733) 8.661 3.328 ( 0.000 0.362 1.863) 1.898 3.399 ( 0.000 -2.102 1.705) 2.706 3.517 ( 0.000 1.609 -0.009) 1.609 3.518 ( 0.000 -1.032 3.271) 3.430 3.581 ( 0.000 0.157 2.600) 2.605 3.616 ( 0.000 -0.905 0.208) 0.929 3.872 ( 0.000 1.276 0.064) 1.277 4.123 ( -0.000 -4.719 -3.601) 5.936 5.249 ( -0.000 -2.982 -0.193) 2.989 5.263 ( -0.000 -3.723 -0.600) 3.771 5.295 ( 0.000 -0.917 0.543) 1.066 5.306 ( 0.000 -0.971 0.409) 1.054 5.503 ( 0.000 2.093 0.222) 2.105 5.631 ( -0.000 -1.722 -0.829) 1.911 6.469 ( 0.000 1.146 0.270) 1.177 6.499 ( 0.000 -0.264 0.068) 0.273 7.417 ( 0.000 0.282 0.201) 0.347 7.435 ( -0.000 -0.280 -0.047) 0.284 7.548 ( 0.000 0.322 0.056) 0.327 7.570 ( -0.000 -0.332 -0.246) 0.413 8.494 ( 0.000 0.215 0.007) 0.215 8.497 ( -0.000 0.129 -0.030) 0.132 8.864 ( 0.000 1.381 0.219) 1.398 8.873 ( 0.000 0.498 0.337) 0.601 12.220 ( 0.000 0.068 0.261) 0.269 12.263 ( -0.000 -1.078 -0.236) 1.104 14.019 ( -0.000 -1.672 -0.131) 1.677 14.051 ( -0.000 -3.298 -0.787) 3.390 14.393 ( 0.000 3.246 0.055) 3.246 14.404 ( 0.000 4.214 0.154) 4.217 14.497 ( -0.000 0.309 -0.075) 0.318 14.504 ( -0.000 -0.259 -0.407) 0.482 ======================= Grid point 333 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -8.489 13.350 3.951) 16.306 1.346 ( -6.572 16.468 3.223) 18.021 1.541 ( -1.255 -1.001 -7.354) 7.527 1.655 ( -2.937 8.290 1.307) 8.891 1.760 ( -9.518 0.329 1.130) 9.590 1.832 ( -13.348 7.180 1.369) 15.218 1.950 ( -17.878 6.855 3.418) 19.450 2.027 ( -14.448 5.770 1.615) 15.641 2.431 ( 2.018 -2.484 -6.145) 6.928 2.549 ( -1.303 -7.619 -2.350) 8.079 2.598 ( 2.219 0.223 0.079) 2.231 2.711 ( -1.023 -4.096 3.281) 5.347 2.835 ( 0.553 0.424 -0.475) 0.843 2.922 ( -1.556 -0.894 -1.510) 2.345 2.976 ( -3.067 0.477 1.730) 3.553 3.073 ( 3.873 -4.950 -1.654) 6.499 3.308 ( 2.207 0.436 -3.061) 3.798 3.392 ( 2.106 -1.267 -1.236) 2.751 3.460 ( 4.908 0.947 1.929) 5.358 3.500 ( 2.999 -0.286 3.948) 4.967 3.537 ( 2.631 -1.390 -0.363) 2.998 3.636 ( -0.324 -1.010 4.463) 4.588 3.853 ( 2.610 1.021 -1.062) 2.997 3.970 ( 8.360 -2.181 -3.062) 9.166 5.244 ( 1.779 -0.559 0.329) 1.894 5.281 ( 1.289 -1.490 0.343) 1.999 5.309 ( -5.701 -1.910 -0.492) 6.032 5.329 ( -6.605 -2.528 -0.554) 7.093 5.535 ( -2.173 1.699 -0.604) 2.824 5.646 ( -3.211 -1.350 0.635) 3.541 6.437 ( 4.527 0.234 -0.448) 4.555 6.457 ( 4.557 -0.294 0.453) 4.589 7.432 ( -1.238 0.271 -0.034) 1.268 7.449 ( -1.522 -0.295 0.084) 1.552 7.555 ( -0.433 0.322 -0.044) 0.542 7.573 ( -0.607 -0.261 -0.092) 0.667 8.421 ( 6.567 0.177 -0.126) 6.571 8.425 ( 6.374 0.176 0.093) 6.377 8.938 ( -5.563 0.955 0.199) 5.648 8.945 ( -5.838 0.341 0.187) 5.851 12.225 ( -0.301 0.138 0.176) 0.375 12.254 ( -0.025 -0.789 -0.067) 0.792 14.023 ( -1.572 -2.574 -0.677) 3.091 14.034 ( -1.245 -2.699 -0.477) 3.010 14.359 ( 5.399 2.300 0.113) 5.869 14.392 ( 2.130 1.349 1.081) 2.743 14.475 ( -2.764 4.640 -0.742) 5.452 14.659 ( -7.654 -2.707 -0.499) 8.134 ======================= Grid point 334 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -7.393 8.411 0.229) 11.200 1.480 ( 3.764 7.599 1.359) 8.588 1.534 ( -3.092 -1.128 -2.415) 4.082 1.655 ( 4.842 2.128 2.910) 6.036 1.922 ( -6.801 2.292 -1.146) 7.268 2.093 ( -9.079 0.358 4.784) 10.269 2.378 ( 0.384 0.227 -4.104) 4.128 2.469 ( -19.233 1.660 -1.812) 19.390 2.478 ( -10.801 1.102 0.646) 10.877 2.559 ( -12.411 -0.496 2.828) 12.739 2.592 ( -10.282 -4.871 -1.612) 11.491 2.721 ( -1.564 1.842 3.855) 4.549 2.851 ( -5.220 -0.739 -3.691) 6.436 2.892 ( 3.437 -2.740 0.989) 4.505 2.982 ( 0.208 -0.057 -0.189) 0.287 3.078 ( -2.617 1.405 4.974) 5.793 3.247 ( 0.760 0.142 -6.308) 6.356 3.266 ( 6.078 0.501 -6.195) 8.694 3.358 ( 5.582 -1.674 -1.154) 5.941 3.472 ( 0.121 0.073 3.295) 3.298 3.540 ( -1.057 0.121 3.298) 3.466 3.636 ( 0.644 -2.246 4.618) 5.176 3.791 ( 2.139 1.177 -2.697) 3.638 3.857 ( 1.572 0.971 -0.094) 1.850 5.169 ( 5.490 -0.052 -0.298) 5.499 5.209 ( 5.154 -0.718 0.530) 5.230 5.441 ( -8.542 -0.627 -0.193) 8.567 5.461 ( -8.349 -1.655 -0.612) 8.533 5.596 ( -4.218 -0.110 -2.697) 5.007 5.731 ( -5.035 -0.232 3.108) 5.922 6.293 ( 10.612 -0.196 -0.821) 10.646 6.315 ( 10.798 -0.353 0.314) 10.808 7.464 ( -1.915 0.167 -0.343) 1.952 7.482 ( -1.900 -0.092 0.254) 1.919 7.569 ( -0.890 0.248 -0.141) 0.935 7.586 ( -0.922 -0.220 0.121) 0.956 8.293 ( 6.635 0.173 -0.150) 6.639 8.301 ( 6.372 0.044 0.097) 6.373 9.050 ( -5.487 0.365 -0.342) 5.509 9.066 ( -6.355 0.236 0.382) 6.371 12.236 ( -0.772 0.112 -0.034) 0.781 12.253 ( -0.170 -0.214 0.248) 0.369 14.023 ( -1.445 -2.473 -1.179) 3.097 14.048 ( -2.082 -2.301 -0.446) 3.135 14.311 ( 2.573 2.828 1.105) 3.980 14.367 ( 1.678 -0.166 1.922) 2.557 14.551 ( -2.104 4.067 -2.896) 5.418 14.741 ( -3.846 -3.082 0.653) 4.971 ======================= Grid point 335 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.238 0.736 -2.080) 2.219 1.465 ( -1.563 0.935 -3.931) 4.333 1.590 ( -1.462 0.895 3.344) 3.758 1.659 ( -5.265 0.129 2.076) 5.660 2.037 ( -4.613 0.741 -2.434) 5.269 2.255 ( -5.979 -0.106 3.457) 6.907 2.346 ( 2.272 0.310 -1.376) 2.674 2.459 ( 4.550 0.213 5.124) 6.856 2.517 ( 3.268 2.097 -0.837) 3.972 2.626 ( 6.303 0.630 0.102) 6.335 2.701 ( 2.866 -1.503 1.860) 3.732 2.716 ( 3.880 -1.962 4.859) 6.520 2.922 ( 6.676 -0.412 -2.477) 7.132 2.982 ( -0.290 -0.736 1.161) 1.405 3.072 ( -12.843 1.346 -5.528) 14.047 3.136 ( 0.765 -1.116 -4.066) 4.286 3.256 ( -4.290 0.892 -5.955) 7.394 3.268 ( -8.033 -1.744 -4.645) 9.442 3.405 ( -13.969 1.454 4.892) 14.872 3.507 ( -1.923 -0.792 1.526) 2.579 3.591 ( -1.063 2.921 3.862) 4.957 3.640 ( -0.033 -2.371 3.445) 4.182 3.909 ( -19.887 1.095 -1.260) 19.957 3.955 ( -14.718 0.537 0.157) 14.728 5.050 ( 6.342 -0.166 -0.834) 6.399 5.097 ( 6.365 -0.117 0.765) 6.412 5.584 ( -6.363 0.028 -0.161) 6.365 5.590 ( -6.276 -0.509 -0.241) 6.301 5.664 ( -4.542 -0.566 -2.700) 5.314 5.829 ( -2.833 0.027 3.585) 4.569 6.028 ( 16.709 -0.036 -1.076) 16.744 6.046 ( 17.692 -0.250 -0.089) 17.694 7.499 ( -1.846 0.046 -0.396) 1.889 7.515 ( -1.383 0.056 0.116) 1.389 7.591 ( -1.265 0.227 0.070) 1.287 7.601 ( -0.693 -0.236 0.112) 0.741 8.186 ( 4.613 0.057 -0.262) 4.621 8.201 ( 4.337 0.006 0.220) 4.342 9.141 ( -4.293 0.041 -0.721) 4.353 9.178 ( -5.028 0.077 0.590) 5.063 12.253 ( -0.617 0.131 0.107) 0.640 12.254 ( -0.176 0.013 0.072) 0.191 14.033 ( -1.947 -1.363 -1.361) 2.738 14.069 ( -1.917 -1.285 -0.475) 2.356 14.297 ( 1.544 1.580 0.796) 2.348 14.356 ( 0.456 -0.277 3.725) 3.763 14.583 ( -0.645 2.012 -4.984) 5.413 14.774 ( -1.233 -1.458 1.834) 2.648 ======================= Grid point 336 (130/171) ======================= q-point: ( 0.80 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -8.242 -0.000 -1.736) 8.423 1.471 ( -2.758 0.000 -5.020) 5.727 1.709 ( -7.818 -0.000 3.729) 8.662 1.759 ( -4.018 -0.000 1.488) 4.285 2.080 ( -1.649 0.000 -4.178) 4.491 2.260 ( 8.073 -0.000 2.777) 8.537 2.317 ( 3.092 0.000 0.894) 3.218 2.377 ( 8.745 -0.000 4.273) 9.733 2.421 ( 6.944 -0.000 3.484) 7.769 2.464 ( 4.601 0.000 -5.240) 6.974 2.657 ( 1.294 -0.000 8.955) 9.048 2.716 ( -1.463 -0.000 -0.044) 1.464 2.769 ( 4.001 0.000 -7.480) 8.483 2.986 ( 0.026 -0.000 1.280) 1.280 3.060 ( 1.611 0.000 -1.762) 2.387 3.182 ( -1.902 0.000 -2.834) 3.413 3.317 ( -3.368 0.000 -4.868) 5.919 3.390 ( -5.829 -0.000 -0.857) 5.892 3.503 ( 2.369 0.000 0.581) 2.440 3.589 ( -2.540 -0.000 3.931) 4.680 3.611 ( 0.684 -0.000 2.357) 2.454 3.664 ( -2.469 -0.000 0.130) 2.473 4.453 ( -33.428 -0.000 -0.091) 33.428 4.464 ( -33.822 -0.000 0.189) 33.822 4.947 ( 3.557 0.000 -0.671) 3.620 4.991 ( 4.756 0.000 0.508) 4.783 5.594 ( 25.557 0.000 0.085) 25.557 5.622 ( 21.569 0.000 1.344) 21.611 5.669 ( -2.989 -0.000 -0.326) 3.007 5.678 ( -2.088 -0.000 -0.317) 2.112 5.753 ( -1.410 0.000 -2.853) 3.183 5.920 ( -1.511 -0.000 1.748) 2.311 7.527 ( -1.258 -0.000 -0.251) 1.282 7.532 ( -0.461 -0.000 -0.107) 0.473 7.605 ( 0.082 0.000 -0.017) 0.084 7.619 ( -1.294 -0.000 0.309) 1.330 8.121 ( 2.243 0.000 -0.292) 2.262 8.142 ( 2.073 0.000 0.253) 2.088 9.204 ( -2.694 -0.000 -0.705) 2.784 9.255 ( -2.705 -0.000 0.602) 2.771 12.247 ( 0.537 0.000 -0.255) 0.595 12.269 ( -0.531 -0.000 0.315) 0.617 14.064 ( -2.504 0.000 -1.147) 2.755 14.094 ( -1.395 0.000 -0.493) 1.479 14.283 ( 0.908 -0.000 0.483) 1.029 14.372 ( -0.015 -0.000 4.776) 4.776 14.570 ( 0.076 0.000 -5.624) 5.625 14.786 ( 0.023 -0.000 1.813) 1.814 ======================= Grid point 344 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 14.302 9.215) 17.014 1.106 ( 0.000 17.670 3.737) 18.061 1.386 ( -0.000 13.828 -4.264) 14.471 1.505 ( -0.000 2.937 -11.118) 11.500 1.615 ( 0.000 20.568 7.313) 21.829 1.701 ( 0.000 3.799 3.882) 5.431 1.766 ( 0.000 2.955 2.510) 3.878 1.901 ( 0.000 4.585 3.286) 5.641 2.461 ( -0.000 -3.340 -7.355) 8.078 2.526 ( -0.000 -3.580 -6.478) 7.402 2.708 ( 0.000 -5.666 3.645) 6.737 2.709 ( 0.000 -3.242 3.445) 4.731 2.844 ( 0.000 2.620 1.986) 3.288 2.898 ( -0.000 -4.339 -5.033) 6.645 2.944 ( 0.000 0.545 0.717) 0.901 3.129 ( -0.000 -5.582 -6.770) 8.775 3.346 ( 0.000 -0.709 2.032) 2.152 3.410 ( 0.000 -2.226 0.618) 2.310 3.521 ( 0.000 2.131 0.958) 2.336 3.556 ( 0.000 -1.406 4.456) 4.673 3.611 ( 0.000 -0.312 4.081) 4.093 3.623 ( 0.000 -1.162 1.668) 2.033 3.872 ( -0.000 0.150 -0.164) 0.222 4.078 ( -0.000 -3.898 -6.463) 7.548 5.247 ( -0.000 -3.033 -0.241) 3.042 5.257 ( -0.000 -3.530 -0.724) 3.604 5.301 ( 0.000 -0.983 0.661) 1.185 5.311 ( 0.000 -0.960 0.495) 1.080 5.507 ( 0.000 2.029 0.759) 2.166 5.620 ( -0.000 -1.371 -1.602) 2.108 6.472 ( 0.000 0.984 0.510) 1.108 6.500 ( -0.000 -0.272 -0.003) 0.272 7.420 ( 0.000 0.146 0.337) 0.367 7.435 ( -0.000 -0.284 -0.099) 0.301 7.549 ( 0.000 0.295 0.120) 0.319 7.567 ( -0.000 -0.224 -0.415) 0.471 8.494 ( 0.000 0.204 0.015) 0.205 8.496 ( -0.000 0.131 -0.053) 0.141 8.867 ( 0.000 1.292 0.398) 1.352 8.877 ( 0.000 0.430 0.438) 0.614 12.223 ( 0.000 -0.017 0.490) 0.491 12.260 ( -0.000 -0.990 -0.448) 1.087 14.017 ( -0.000 -1.727 -0.221) 1.741 14.042 ( -0.000 -2.896 -1.234) 3.148 14.394 ( 0.000 3.296 0.167) 3.300 14.405 ( 0.000 4.193 0.213) 4.199 14.496 ( -0.000 0.329 -0.156) 0.364 14.499 ( -0.000 -0.181 -0.603) 0.630 ======================= Grid point 345 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -7.198 10.871 5.541) 14.166 1.381 ( -7.344 15.913 4.478) 18.089 1.471 ( -2.030 -0.045 -8.254) 8.500 1.659 ( -7.128 10.465 -0.525) 12.673 1.778 ( -6.682 0.082 2.920) 7.292 1.847 ( -12.697 6.885 1.868) 14.564 1.981 ( -17.579 6.149 3.232) 18.901 2.041 ( -11.638 5.557 1.318) 12.964 2.380 ( 0.840 -2.391 -5.056) 5.656 2.506 ( -3.654 -6.422 -5.735) 9.354 2.618 ( 3.971 -1.372 2.959) 5.139 2.735 ( -0.166 -3.277 2.084) 3.887 2.823 ( -0.149 -1.698 -1.809) 2.485 2.913 ( -2.230 0.445 -0.419) 2.312 2.989 ( -2.739 -0.047 0.709) 2.830 3.058 ( 0.448 -2.457 -1.326) 2.828 3.284 ( 5.177 -0.310 -2.220) 5.642 3.379 ( 4.450 -1.753 -1.545) 5.026 3.469 ( 5.476 1.248 0.289) 5.624 3.541 ( 4.490 -0.695 2.901) 5.390 3.548 ( 0.756 -0.996 4.328) 4.505 3.674 ( -0.961 -1.032 4.093) 4.329 3.840 ( 3.013 -0.030 -1.800) 3.510 3.937 ( 6.554 -1.927 -4.227) 8.033 5.248 ( 1.897 -0.445 0.460) 2.002 5.285 ( 1.399 -1.302 0.456) 1.965 5.304 ( -6.214 -2.327 -0.577) 6.660 5.323 ( -5.934 -2.180 -0.790) 6.371 5.529 ( -1.370 1.052 -0.625) 1.837 5.652 ( -4.400 -0.674 0.677) 4.503 6.433 ( 4.914 0.189 -0.376) 4.932 6.461 ( 4.421 -0.325 0.376) 4.449 7.432 ( -1.101 0.166 -0.037) 1.114 7.450 ( -1.608 -0.260 0.098) 1.632 7.554 ( -0.371 0.245 -0.056) 0.448 7.572 ( -0.728 -0.166 -0.108) 0.755 8.420 ( 6.551 0.155 -0.116) 6.554 8.426 ( 6.398 0.190 0.074) 6.401 8.940 ( -5.477 0.859 0.286) 5.551 8.946 ( -5.750 0.318 0.174) 5.761 12.227 ( -0.199 -0.049 0.234) 0.312 12.253 ( -0.186 -0.606 -0.098) 0.642 14.016 ( -1.187 -2.673 -0.763) 3.022 14.029 ( -1.475 -2.397 -0.686) 2.897 14.362 ( 4.990 2.499 0.557) 5.608 14.403 ( 1.753 1.161 1.189) 2.415 14.466 ( -2.116 4.285 -1.184) 4.924 14.654 ( -7.761 -2.177 -0.572) 8.080 ======================= Grid point 346 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -6.270 5.987 0.493) 8.683 1.466 ( 3.072 2.298 -3.441) 5.153 1.540 ( -3.329 4.444 2.958) 6.291 1.679 ( 6.217 4.829 2.363) 8.219 1.918 ( -6.307 1.373 0.061) 6.455 2.129 ( -9.266 0.389 3.071) 9.769 2.346 ( -0.626 -0.145 -3.023) 3.091 2.450 ( -15.977 3.474 -2.123) 16.487 2.485 ( -13.593 -0.229 0.701) 13.613 2.565 ( -18.482 -3.997 -1.155) 18.945 2.600 ( -7.129 -1.619 3.300) 8.021 2.749 ( -4.445 2.552 1.841) 5.446 2.815 ( -2.484 -1.321 -3.719) 4.663 2.915 ( 4.180 -2.674 3.950) 6.343 2.980 ( -0.543 0.207 -0.188) 0.611 3.114 ( 1.787 1.052 2.810) 3.493 3.185 ( 1.123 -0.006 -7.450) 7.534 3.225 ( 2.961 0.769 -2.937) 4.240 3.348 ( 6.649 -1.674 -1.049) 6.937 3.499 ( 0.637 -0.214 2.736) 2.817 3.567 ( -1.054 0.089 2.731) 2.928 3.669 ( 0.615 -1.431 2.341) 2.812 3.773 ( 1.930 0.772 -1.195) 2.398 3.853 ( 0.645 0.687 -0.745) 1.201 5.166 ( 5.769 -0.266 -0.239) 5.780 5.213 ( 5.177 -0.307 0.474) 5.208 5.439 ( -8.759 -0.905 -0.117) 8.807 5.455 ( -8.493 -1.523 -0.697) 8.657 5.575 ( -3.800 -0.388 -1.978) 4.302 5.756 ( -5.492 0.072 2.422) 6.002 6.286 ( 10.693 -0.207 -0.725) 10.720 6.317 ( 10.916 -0.389 0.194) 10.925 7.461 ( -1.854 0.104 -0.273) 1.876 7.484 ( -1.897 -0.050 0.182) 1.906 7.568 ( -0.972 0.118 -0.120) 0.987 7.587 ( -0.921 -0.105 0.102) 0.933 8.291 ( 6.655 0.121 -0.127) 6.658 8.302 ( 6.350 0.099 0.074) 6.351 9.048 ( -5.237 0.323 -0.249) 5.253 9.069 ( -6.481 0.230 0.288) 6.492 12.236 ( -0.810 -0.025 -0.009) 0.811 12.255 ( -0.145 -0.080 0.224) 0.278 14.013 ( -1.366 -2.616 -0.988) 3.112 14.043 ( -1.975 -1.990 -0.617) 2.871 14.321 ( 2.504 2.778 1.132) 3.907 14.387 ( 1.045 -0.152 2.679) 2.879 14.522 ( -1.440 3.276 -3.605) 5.079 14.746 ( -4.169 -2.256 0.559) 4.774 ======================= Grid point 347 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.415 0.187 -1.168) 1.254 1.432 ( -1.385 0.337 -3.316) 3.609 1.618 ( -0.603 1.403 2.666) 3.072 1.675 ( -5.224 0.947 1.485) 5.513 2.021 ( -3.768 0.363 -1.291) 3.999 2.278 ( -5.500 -0.085 1.882) 5.813 2.334 ( 0.675 -0.086 -1.137) 1.325 2.511 ( 2.422 0.175 6.262) 6.716 2.512 ( 2.627 2.193 -0.336) 3.439 2.627 ( 8.821 0.804 0.105) 8.858 2.687 ( -0.001 -2.106 -3.152) 3.791 2.786 ( 7.172 -0.292 8.374) 11.030 2.892 ( 10.944 -0.361 -3.864) 11.612 2.988 ( -1.286 -0.813 0.128) 1.527 3.031 ( -13.042 1.040 -3.614) 13.573 3.123 ( -3.345 -1.679 0.902) 3.850 3.198 ( -4.791 1.029 -6.481) 8.125 3.225 ( -7.504 -1.998 -4.822) 9.141 3.444 ( -13.863 2.087 3.646) 14.485 3.517 ( -1.977 -1.196 0.817) 2.451 3.611 ( -1.852 1.036 0.987) 2.340 3.677 ( 2.848 -0.303 4.017) 4.934 3.898 ( -21.724 0.965 -1.069) 21.772 3.956 ( -14.616 0.470 -0.009) 14.624 5.043 ( 6.409 -0.264 -0.566) 6.440 5.103 ( 6.409 0.035 0.509) 6.429 5.582 ( -6.260 -0.148 -0.122) 6.263 5.588 ( -6.450 -0.412 -0.190) 6.466 5.644 ( -4.840 -0.612 -1.755) 5.184 5.858 ( -3.308 0.148 2.703) 4.274 6.018 ( 17.172 -0.130 -1.118) 17.209 6.046 ( 17.915 -0.220 -0.073) 17.917 7.496 ( -1.860 0.031 -0.269) 1.879 7.515 ( -1.290 0.060 0.042) 1.292 7.592 ( -1.473 0.074 0.064) 1.476 7.602 ( -0.582 -0.085 0.082) 0.594 8.184 ( 4.647 0.030 -0.173) 4.650 8.202 ( 4.299 0.035 0.140) 4.302 9.136 ( -4.189 0.030 -0.476) 4.216 9.182 ( -5.113 0.077 0.370) 5.127 12.254 ( -0.631 0.110 0.095) 0.648 12.255 ( -0.117 0.033 0.050) 0.132 14.023 ( -1.950 -1.487 -0.961) 2.634 14.065 ( -1.871 -1.055 -0.450) 2.195 14.304 ( 1.647 1.335 0.599) 2.203 14.393 ( 0.020 -0.071 4.557) 4.558 14.536 ( -0.390 1.489 -5.284) 5.503 14.787 ( -1.328 -0.969 1.163) 2.013 ======================= Grid point 348 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.248 0.000 -2.949) 3.708 1.458 ( -8.421 -0.000 -0.881) 8.467 1.737 ( -9.127 -0.000 2.421) 9.442 1.768 ( -3.742 -0.000 0.742) 3.815 2.050 ( -0.427 0.000 -2.360) 2.398 2.283 ( 5.875 -0.000 1.977) 6.199 2.330 ( 5.764 -0.000 2.548) 6.302 2.395 ( 10.204 0.000 0.616) 10.223 2.414 ( 5.029 0.000 -5.775) 7.658 2.472 ( 7.681 -0.000 6.653) 10.161 2.694 ( -2.223 0.000 -6.683) 7.043 2.720 ( 1.964 0.000 -1.022) 2.214 2.732 ( 1.120 -0.000 6.929) 7.019 2.991 ( -0.019 0.000 -0.180) 0.181 3.052 ( 2.200 0.000 -0.289) 2.219 3.159 ( -2.538 0.000 -2.029) 3.249 3.279 ( -3.992 0.000 -3.241) 5.142 3.384 ( -6.775 -0.000 -0.543) 6.796 3.506 ( 2.495 0.000 0.129) 2.498 3.621 ( -2.154 -0.000 3.109) 3.782 3.630 ( 1.765 -0.000 1.740) 2.479 3.660 ( -2.589 0.000 -1.006) 2.777 4.452 ( -33.429 -0.000 -0.046) 33.429 4.465 ( -33.826 -0.000 0.099) 33.827 4.942 ( 3.436 0.000 -0.366) 3.456 4.994 ( 4.873 0.000 0.267) 4.880 5.595 ( 25.930 0.000 0.071) 25.930 5.634 ( 22.775 0.000 1.243) 22.809 5.667 ( -2.979 -0.000 -0.188) 2.985 5.674 ( -1.824 -0.000 -0.550) 1.906 5.733 ( -3.224 0.000 -1.669) 3.631 5.932 ( -1.713 -0.000 0.895) 1.933 7.525 ( -1.315 -0.000 -0.148) 1.323 7.531 ( -0.417 -0.000 -0.068) 0.423 7.605 ( 0.184 0.000 0.004) 0.184 7.621 ( -1.394 -0.000 0.171) 1.404 8.119 ( 2.259 0.000 -0.155) 2.265 8.144 ( 2.058 0.000 0.131) 2.062 9.199 ( -2.707 -0.000 -0.376) 2.733 9.259 ( -2.718 -0.000 0.313) 2.736 12.245 ( 0.651 0.000 -0.132) 0.664 12.272 ( -0.603 -0.000 0.169) 0.626 14.056 ( -2.592 -0.000 -0.638) 2.669 14.090 ( -1.348 -0.000 -0.314) 1.384 14.286 ( 0.943 -0.000 0.317) 0.995 14.417 ( -0.086 -0.000 5.311) 5.312 14.519 ( 0.080 0.000 -5.711) 5.711 14.798 ( 0.011 -0.000 0.916) 0.916 ======================= Grid point 349 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -2.105 -0.000 -0.000) 2.105 1.454 ( -8.486 -0.000 -0.000) 8.486 1.749 ( -9.710 -0.000 -0.000) 9.710 1.772 ( -3.616 -0.000 -0.000) 3.616 2.039 ( 0.139 0.000 0.000) 0.139 2.291 ( 4.339 0.000 0.000) 4.339 2.362 ( 15.441 0.000 0.000) 15.441 2.368 ( -2.795 -0.000 -0.000) 2.795 2.397 ( 10.182 0.000 0.000) 10.182 2.510 ( 11.074 0.000 0.000) 11.074 2.654 ( -4.738 -0.000 -0.000) 4.738 2.717 ( 0.879 0.000 0.000) 0.879 2.766 ( 1.038 0.000 0.000) 1.038 2.988 ( 0.069 0.000 0.000) 0.069 3.051 ( 2.488 0.000 0.000) 2.488 3.149 ( -2.716 -0.000 -0.000) 2.716 3.264 ( -4.327 -0.000 -0.000) 4.327 3.381 ( -7.147 -0.000 -0.000) 7.147 3.506 ( 2.526 0.000 0.000) 2.526 3.639 ( 2.121 0.000 0.000) 2.121 3.641 ( -1.025 -0.000 -0.000) 1.025 3.650 ( -3.611 -0.000 -0.000) 3.611 4.452 ( -33.434 -0.000 -0.000) 33.434 4.465 ( -33.825 -0.000 -0.000) 33.825 4.940 ( 3.392 0.000 0.000) 3.392 4.995 ( 4.914 0.000 0.000) 4.914 5.595 ( 26.059 0.000 0.000) 26.059 5.641 ( 24.958 0.000 0.000) 24.958 5.666 ( -2.976 -0.000 -0.000) 2.976 5.671 ( -2.925 -0.000 -0.000) 2.925 5.725 ( -4.430 -0.000 -0.000) 4.430 5.936 ( -1.786 -0.000 -0.000) 1.786 7.525 ( -1.332 -0.000 -0.000) 1.332 7.531 ( -0.404 -0.000 -0.000) 0.404 7.605 ( 0.217 0.000 0.000) 0.217 7.622 ( -1.427 -0.000 -0.000) 1.427 8.118 ( 2.265 0.000 0.000) 2.265 8.144 ( 2.053 0.000 0.000) 2.053 9.197 ( -2.712 -0.000 -0.000) 2.712 9.260 ( -2.723 -0.000 -0.000) 2.723 12.245 ( 0.691 0.000 0.000) 0.691 12.272 ( -0.627 -0.000 -0.000) 0.627 14.053 ( -2.622 -0.000 -0.000) 2.622 14.088 ( -1.335 -0.000 -0.000) 1.335 14.288 ( 0.953 0.000 0.000) 0.953 14.460 ( -0.484 -0.000 -0.000) 0.484 14.475 ( 0.457 0.000 0.000) 0.457 14.802 ( 0.007 0.000 0.000) 0.007 ======================= Grid point 355 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 11.148 11.099) 15.731 1.144 ( 0.000 16.729 4.793) 17.402 1.346 ( -0.000 13.876 -4.704) 14.652 1.403 ( 0.000 3.532 -11.568) 12.095 1.683 ( 0.000 18.983 7.706) 20.487 1.741 ( 0.000 3.786 5.085) 6.339 1.783 ( 0.000 5.174 1.223) 5.317 1.920 ( 0.000 5.245 0.528) 5.271 2.405 ( 0.000 -3.911 -4.872) 6.248 2.469 ( -0.000 -3.612 -6.137) 7.121 2.734 ( 0.000 -4.953 2.344) 5.480 2.738 ( 0.000 -2.888 3.197) 4.308 2.855 ( 0.000 -5.337 -4.221) 6.805 2.858 ( 0.000 1.443 0.851) 1.675 2.954 ( 0.000 1.462 1.321) 1.971 3.068 ( 0.000 -3.803 -6.656) 7.666 3.363 ( 0.000 -1.409 1.860) 2.333 3.411 ( 0.000 -2.174 -0.442) 2.219 3.533 ( -0.000 1.811 1.741) 2.513 3.580 ( 0.000 -0.878 0.730) 1.142 3.653 ( 0.000 0.049 5.059) 5.059 3.654 ( 0.000 -1.852 5.165) 5.487 3.868 ( 0.000 -1.410 -0.512) 1.500 4.012 ( -0.000 -3.082 -8.029) 8.601 5.245 ( -0.000 -3.110 -0.175) 3.115 5.251 ( 0.000 -3.424 -0.595) 3.475 5.306 ( 0.000 -0.918 0.589) 1.091 5.314 ( 0.000 -0.893 0.285) 0.937 5.517 ( 0.000 1.738 1.559) 2.335 5.603 ( 0.000 -0.836 -2.238) 2.389 6.478 ( 0.000 0.745 0.684) 1.011 6.499 ( 0.000 -0.207 -0.219) 0.301 7.423 ( 0.000 -0.011 0.384) 0.384 7.434 ( 0.000 -0.284 -0.160) 0.326 7.550 ( -0.000 0.253 0.197) 0.321 7.563 ( -0.000 -0.094 -0.477) 0.487 8.494 ( 0.000 0.189 0.027) 0.191 8.496 ( 0.000 0.136 -0.065) 0.151 8.871 ( -0.000 1.149 0.497) 1.251 8.880 ( -0.000 0.437 0.269) 0.513 12.229 ( 0.000 -0.150 0.664) 0.681 12.255 ( 0.000 -0.855 -0.618) 1.055 14.015 ( -0.000 -1.803 -0.205) 1.815 14.030 ( 0.000 -2.478 -1.215) 2.759 14.396 ( -0.000 3.396 0.328) 3.412 14.407 ( 0.000 4.133 0.089) 4.134 14.494 ( -0.000 -0.093 -0.502) 0.510 14.494 ( 0.000 0.331 -0.227) 0.401 ======================= Grid point 356 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -5.504 7.973 6.146) 11.473 1.395 ( -2.958 3.802 -7.424) 8.849 1.424 ( -8.477 12.729 3.816) 15.762 1.648 ( -10.725 11.905 -1.740) 16.118 1.810 ( -3.906 0.126 4.028) 5.612 1.863 ( -11.042 6.913 1.500) 13.113 2.005 ( -17.315 5.354 2.196) 18.257 2.046 ( -10.040 5.953 -0.355) 11.678 2.345 ( -0.194 -2.631 -2.661) 3.747 2.458 ( -4.401 -6.278 -4.729) 9.008 2.644 ( 3.794 -1.387 2.844) 4.940 2.743 ( 1.764 -2.612 -0.782) 3.247 2.816 ( -2.119 -3.414 0.938) 4.126 2.907 ( -3.098 0.676 -1.532) 3.522 2.983 ( -0.936 -1.182 -1.554) 2.165 3.056 ( -3.565 1.404 0.815) 3.917 3.270 ( 7.453 -1.369 -0.919) 7.634 3.366 ( 6.050 -2.214 -1.335) 6.579 3.469 ( 5.558 0.735 -0.068) 5.607 3.560 ( 2.642 -0.366 2.017) 3.344 3.594 ( 3.187 -0.281 4.725) 5.707 3.709 ( -0.234 -1.082 3.766) 3.925 3.820 ( 3.469 -0.853 -2.991) 4.659 3.900 ( 3.764 -2.082 -3.713) 5.682 5.252 ( 2.079 -0.321 0.437) 2.149 5.289 ( 1.636 -0.946 0.427) 1.937 5.299 ( -6.646 -2.686 -0.445) 7.183 5.316 ( -5.553 -2.059 -0.773) 5.972 5.524 ( -0.663 0.462 -0.432) 0.916 5.658 ( -5.462 -0.067 0.483) 5.483 6.431 ( 5.234 0.125 -0.237) 5.241 6.464 ( 4.347 -0.339 0.232) 4.367 7.431 ( -0.980 0.074 -0.028) 0.983 7.451 ( -1.679 -0.235 0.075) 1.697 7.554 ( -0.309 0.167 -0.047) 0.355 7.571 ( -0.848 -0.071 -0.083) 0.855 8.419 ( 6.550 0.141 -0.080) 6.552 8.426 ( 6.407 0.197 0.046) 6.411 8.943 ( -5.360 0.728 0.302) 5.418 8.947 ( -5.701 0.343 0.057) 5.712 12.229 ( -0.070 -0.273 0.209) 0.351 12.252 ( -0.376 -0.386 -0.098) 0.547 14.010 ( -0.987 -2.729 -0.578) 2.958 14.023 ( -1.523 -2.155 -0.608) 2.708 14.368 ( 4.683 2.566 0.704) 5.387 14.413 ( 1.101 1.184 1.232) 2.033 14.454 ( -1.296 3.832 -1.487) 4.310 14.650 ( -7.856 -1.642 -0.425) 8.037 ======================= Grid point 357 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -5.424 3.551 0.550) 6.506 1.437 ( 1.399 2.626 -2.666) 3.995 1.567 ( -2.108 4.670 2.463) 5.685 1.696 ( 7.225 7.273 1.258) 10.329 1.920 ( -5.939 0.420 0.416) 5.969 2.147 ( -9.458 0.669 1.149) 9.551 2.326 ( -1.238 -0.660 -1.385) 1.972 2.434 ( -13.302 4.329 -1.356) 14.054 2.490 ( -16.302 -0.804 0.402) 16.326 2.555 ( -22.324 -4.569 -0.898) 22.805 2.634 ( -3.893 -1.089 4.085) 5.747 2.737 ( -10.394 1.689 -4.078) 11.293 2.804 ( 3.211 -1.052 0.821) 3.478 2.955 ( 0.999 -1.006 3.845) 4.099 2.984 ( -0.316 -0.041 2.057) 2.081 3.108 ( 4.354 0.174 -6.465) 7.796 3.134 ( 9.498 -1.033 -1.253) 9.635 3.215 ( -5.592 2.199 0.258) 6.014 3.340 ( 7.721 -1.852 -0.716) 7.973 3.520 ( 1.357 -0.440 1.738) 2.249 3.587 ( -0.367 0.218 1.627) 1.682 3.677 ( -0.174 -0.373 -0.138) 0.434 3.771 ( 1.816 -0.033 0.406) 1.861 3.846 ( -0.177 0.395 -0.697) 0.820 5.165 ( 5.984 -0.389 -0.127) 5.998 5.217 ( 5.214 -0.010 0.273) 5.221 5.439 ( -9.008 -1.290 0.042) 9.099 5.450 ( -8.537 -1.278 -0.550) 8.650 5.562 ( -3.540 -0.529 -1.034) 3.726 5.773 ( -5.801 0.248 1.327) 5.956 6.281 ( 10.791 -0.227 -0.433) 10.802 6.319 ( 10.995 -0.411 0.092) 11.003 7.459 ( -1.814 0.067 -0.148) 1.821 7.485 ( -1.884 -0.031 0.091) 1.887 7.567 ( -1.036 0.034 -0.066) 1.038 7.588 ( -0.925 -0.032 0.056) 0.927 8.290 ( 6.669 0.091 -0.071) 6.670 8.303 ( 6.334 0.130 0.039) 6.335 9.046 ( -5.067 0.293 -0.130) 5.077 9.071 ( -6.552 0.222 0.154) 6.558 12.236 ( -0.839 -0.114 0.003) 0.846 12.256 ( -0.126 0.006 0.130) 0.181 14.006 ( -1.305 -2.724 -0.554) 3.071 14.038 ( -1.917 -1.755 -0.426) 2.633 14.329 ( 2.522 2.620 0.682) 3.699 14.414 ( 0.179 -0.093 3.164) 3.170 14.489 ( -0.637 2.834 -3.695) 4.700 14.750 ( -4.387 -1.710 0.311) 4.719 ======================= Grid point 358 (140/171) ======================= q-point: ( 0.90 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.682 -0.321 -0.312) 0.816 1.410 ( -1.348 0.388 -1.324) 1.929 1.635 ( -0.132 1.533 1.012) 1.841 1.684 ( -5.236 1.396 0.534) 5.445 2.013 ( -3.250 0.123 -0.404) 3.277 2.289 ( -5.513 -0.045 0.605) 5.547 2.327 ( 0.103 -0.368 -0.474) 0.609 2.510 ( 2.022 2.111 -0.099) 2.924 2.566 ( 0.334 0.848 5.467) 5.542 2.626 ( 6.323 1.017 -0.701) 6.442 2.652 ( 5.255 -2.202 -3.603) 6.742 2.848 ( 8.230 -0.066 4.582) 9.420 2.865 ( 12.897 -0.455 -1.716) 13.019 2.984 ( -3.662 -1.058 -0.690) 3.874 3.009 ( -11.736 0.879 -1.270) 11.838 3.145 ( -5.527 -1.915 3.633) 6.886 3.152 ( -6.150 1.112 -3.138) 6.993 3.183 ( -6.561 -2.030 -4.631) 8.284 3.467 ( -13.277 2.490 1.334) 13.574 3.522 ( -2.625 -1.521 0.342) 3.053 3.615 ( -1.485 0.428 0.099) 1.548 3.703 ( 4.266 0.428 1.623) 4.585 3.891 ( -23.191 0.922 -0.460) 23.214 3.956 ( -14.626 0.383 -0.024) 14.631 5.040 ( 6.450 -0.307 -0.201) 6.460 5.106 ( 6.438 0.112 0.179) 6.441 5.582 ( -6.165 -0.289 -0.042) 6.172 5.587 ( -6.590 -0.342 -0.072) 6.599 5.633 ( -4.996 -0.612 -0.613) 5.070 5.875 ( -4.048 0.237 1.066) 4.192 6.010 ( 17.908 -0.201 -0.524) 17.916 6.045 ( 18.022 -0.210 -0.028) 18.023 7.494 ( -1.864 0.022 -0.095) 1.867 7.516 ( -1.240 0.060 0.009) 1.241 7.592 ( -1.592 -0.013 0.026) 1.592 7.602 ( -0.520 0.001 0.030) 0.520 8.183 ( 4.664 0.017 -0.061) 4.665 8.203 ( 4.279 0.048 0.048) 4.280 9.133 ( -4.134 0.023 -0.166) 4.138 9.185 ( -5.157 0.077 0.126) 5.159 12.255 ( -0.794 0.089 0.049) 0.800 12.255 ( 0.073 0.053 0.007) 0.090 14.017 ( -1.950 -1.543 -0.345) 2.511 14.062 ( -1.860 -0.942 -0.179) 2.092 14.307 ( 1.691 1.217 0.220) 2.095 14.435 ( -0.542 -0.176 4.443) 4.480 14.491 ( 0.082 1.464 -4.679) 4.903 14.794 ( -1.375 -0.756 0.396) 1.618 ======================= Grid point 366 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 8.458 11.596) 14.353 1.187 ( -0.000 15.131 4.117) 15.681 1.302 ( -0.000 5.133 -10.533) 11.717 1.303 ( -0.000 14.019 -5.025) 14.892 1.744 ( -0.000 16.354 5.364) 17.211 1.788 ( -0.000 8.104 -0.220) 8.107 1.794 ( -0.000 4.082 6.791) 7.923 1.906 ( -0.000 5.781 -3.697) 6.862 2.378 ( 0.000 -4.284 -1.040) 4.409 2.419 ( -0.000 -3.932 -4.823) 6.223 2.753 ( -0.000 -3.820 1.860) 4.249 2.764 ( 0.000 -1.295 2.078) 2.449 2.828 ( 0.000 -6.893 -1.552) 7.066 2.855 ( -0.000 -1.301 -1.623) 2.080 2.967 ( 0.000 1.705 1.677) 2.392 3.016 ( -0.000 -1.424 -4.636) 4.850 3.379 ( -0.000 -1.835 1.675) 2.485 3.404 ( -0.000 -2.127 -1.044) 2.369 3.550 ( -0.000 0.979 1.908) 2.145 3.578 ( 0.000 -0.396 -0.928) 1.009 3.697 ( -0.000 0.696 4.515) 4.568 3.700 ( 0.000 -1.389 4.278) 4.498 3.866 ( -0.000 -2.964 0.264) 2.976 3.940 ( -0.000 -2.822 -7.706) 8.206 5.244 ( -0.000 -3.194 -0.044) 3.194 5.247 ( -0.000 -3.347 -0.371) 3.367 5.311 ( -0.000 -0.825 0.449) 0.940 5.315 ( -0.000 -0.810 -0.013) 0.810 5.534 ( 0.000 1.205 2.289) 2.586 5.581 ( 0.000 -0.180 -2.631) 2.638 6.484 ( 0.000 0.467 0.748) 0.882 6.496 ( -0.000 -0.047 -0.479) 0.481 7.427 ( 0.000 -0.140 0.362) 0.388 7.432 ( -0.000 -0.269 -0.229) 0.353 7.552 ( -0.000 0.195 0.287) 0.347 7.559 ( -0.000 0.024 -0.453) 0.454 8.494 ( -0.000 0.172 0.042) 0.177 8.495 ( -0.000 0.144 -0.065) 0.158 8.876 ( 0.000 0.959 0.476) 1.071 8.881 ( 0.000 0.554 -0.034) 0.555 12.235 ( -0.000 -0.317 0.764) 0.827 12.249 ( 0.000 -0.687 -0.734) 1.006 14.014 ( -0.000 -1.891 -0.012) 1.891 14.021 ( 0.000 -2.178 -0.849) 2.337 14.400 ( 0.000 3.560 0.449) 3.588 14.406 ( 0.000 3.993 -0.184) 3.997 14.491 ( -0.000 0.023 -0.192) 0.194 14.492 ( 0.000 0.282 -0.235) 0.367 ======================= Grid point 367 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -3.496 5.041 4.266) 7.472 1.335 ( -4.591 4.579 -4.910) 8.133 1.454 ( -9.091 13.226 1.987) 16.172 1.633 ( -12.441 12.885 -1.072) 17.943 1.842 ( -1.689 0.336 2.395) 2.950 1.871 ( -10.154 6.498 0.311) 12.059 2.019 ( -16.814 4.645 0.793) 17.462 2.039 ( -10.208 6.971 -0.827) 12.389 2.332 ( -0.581 -2.836 -0.569) 2.950 2.427 ( -5.068 -6.476 -1.926) 8.446 2.666 ( 3.513 -0.132 1.696) 3.903 2.728 ( 2.792 -4.216 -1.530) 5.283 2.838 ( -2.360 -3.457 3.213) 5.277 2.883 ( -4.679 -0.079 -3.316) 5.735 2.973 ( -0.280 0.123 -0.509) 0.593 3.064 ( -4.950 2.754 0.536) 5.690 3.266 ( 8.416 -2.149 -0.147) 8.687 3.357 ( 6.952 -2.487 -0.561) 7.404 3.468 ( 5.564 0.388 -0.040) 5.577 3.574 ( 2.163 0.184 0.896) 2.348 3.624 ( 4.052 -0.036 1.845) 4.452 3.745 ( 2.032 -1.182 4.360) 4.953 3.786 ( 2.914 -0.796 -4.449) 5.377 3.877 ( 1.278 -2.761 -1.320) 3.316 5.255 ( 2.254 -0.241 0.190) 2.275 5.292 ( 2.160 -0.419 0.204) 2.210 5.296 ( -6.995 -2.933 -0.164) 7.586 5.310 ( -5.685 -2.267 -0.363) 6.131 5.522 ( -0.254 0.111 -0.151) 0.316 5.660 ( -6.075 0.287 0.172) 6.085 6.429 ( 5.421 0.077 -0.080) 5.422 6.465 ( 4.311 -0.339 0.077) 4.325 7.431 ( -0.913 0.022 -0.010) 0.913 7.451 ( -1.716 -0.223 0.028) 1.731 7.554 ( -0.272 0.119 -0.019) 0.297 7.570 ( -0.921 -0.013 -0.031) 0.921 8.419 ( 6.551 0.134 -0.029) 6.553 8.427 ( 6.411 0.199 0.016) 6.414 8.945 ( -5.140 0.589 0.193) 5.177 8.947 ( -5.824 0.422 -0.058) 5.839 12.230 ( 0.033 -0.441 0.086) 0.450 12.251 ( -0.515 -0.220 -0.043) 0.562 14.006 ( -0.921 -2.760 -0.212) 2.917 14.019 ( -1.497 -2.017 -0.243) 2.524 14.373 ( 4.529 2.525 0.326) 5.195 14.425 ( 0.281 1.158 1.211) 1.699 14.441 ( -0.407 3.667 -1.367) 3.935 14.647 ( -7.909 -1.309 -0.153) 8.018 ======================= Grid point 368 (143/171) ======================= q-point: (-0.10 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -5.104 2.317 0.000) 5.605 1.424 ( 0.956 3.427 0.000) 3.558 1.579 ( -1.820 4.257 0.000) 4.630 1.701 ( 7.623 8.386 0.000) 11.333 1.923 ( -5.788 -0.037 -0.000) 5.788 2.152 ( -9.557 0.868 -0.000) 9.597 2.320 ( -1.434 -0.932 -0.000) 1.710 2.428 ( -12.464 4.662 -0.000) 13.308 2.492 ( -17.305 -1.008 -0.000) 17.334 2.551 ( -23.454 -4.606 -0.000) 23.902 2.661 ( 1.115 -1.608 -0.000) 1.956 2.708 ( -15.064 1.705 -0.000) 15.160 2.810 ( 4.303 -0.901 0.000) 4.396 2.966 ( -2.306 0.445 -0.000) 2.349 3.019 ( -5.564 0.341 -0.000) 5.574 3.056 ( 11.192 -1.420 0.000) 11.282 3.130 ( 13.611 -1.334 0.000) 13.676 3.218 ( -8.938 2.828 -0.000) 9.375 3.336 ( 8.307 -1.975 0.000) 8.539 3.528 ( 1.756 -0.550 0.000) 1.840 3.594 ( -0.000 0.295 0.000) 0.295 3.675 ( -0.624 0.081 -0.000) 0.629 3.774 ( 1.754 -0.371 0.000) 1.793 3.842 ( -0.523 0.263 0.000) 0.585 5.164 ( 6.065 -0.429 0.000) 6.080 5.218 ( 5.230 0.099 0.000) 5.231 5.439 ( -9.198 -1.607 -0.000) 9.338 5.447 ( -8.457 -1.019 -0.000) 8.519 5.557 ( -3.452 -0.573 -0.000) 3.499 5.779 ( -5.915 0.307 -0.000) 5.923 6.279 ( 10.835 -0.237 0.000) 10.837 6.319 ( 11.022 -0.418 0.000) 11.030 7.458 ( -1.800 0.055 -0.000) 1.801 7.485 ( -1.878 -0.026 -0.000) 1.878 7.567 ( -1.059 0.005 -0.000) 1.059 7.588 ( -0.927 -0.008 -0.000) 0.927 8.290 ( 6.674 0.082 0.000) 6.675 8.303 ( 6.328 0.140 0.000) 6.329 9.045 ( -5.007 0.282 -0.000) 5.015 9.072 ( -6.575 0.219 -0.000) 6.579 12.236 ( -0.849 -0.144 -0.000) 0.861 12.257 ( -0.120 0.035 -0.000) 0.125 14.004 ( -1.282 -2.766 -0.000) 3.049 14.036 ( -1.899 -1.666 -0.000) 2.526 14.332 ( 2.540 2.534 0.000) 3.588 14.435 ( -0.886 -0.871 -0.000) 1.242 14.465 ( 0.392 3.514 0.000) 3.536 14.752 ( -4.463 -1.523 -0.000) 4.715 ======================= Grid point 379 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.000 7.693 -9.355) 12.112 1.170 ( 0.000 7.693 9.355) 12.112 1.262 ( 0.000 13.225 -2.437) 13.448 1.262 ( 0.000 13.225 2.437) 13.448 1.777 ( -0.000 11.681 -1.962) 11.845 1.777 ( 0.000 11.681 1.962) 11.845 1.857 ( -0.000 5.681 -6.712) 8.793 1.857 ( 0.000 5.681 6.712) 8.793 2.386 ( -0.000 -4.244 -2.271) 4.813 2.386 ( 0.000 -4.244 2.271) 4.813 2.767 ( 0.000 -1.949 -0.564) 2.029 2.767 ( 0.000 -1.949 0.564) 2.029 2.834 ( -0.000 -5.211 -2.157) 5.640 2.834 ( 0.000 -5.211 2.157) 5.640 2.985 ( -0.000 0.831 -2.453) 2.590 2.985 ( 0.000 0.831 2.453) 2.590 3.393 ( -0.000 -2.044 -1.147) 2.344 3.393 ( 0.000 -2.044 1.147) 2.344 3.566 ( -0.000 0.172 -1.318) 1.329 3.566 ( 0.000 0.172 1.318) 1.329 3.721 ( 0.000 0.131 -0.004) 0.131 3.721 ( 0.000 0.131 0.004) 0.131 3.884 ( -0.000 -3.340 -4.206) 5.371 3.884 ( 0.000 -3.340 4.206) 5.371 5.244 ( 0.000 -3.273 -0.099) 3.274 5.244 ( 0.000 -3.273 0.099) 3.274 5.314 ( -0.000 -0.779 -0.229) 0.812 5.314 ( 0.000 -0.779 0.229) 0.812 5.557 ( -0.000 0.529 -2.372) 2.430 5.557 ( 0.000 0.529 2.372) 2.430 6.491 ( -0.000 0.190 -0.566) 0.597 6.491 ( 0.000 0.190 0.566) 0.597 7.429 ( 0.000 -0.225 -0.241) 0.330 7.429 ( 0.000 -0.225 0.241) 0.330 7.555 ( -0.000 0.120 -0.342) 0.362 7.555 ( 0.000 0.120 0.342) 0.362 8.495 ( 0.000 0.157 -0.024) 0.159 8.495 ( 0.000 0.157 0.024) 0.159 8.879 ( -0.000 0.747 -0.304) 0.806 8.879 ( 0.000 0.747 0.304) 0.806 12.242 ( -0.000 -0.502 -0.759) 0.910 12.242 ( 0.000 -0.502 0.759) 0.910 14.016 ( -0.000 -2.001 -0.364) 2.033 14.016 ( 0.000 -2.001 0.364) 2.033 14.404 ( -0.000 3.778 -0.410) 3.800 14.404 ( 0.000 3.778 0.410) 3.800 14.491 ( 0.000 0.168 -0.004) 0.168 14.491 ( 0.000 0.168 0.004) 0.168 ======================= Grid point 398 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -7.801 -0.000 3.044) 8.374 1.550 ( -6.370 -0.000 1.193) 6.481 1.661 ( -3.938 -0.000 0.561) 3.978 1.716 ( -3.924 -0.000 -3.340) 5.153 2.178 ( -3.692 -0.000 6.482) 7.460 2.231 ( 7.938 -0.000 -0.011) 7.938 2.279 ( 6.278 -0.000 -4.384) 7.658 2.288 ( -1.743 -0.000 -3.468) 3.881 2.406 ( 9.562 -0.000 0.393) 9.570 2.452 ( 7.780 -0.000 -5.381) 9.460 2.614 ( 0.233 -0.000 4.459) 4.465 2.691 ( -0.855 -0.000 -3.166) 3.279 2.873 ( 3.875 -0.000 4.375) 5.844 2.942 ( 1.320 -0.000 -3.374) 3.623 3.136 ( 2.202 -0.000 6.067) 6.454 3.212 ( 1.473 -0.000 -0.883) 1.718 3.389 ( -3.023 -0.000 2.360) 3.835 3.404 ( -3.724 -0.000 0.325) 3.738 3.482 ( -0.248 -0.000 -0.707) 0.750 3.515 ( -2.920 -0.000 -3.848) 4.830 3.600 ( -1.689 0.000 1.623) 2.343 3.642 ( -2.350 -0.000 -2.250) 3.254 4.455 ( -33.526 -0.000 0.189) 33.526 4.459 ( -33.724 -0.000 -0.267) 33.725 4.962 ( 3.936 -0.000 0.958) 4.050 4.978 ( 4.375 -0.000 -0.855) 4.457 5.595 ( 24.235 -0.000 0.176) 24.235 5.603 ( 22.509 -0.000 -0.764) 22.522 5.676 ( -3.031 -0.000 0.351) 3.051 5.680 ( -2.928 -0.000 -0.098) 2.930 5.814 ( -0.403 -0.000 3.646) 3.668 5.875 ( -0.888 -0.000 -3.116) 3.240 7.532 ( -1.008 -0.000 0.214) 1.030 7.534 ( -0.671 -0.000 0.020) 0.671 7.607 ( -0.335 0.000 0.188) 0.384 7.612 ( -0.892 -0.000 -0.382) 0.971 8.128 ( 2.189 -0.000 0.455) 2.236 8.136 ( 2.124 -0.000 -0.431) 2.167 9.221 ( -2.666 -0.000 1.085) 2.879 9.240 ( -2.672 -0.000 -1.021) 2.860 12.254 ( 0.161 -0.000 0.439) 0.468 12.262 ( -0.248 -0.000 -0.476) 0.537 14.088 ( -2.176 0.000 1.241) 2.505 14.100 ( -1.689 -0.000 -0.028) 1.690 14.278 ( 0.710 -0.000 0.279) 0.763 14.304 ( 0.286 -0.000 -2.720) 2.735 14.664 ( 0.090 -0.000 4.826) 4.827 14.739 ( 0.063 -0.000 -3.480) 3.481 ======================= Grid point 410 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.393 2.264 2.980) 3.763 1.487 ( -0.144 2.503 -2.342) 3.430 1.565 ( -5.679 1.093 0.884) 5.850 1.623 ( -4.759 -3.455 -1.262) 6.014 2.103 ( -6.145 2.327 4.195) 7.796 2.170 ( -6.793 -1.134 -4.737) 8.359 2.371 ( 6.228 1.166 1.378) 6.484 2.394 ( 6.064 0.376 -2.124) 6.436 2.545 ( 5.345 1.831 2.316) 6.106 2.580 ( 6.265 1.259 -3.644) 7.357 2.662 ( 0.561 -1.880 0.725) 2.092 2.699 ( 1.313 -4.149 -0.885) 4.440 2.941 ( 1.825 0.021 0.522) 1.898 2.957 ( 1.099 -1.232 -1.013) 1.937 3.176 ( -11.340 2.583 4.400) 12.435 3.231 ( -1.212 -1.538 1.060) 2.226 3.307 ( -4.145 2.468 0.506) 4.851 3.346 ( -3.174 -2.177 0.516) 3.883 3.352 ( -9.949 -0.272 5.530) 11.386 3.420 ( -3.445 0.651 -8.308) 9.018 3.534 ( -2.745 3.775 -0.596) 4.706 3.606 ( -3.111 -4.094 -0.785) 5.201 3.929 ( -16.551 1.875 0.683) 16.670 3.949 ( -15.918 0.048 -0.403) 15.924 5.066 ( 6.190 0.456 0.668) 6.243 5.082 ( 6.342 -0.820 -0.647) 6.427 5.586 ( -6.456 0.238 0.051) 6.461 5.593 ( -6.069 -0.646 0.078) 6.103 5.724 ( -3.710 -0.290 3.792) 5.313 5.760 ( -3.109 -0.277 -3.985) 5.062 6.041 ( 17.066 0.222 0.261) 17.069 6.047 ( 16.919 -0.449 0.012) 16.925 7.507 ( -1.779 0.123 0.383) 1.824 7.511 ( -1.593 -0.004 -0.297) 1.620 7.590 ( -0.866 0.541 -0.014) 1.021 7.599 ( -0.921 -0.543 -0.042) 1.070 8.191 ( 4.513 0.237 0.220) 4.525 8.196 ( 4.442 -0.176 -0.207) 4.450 9.156 ( -4.589 0.065 0.928) 4.682 9.165 ( -4.761 0.071 -0.887) 4.844 12.252 ( -0.590 0.155 -0.031) 0.611 12.253 ( -0.276 -0.009 -0.024) 0.277 14.056 ( -1.828 -0.667 0.741) 2.082 14.072 ( -2.199 -2.207 -0.117) 3.118 14.286 ( 1.195 2.289 -0.288) 2.599 14.313 ( 1.287 -0.857 -0.861) 1.770 14.653 ( -1.076 4.686 2.033) 5.220 14.738 ( -0.912 -4.087 -1.364) 4.404 ======================= Grid point 411 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -7.606 -0.690 0.000) 7.637 1.540 ( -7.606 0.690 0.000) 7.637 1.684 ( -3.367 -0.323 0.000) 3.383 1.684 ( -3.367 0.323 0.000) 3.383 2.229 ( 0.487 -2.485 0.000) 2.532 2.229 ( 0.487 2.485 0.000) 2.532 2.256 ( 2.809 -1.589 0.000) 3.228 2.256 ( 2.809 1.589 0.000) 3.228 2.417 ( 9.537 -0.069 0.000) 9.537 2.417 ( 9.537 0.069 0.000) 9.537 2.656 ( -0.339 -0.029 0.000) 0.341 2.656 ( -0.339 0.029 0.000) 0.341 2.909 ( 2.520 -0.025 0.000) 2.520 2.909 ( 2.520 0.025 0.000) 2.520 3.186 ( 2.607 -0.666 0.000) 2.691 3.186 ( 2.607 0.666 0.000) 2.691 3.402 ( -3.223 -1.211 -0.000) 3.443 3.402 ( -3.223 1.211 0.000) 3.443 3.488 ( -2.185 -0.296 0.000) 2.205 3.488 ( -2.185 0.296 0.000) 2.205 3.620 ( -2.130 -3.777 0.000) 4.336 3.620 ( -2.130 3.777 0.000) 4.336 4.457 ( -33.626 -0.055 -0.000) 33.626 4.457 ( -33.626 0.055 -0.000) 33.626 4.970 ( 4.154 -0.206 0.000) 4.159 4.970 ( 4.154 0.206 0.000) 4.159 5.597 ( 23.384 -0.012 0.000) 23.384 5.597 ( 23.384 0.012 0.000) 23.384 5.678 ( -3.023 -0.065 -0.000) 3.023 5.678 ( -3.023 0.065 -0.000) 3.023 5.846 ( -0.583 -0.187 0.000) 0.613 5.846 ( -0.583 0.187 0.000) 0.613 7.533 ( -0.835 -0.027 -0.000) 0.835 7.533 ( -0.835 0.027 -0.000) 0.835 7.609 ( -0.616 -0.509 0.000) 0.799 7.609 ( -0.616 0.509 0.000) 0.799 8.132 ( 2.156 -0.112 0.000) 2.159 8.132 ( 2.156 0.112 0.000) 2.159 9.230 ( -2.664 -0.060 0.000) 2.665 9.230 ( -2.664 0.060 0.000) 2.665 12.258 ( -0.051 -0.060 0.000) 0.079 12.258 ( -0.051 0.060 0.000) 0.079 14.097 ( -1.937 -1.143 -0.000) 2.249 14.097 ( -1.937 1.143 0.000) 2.249 14.285 ( 0.514 -0.790 0.000) 0.942 14.285 ( 0.514 0.790 0.000) 0.942 14.704 ( 0.081 -2.772 0.000) 2.773 14.704 ( 0.081 2.772 0.000) 2.773 ======================= Grid point 421 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -8.919 11.056 0.000) 14.205 1.451 ( 1.409 9.080 0.000) 9.189 1.592 ( 5.683 2.146 0.000) 6.075 1.607 ( -1.605 -5.898 -0.000) 6.113 1.955 ( -7.533 4.254 0.000) 8.651 2.020 ( -8.775 -0.455 -0.000) 8.787 2.446 ( 2.215 0.119 0.000) 2.219 2.450 ( 0.455 1.141 0.000) 1.228 2.491 ( -27.352 0.770 -0.000) 27.363 2.520 ( -20.829 -0.535 -0.000) 20.835 2.631 ( 0.710 -0.952 -0.000) 1.188 2.661 ( -2.247 -2.699 -0.000) 3.511 2.880 ( -7.915 0.104 -0.000) 7.916 2.905 ( 1.283 -1.461 -0.000) 1.945 2.993 ( 0.151 0.101 0.000) 0.182 3.003 ( -2.076 0.205 -0.000) 2.086 3.310 ( 2.454 0.779 0.000) 2.575 3.373 ( 3.235 -2.587 -0.000) 4.142 3.390 ( 2.249 1.201 0.000) 2.549 3.400 ( 2.169 0.371 0.000) 2.201 3.492 ( 2.104 0.761 0.000) 2.237 3.578 ( -2.192 -3.437 -0.000) 4.077 3.835 ( 0.548 1.289 0.000) 1.401 3.843 ( 4.367 1.224 0.000) 4.535 5.172 ( 5.130 0.366 0.000) 5.143 5.203 ( 5.189 -1.338 0.000) 5.358 5.443 ( -8.333 -0.407 -0.000) 8.342 5.467 ( -8.162 -1.746 -0.000) 8.347 5.638 ( -5.541 1.183 -0.000) 5.666 5.685 ( -3.689 -1.531 -0.000) 3.994 6.306 ( 10.843 -0.181 0.000) 10.845 6.308 ( 10.366 -0.322 0.000) 10.371 7.468 ( -2.042 0.347 -0.000) 2.071 7.478 ( -1.842 -0.246 -0.000) 1.858 7.571 ( -0.787 0.457 0.000) 0.910 7.585 ( -0.936 -0.412 -0.000) 1.023 8.294 ( 6.609 0.296 0.000) 6.615 8.300 ( 6.402 -0.081 0.000) 6.403 9.056 ( -6.039 0.526 -0.000) 6.062 9.060 ( -5.944 0.131 -0.000) 5.945 12.236 ( -0.726 0.341 0.000) 0.802 12.250 ( -0.203 -0.438 -0.000) 0.483 14.038 ( -1.404 -2.079 -0.000) 2.509 14.050 ( -2.384 -2.892 -0.000) 3.748 14.300 ( 2.805 2.703 0.000) 3.895 14.349 ( 2.144 0.029 0.000) 2.144 14.579 ( -2.816 5.267 0.000) 5.973 14.733 ( -3.371 -4.346 -0.000) 5.500 ======================= Grid point 432 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 16.159 0.000) 16.159 1.321 ( 0.000 13.235 0.000) 13.235 1.497 ( -0.000 -12.442 -0.000) 12.442 1.538 ( 0.000 0.148 0.000) 0.148 1.764 ( 0.000 9.554 0.000) 9.554 1.843 ( 0.000 14.512 0.000) 14.512 1.882 ( 0.000 10.132 0.000) 10.132 1.909 ( 0.000 2.517 0.000) 2.517 2.472 ( -0.000 -8.264 -0.000) 8.264 2.494 ( -0.000 -7.897 -0.000) 7.897 2.602 ( 0.000 0.852 0.000) 0.852 2.644 ( -0.000 -1.262 -0.000) 1.262 2.866 ( 0.000 2.712 0.000) 2.712 2.918 ( -0.000 -0.743 -0.000) 0.743 2.935 ( 0.000 0.209 0.000) 0.209 3.080 ( -0.000 -7.483 -0.000) 7.483 3.337 ( 0.000 1.130 0.000) 1.130 3.367 ( -0.000 -1.066 -0.000) 1.066 3.498 ( 0.000 0.162 0.000) 0.162 3.523 ( -0.000 -0.434 -0.000) 0.434 3.578 ( 0.000 0.481 0.000) 0.481 3.600 ( -0.000 -0.998 -0.000) 0.998 3.903 ( 0.000 2.820 0.000) 2.820 4.052 ( -0.000 -5.848 -0.000) 5.848 5.211 ( -0.000 -1.845 -0.000) 1.845 5.216 ( -0.000 -2.321 -0.000) 2.321 5.285 ( -0.000 -0.131 -0.000) 0.131 5.293 ( -0.000 -0.530 -0.000) 0.530 5.535 ( 0.000 2.123 0.000) 2.123 5.603 ( -0.000 -2.148 -0.000) 2.148 6.483 ( 0.000 0.716 0.000) 0.716 6.495 ( -0.000 -0.245 -0.000) 0.245 7.422 ( 0.000 0.328 0.000) 0.328 7.431 ( -0.000 -0.282 -0.000) 0.282 7.553 ( 0.000 0.362 0.000) 0.362 7.565 ( -0.000 -0.401 -0.000) 0.401 8.497 ( 0.000 0.160 0.000) 0.160 8.498 ( 0.000 0.055 0.000) 0.055 8.879 ( 0.000 0.455 0.000) 0.455 8.880 ( 0.000 0.641 0.000) 0.641 12.223 ( 0.000 0.421 0.000) 0.421 12.247 ( -0.000 -1.043 -0.000) 1.043 13.995 ( -0.000 -1.244 -0.000) 1.244 14.008 ( -0.000 -2.270 -0.000) 2.270 14.440 ( 0.000 2.683 0.000) 2.683 14.461 ( 0.000 3.029 0.000) 3.029 14.497 ( -0.000 -0.947 -0.000) 0.947 14.503 ( 0.000 0.117 0.000) 0.117 ======================= Grid point 433 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -6.547 12.706 0.103) 14.294 1.433 ( -3.451 -9.029 -0.381) 9.673 1.576 ( -8.653 10.033 0.286) 13.252 1.700 ( -6.302 -4.781 0.796) 7.950 1.842 ( -4.138 10.267 0.118) 11.070 1.905 ( -1.200 2.496 0.366) 2.793 2.002 ( -13.703 2.235 0.714) 13.902 2.049 ( -15.703 -2.793 0.648) 15.962 2.445 ( -1.166 -1.269 -3.829) 4.199 2.468 ( -2.871 -2.217 0.850) 3.726 2.609 ( 0.541 -0.632 -2.771) 2.893 2.640 ( -1.474 -1.004 3.747) 4.150 2.861 ( 1.458 2.314 -0.433) 2.769 2.905 ( 0.641 -2.495 -0.124) 2.579 2.978 ( -2.052 1.512 0.427) 2.584 3.014 ( 0.982 -3.131 0.113) 3.283 3.346 ( 0.209 0.640 -3.302) 3.370 3.381 ( -1.463 -0.796 1.298) 2.112 3.447 ( 5.169 0.617 1.013) 5.303 3.467 ( 4.388 -0.924 1.993) 4.907 3.545 ( 2.982 -0.147 -3.448) 4.561 3.583 ( 1.685 -0.584 4.256) 4.614 3.892 ( 3.255 2.616 -0.964) 4.286 3.942 ( 5.530 -3.277 -0.770) 6.474 5.240 ( 0.189 0.386 0.152) 0.456 5.255 ( -0.149 -1.414 0.171) 1.432 5.295 ( -5.129 -0.548 -0.802) 5.220 5.303 ( -5.048 -0.870 0.429) 5.141 5.572 ( -2.361 1.890 -1.188) 3.249 5.612 ( -2.765 -1.804 1.222) 3.521 6.444 ( 4.741 0.153 -0.438) 4.764 6.450 ( 4.756 -0.138 0.400) 4.775 7.438 ( -1.347 0.309 -0.127) 1.388 7.444 ( -1.443 -0.305 0.122) 1.480 7.561 ( -0.501 0.369 -0.101) 0.631 7.568 ( -0.562 -0.366 0.057) 0.673 8.424 ( 6.497 0.085 -0.147) 6.499 8.426 ( 6.423 0.054 0.130) 6.425 8.947 ( -5.605 0.334 0.041) 5.615 8.948 ( -5.731 0.158 0.048) 5.734 12.230 ( -0.310 0.507 -0.097) 0.602 12.241 ( -0.216 -0.748 0.136) 0.790 13.999 ( -1.087 -0.994 -0.552) 1.573 14.004 ( -1.069 -1.153 0.199) 1.585 14.389 ( 4.659 1.365 0.052) 4.855 14.399 ( 3.326 0.176 0.346) 3.349 14.550 ( -4.094 4.106 -0.624) 5.832 14.613 ( -5.830 -3.338 0.256) 6.723 ======================= Grid point 434 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -6.356 0.000 -3.628) 7.319 1.490 ( -6.267 -0.000 1.788) 6.517 1.551 ( 7.488 0.000 -2.074) 7.770 1.628 ( 8.228 -0.000 5.411) 9.847 1.966 ( -6.926 0.000 -3.510) 7.764 2.051 ( -8.162 -0.000 5.390) 9.781 2.421 ( 0.297 0.000 -4.881) 4.890 2.475 ( -14.140 -0.000 -0.339) 14.144 2.499 ( -24.545 -0.000 1.156) 24.573 2.511 ( -7.807 -0.000 4.033) 8.787 2.584 ( -1.409 0.000 -5.204) 5.391 2.687 ( -0.155 -0.000 5.982) 5.984 2.878 ( -3.112 0.000 -1.790) 3.591 2.879 ( -5.003 0.000 -2.491) 5.589 2.984 ( 0.506 0.000 -0.680) 0.847 3.041 ( -2.977 -0.000 5.409) 6.174 3.301 ( 0.982 0.000 -4.823) 4.922 3.334 ( 4.457 0.000 -6.768) 8.103 3.347 ( 5.351 0.000 -0.727) 5.400 3.445 ( -0.017 -0.000 3.768) 3.768 3.523 ( -2.542 -0.000 1.462) 2.933 3.562 ( 2.104 -0.000 5.745) 6.118 3.827 ( 1.818 0.000 -2.807) 3.344 3.861 ( 1.445 -0.000 0.825) 1.664 5.176 ( 5.339 0.000 -0.823) 5.402 5.193 ( 4.993 0.000 1.062) 5.105 5.443 ( -8.857 -0.000 -0.467) 8.869 5.447 ( -8.517 -0.000 -0.079) 8.517 5.626 ( -4.028 0.000 -3.679) 5.456 5.696 ( -4.840 -0.000 3.917) 6.227 6.299 ( 10.641 0.000 -0.742) 10.667 6.309 ( 10.742 0.000 0.417) 10.750 7.469 ( -1.935 -0.000 -0.481) 1.994 7.478 ( -2.000 -0.000 0.417) 2.043 7.574 ( -0.873 0.000 -0.375) 0.950 7.581 ( -0.864 -0.000 0.353) 0.934 8.296 ( 6.580 0.000 -0.237) 6.584 8.300 ( 6.471 0.000 0.205) 6.474 9.057 ( -5.642 -0.000 -0.438) 5.659 9.065 ( -6.142 -0.000 0.434) 6.157 12.239 ( -0.679 0.000 -0.325) 0.752 12.247 ( -0.432 -0.000 0.453) 0.626 14.014 ( -1.561 0.000 -1.238) 1.992 14.029 ( -1.818 -0.000 0.326) 1.847 14.337 ( 2.754 0.000 0.499) 2.798 14.341 ( 2.079 -0.000 1.128) 2.366 14.628 ( -2.503 0.000 -3.913) 4.646 14.688 ( -3.590 -0.000 2.763) 4.530 ======================= Grid point 444 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 15.382 2.326) 15.557 1.328 ( 0.000 13.105 1.462) 13.186 1.482 ( -0.000 -11.232 -3.320) 11.712 1.535 ( -0.000 0.965 -0.709) 1.198 1.762 ( 0.000 9.067 0.023) 9.067 1.862 ( 0.000 14.045 3.850) 14.563 1.868 ( -0.000 7.345 -1.349) 7.468 1.938 ( 0.000 4.662 4.578) 6.534 2.444 ( -0.000 -6.686 -5.626) 8.738 2.478 ( -0.000 -7.474 -3.292) 8.167 2.619 ( 0.000 -0.710 3.075) 3.156 2.648 ( 0.000 -1.777 0.984) 2.031 2.872 ( 0.000 2.521 1.040) 2.727 2.904 ( -0.000 -0.479 -3.270) 3.305 2.939 ( 0.000 0.461 1.298) 1.377 3.068 ( -0.000 -6.996 -2.517) 7.435 3.340 ( 0.000 0.969 0.567) 1.123 3.372 ( 0.000 -1.334 0.978) 1.654 3.510 ( 0.000 0.066 2.725) 2.726 3.530 ( 0.000 -0.029 1.464) 1.464 3.582 ( 0.000 0.093 1.212) 1.216 3.601 ( 0.000 -0.987 0.167) 1.001 3.898 ( -0.000 2.500 -1.224) 2.783 4.040 ( -0.000 -5.652 -2.747) 6.285 5.210 ( -0.000 -1.857 -0.237) 1.872 5.214 ( -0.000 -2.280 -0.366) 2.309 5.287 ( 0.000 -0.139 0.452) 0.473 5.295 ( 0.000 -0.527 0.413) 0.669 5.535 ( 0.000 2.080 0.139) 2.085 5.601 ( -0.000 -2.041 -0.428) 2.085 6.483 ( 0.000 0.680 0.103) 0.688 6.495 ( 0.000 -0.255 0.028) 0.257 7.422 ( 0.000 0.301 0.071) 0.310 7.431 ( -0.000 -0.276 -0.037) 0.278 7.553 ( 0.000 0.347 0.013) 0.348 7.565 ( -0.000 -0.373 -0.130) 0.395 8.497 ( -0.000 0.156 -0.006) 0.157 8.498 ( -0.000 0.057 -0.026) 0.062 8.880 ( 0.000 0.625 0.131) 0.638 8.880 ( 0.000 0.419 0.206) 0.467 12.224 ( 0.000 0.385 0.145) 0.411 12.246 ( -0.000 -1.006 -0.119) 1.013 13.994 ( -0.000 -1.261 -0.191) 1.276 14.007 ( -0.000 -2.203 -0.424) 2.244 14.440 ( 0.000 2.651 0.022) 2.651 14.461 ( 0.000 3.007 0.109) 3.009 14.495 ( -0.000 -0.894 -0.260) 0.931 14.503 ( -0.000 0.143 -0.015) 0.144 ======================= Grid point 445 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -5.890 11.009 0.232) 12.488 1.425 ( -4.202 -8.186 -1.494) 9.322 1.583 ( -7.565 11.102 1.575) 13.527 1.714 ( -7.169 -5.067 2.143) 9.037 1.843 ( -6.540 10.172 -0.016) 12.093 1.913 ( -1.060 2.903 1.529) 3.448 2.012 ( -13.288 1.247 1.423) 13.422 2.060 ( -13.138 -2.406 1.690) 13.463 2.404 ( -0.798 -0.695 -5.196) 5.303 2.457 ( -4.931 -3.061 -3.334) 6.693 2.596 ( 2.348 -0.294 -0.057) 2.367 2.674 ( -2.593 -0.925 3.898) 4.772 2.847 ( 1.550 1.139 -3.015) 3.576 2.908 ( 0.666 -1.141 1.072) 1.702 2.979 ( -1.637 -0.231 -0.583) 1.753 3.021 ( -1.320 -1.300 1.994) 2.722 3.313 ( 2.512 0.188 -3.671) 4.452 3.379 ( 1.078 -0.390 -1.594) 1.964 3.470 ( 5.660 0.497 3.384) 6.613 3.493 ( 3.545 -0.597 3.680) 5.144 3.521 ( 2.432 -0.540 -1.359) 2.838 3.623 ( 0.257 -0.482 4.458) 4.491 3.876 ( 3.539 1.832 -2.652) 4.787 3.928 ( 4.608 -2.665 -2.279) 5.791 5.242 ( 0.309 0.377 0.416) 0.641 5.258 ( -0.507 -1.382 0.490) 1.551 5.286 ( -5.607 -0.778 -1.100) 5.767 5.306 ( -4.100 -0.609 0.078) 4.145 5.557 ( -1.369 0.943 -1.813) 2.460 5.627 ( -3.923 -0.842 1.896) 4.438 6.440 ( 4.997 0.092 -0.517) 5.025 6.454 ( 4.615 -0.105 0.413) 4.635 7.436 ( -1.223 0.175 -0.218) 1.254 7.445 ( -1.550 -0.183 0.202) 1.574 7.560 ( -0.415 0.234 -0.211) 0.522 7.568 ( -0.666 -0.226 0.098) 0.710 8.423 ( 6.508 0.069 -0.159) 6.510 8.427 ( 6.415 0.068 0.115) 6.416 8.948 ( -5.545 0.320 0.109) 5.556 8.949 ( -5.715 0.135 0.121) 5.717 12.228 ( -0.202 0.256 -0.179) 0.372 12.243 ( -0.360 -0.499 0.281) 0.677 13.992 ( -0.769 -1.080 -0.825) 1.561 14.004 ( -1.284 -1.024 -0.117) 1.646 14.390 ( 4.317 1.427 0.424) 4.566 14.404 ( 3.232 0.098 0.718) 3.312 14.540 ( -3.408 3.301 -1.592) 5.005 14.617 ( -6.237 -2.496 0.550) 6.740 ======================= Grid point 446 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -5.926 0.000 -3.568) 6.918 1.488 ( -0.645 0.000 -1.912) 2.018 1.555 ( 2.149 -0.000 2.593) 3.368 1.677 ( 8.762 -0.000 5.517) 10.354 1.942 ( -6.257 -0.000 -1.873) 6.531 2.096 ( -8.536 -0.000 4.691) 9.740 2.379 ( -0.388 0.000 -4.544) 4.561 2.472 ( -17.592 -0.000 -0.335) 17.596 2.508 ( -26.661 -0.000 0.757) 26.671 2.538 ( 1.957 0.000 -2.266) 2.994 2.552 ( -9.350 -0.000 2.167) 9.598 2.738 ( -1.339 -0.000 5.146) 5.317 2.847 ( -6.008 0.000 -4.435) 7.467 2.869 ( 1.726 0.000 0.456) 1.785 2.982 ( 0.264 0.000 0.018) 0.265 3.089 ( -2.571 -0.000 5.081) 5.695 3.250 ( 0.250 0.000 -6.607) 6.612 3.271 ( 5.733 0.000 -6.264) 8.491 3.343 ( 6.342 0.000 -0.802) 6.392 3.474 ( 0.001 -0.000 2.898) 2.898 3.543 ( -2.822 -0.000 2.838) 4.002 3.615 ( 1.928 -0.000 5.632) 5.953 3.801 ( 1.610 0.000 -2.861) 3.283 3.863 ( 0.772 0.000 -0.331) 0.840 5.169 ( 5.624 0.000 -0.626) 5.659 5.202 ( 4.978 0.000 1.029) 5.083 5.438 ( -9.129 -0.000 -0.625) 9.150 5.445 ( -8.510 -0.000 -0.284) 8.514 5.596 ( -3.662 0.000 -3.054) 4.768 5.729 ( -5.242 -0.000 3.473) 6.288 6.292 ( 10.687 0.000 -0.824) 10.719 6.312 ( 10.843 0.000 0.275) 10.846 7.465 ( -1.887 -0.000 -0.428) 1.935 7.481 ( -2.002 -0.000 0.322) 2.028 7.571 ( -0.910 0.000 -0.320) 0.964 7.584 ( -0.887 -0.000 0.287) 0.932 8.294 ( 6.626 0.000 -0.213) 6.629 8.302 ( 6.420 0.000 0.162) 6.422 9.053 ( -5.375 -0.000 -0.378) 5.388 9.068 ( -6.325 -0.000 0.372) 6.336 12.237 ( -0.795 -0.000 -0.219) 0.825 12.251 ( -0.327 -0.000 0.429) 0.539 14.003 ( -1.378 0.000 -1.313) 1.903 14.030 ( -1.846 -0.000 -0.159) 1.853 14.343 ( 2.859 0.000 0.753) 2.956 14.356 ( 1.483 -0.000 2.201) 2.654 14.591 ( -1.863 0.000 -4.293) 4.679 14.709 ( -4.006 -0.000 2.105) 4.525 ======================= Grid point 456 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 13.235 4.170) 13.876 1.346 ( -0.000 12.717 2.639) 12.988 1.440 ( 0.000 -8.283 -5.797) 10.111 1.525 ( -0.000 3.058 -1.738) 3.517 1.772 ( 0.000 7.490 2.520) 7.903 1.866 ( 0.000 5.991 1.060) 6.084 1.902 ( -0.000 13.148 4.615) 13.934 1.978 ( 0.000 4.806 3.896) 6.187 2.385 ( -0.000 -5.244 -6.907) 8.672 2.438 ( 0.000 -6.794 -5.406) 8.683 2.648 ( 0.000 -2.075 3.228) 3.838 2.662 ( -0.000 -2.617 2.102) 3.356 2.865 ( 0.000 0.098 -5.035) 5.036 2.880 ( 0.000 1.616 0.311) 1.646 2.956 ( 0.000 0.879 2.280) 2.443 3.040 ( 0.000 -5.362 -3.208) 6.249 3.346 ( -0.000 0.542 0.638) 0.837 3.379 ( -0.000 -1.656 0.403) 1.704 3.543 ( -0.000 -0.254 4.130) 4.138 3.545 ( -0.000 0.819 1.434) 1.651 3.603 ( -0.000 -0.731 3.693) 3.765 3.605 ( 0.000 -0.950 1.218) 1.545 3.881 ( -0.000 1.613 -2.431) 2.917 4.005 ( -0.000 -5.127 -5.143) 7.262 5.207 ( -0.000 -1.889 -0.331) 1.917 5.210 ( -0.000 -2.194 -0.509) 2.253 5.293 ( 0.000 -0.143 0.677) 0.692 5.300 ( -0.000 -0.499 0.575) 0.761 5.538 ( 0.000 1.912 0.395) 1.952 5.595 ( 0.000 -1.724 -0.832) 1.914 6.484 ( 0.000 0.575 0.201) 0.609 6.496 ( -0.000 -0.267 0.004) 0.267 7.423 ( 0.000 0.228 0.127) 0.262 7.431 ( 0.000 -0.254 -0.074) 0.264 7.554 ( 0.000 0.303 0.038) 0.306 7.563 ( 0.000 -0.298 -0.225) 0.373 8.497 ( 0.000 0.147 -0.008) 0.147 8.498 ( 0.000 0.062 -0.044) 0.076 8.882 ( 0.000 0.576 0.226) 0.619 8.883 ( 0.000 0.338 0.308) 0.457 12.225 ( -0.000 0.280 0.271) 0.390 12.245 ( -0.000 -0.901 -0.228) 0.929 13.991 ( -0.000 -1.308 -0.325) 1.347 14.001 ( -0.000 -2.033 -0.700) 2.150 14.440 ( -0.000 2.557 0.123) 2.560 14.462 ( -0.000 2.896 0.062) 2.897 14.493 ( 0.000 -0.701 -0.310) 0.767 14.502 ( -0.000 0.214 -0.070) 0.225 ======================= Grid point 457 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -4.766 7.975 0.228) 9.294 1.407 ( -5.090 -5.473 -2.402) 7.851 1.604 ( -7.078 11.609 3.051) 13.935 1.738 ( -7.786 -5.357 3.168) 9.968 1.840 ( -10.095 9.459 -0.730) 13.854 1.932 ( 0.813 3.992 2.641) 4.855 2.025 ( -13.181 0.288 1.411) 13.259 2.076 ( -10.213 -2.199 1.712) 10.586 2.358 ( -1.018 -0.445 -4.940) 5.064 2.415 ( -5.984 -3.380 -5.585) 8.856 2.606 ( 2.631 -0.460 1.946) 3.305 2.710 ( -3.123 -0.325 4.098) 5.163 2.809 ( 1.483 -0.237 -4.989) 5.210 2.921 ( -0.665 0.281 1.335) 1.518 2.967 ( -0.910 -1.586 -1.691) 2.491 3.048 ( -3.591 0.279 3.496) 5.019 3.282 ( 4.987 0.031 -3.148) 5.898 3.361 ( 3.947 -0.558 -2.221) 4.563 3.482 ( 6.504 0.490 -0.595) 6.549 3.526 ( 3.149 -0.730 3.236) 4.574 3.541 ( 1.803 -0.240 5.537) 5.828 3.661 ( -0.537 -0.534 3.917) 3.989 3.847 ( 3.542 0.767 -3.727) 5.199 3.902 ( 3.147 -1.932 -3.531) 5.109 5.247 ( 0.572 0.332 0.560) 0.867 5.263 ( -1.419 -1.305 0.742) 2.066 5.276 ( -5.647 -0.873 -1.040) 5.808 5.304 ( -3.035 -0.448 -0.376) 3.091 5.542 ( -0.597 0.459 -1.584) 1.754 5.644 ( -4.962 -0.340 1.676) 5.248 6.435 ( 5.245 0.066 -0.458) 5.266 6.457 ( 4.556 -0.125 0.323) 4.569 7.434 ( -1.102 0.091 -0.195) 1.123 7.447 ( -1.643 -0.119 0.175) 1.657 7.558 ( -0.334 0.130 -0.215) 0.418 7.569 ( -0.776 -0.114 0.076) 0.788 8.422 ( 6.528 0.062 -0.137) 6.529 8.428 ( 6.398 0.071 0.083) 6.399 8.949 ( -5.437 0.287 0.143) 5.447 8.950 ( -5.700 0.108 0.139) 5.703 12.227 ( -0.106 0.039 -0.152) 0.189 12.245 ( -0.514 -0.285 0.279) 0.651 13.985 ( -0.531 -1.106 -0.833) 1.483 14.002 ( -1.361 -0.929 -0.367) 1.688 14.396 ( 3.961 1.612 0.819) 4.354 14.411 ( 2.809 -0.117 0.878) 2.945 14.523 ( -2.434 2.517 -2.093) 4.079 14.622 ( -6.679 -1.650 0.554) 6.902 ======================= Grid point 458 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -5.459 0.000 -2.991) 6.225 1.469 ( 1.736 0.000 -1.885) 2.563 1.582 ( 0.288 -0.000 3.068) 3.081 1.724 ( 9.667 -0.000 4.901) 10.838 1.930 ( -5.909 -0.000 -0.881) 5.974 2.132 ( -8.731 -0.000 3.132) 9.276 2.343 ( -0.693 0.000 -3.407) 3.476 2.469 ( -16.614 -0.000 -0.195) 16.615 2.509 ( -5.405 0.000 -2.822) 6.097 2.511 ( -29.673 -0.000 -0.023) 29.673 2.586 ( -4.555 -0.000 4.126) 6.146 2.775 ( -0.737 -0.000 3.133) 3.218 2.802 ( -7.871 0.000 -5.653) 9.690 2.892 ( 4.796 -0.000 4.702) 6.716 2.982 ( -0.594 -0.000 0.032) 0.595 3.123 ( 3.221 -0.000 1.906) 3.743 3.185 ( 0.682 0.000 -7.859) 7.888 3.232 ( 1.288 0.000 -1.907) 2.301 3.334 ( 7.348 0.000 -1.104) 7.430 3.498 ( 0.684 -0.000 2.438) 2.532 3.569 ( -1.888 -0.000 2.795) 3.373 3.656 ( 0.638 -0.000 3.281) 3.343 3.779 ( 1.503 0.000 -1.761) 2.315 3.857 ( -0.153 0.000 -1.050) 1.061 5.165 ( 5.913 0.000 -0.413) 5.928 5.211 ( 5.045 0.000 0.836) 5.114 5.432 ( -9.378 -0.000 -0.602) 9.397 5.442 ( -8.588 -0.000 -0.342) 8.595 5.572 ( -3.375 0.000 -2.169) 4.011 5.757 ( -5.608 -0.000 2.634) 6.196 6.285 ( 10.791 0.000 -0.743) 10.817 6.314 ( 10.938 0.000 0.164) 10.940 7.462 ( -1.842 -0.000 -0.321) 1.869 7.483 ( -1.988 -0.000 0.212) 1.999 7.569 ( -0.958 -0.000 -0.230) 0.985 7.586 ( -0.914 -0.000 0.200) 0.935 8.292 ( 6.661 0.000 -0.162) 6.663 8.303 ( 6.379 0.000 0.110) 6.380 9.050 ( -5.144 -0.000 -0.280) 5.152 9.071 ( -6.452 -0.000 0.273) 6.458 12.236 ( -0.890 -0.000 -0.124) 0.898 12.254 ( -0.248 -0.000 0.334) 0.416 13.992 ( -1.221 0.000 -1.083) 1.633 14.027 ( -1.842 -0.000 -0.379) 1.881 14.350 ( 2.880 0.000 0.679) 2.959 14.380 ( 0.757 -0.000 3.041) 3.134 14.552 ( -1.150 0.000 -4.386) 4.534 14.725 ( -4.313 -0.000 1.422) 4.541 ======================= Grid point 469 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.000 10.155 5.420) 11.511 1.369 ( 0.000 8.073 -0.204) 8.076 1.387 ( -0.000 -0.793 -3.407) 3.498 1.504 ( 0.000 5.450 -2.745) 6.102 1.807 ( 0.000 5.862 5.198) 7.834 1.884 ( 0.000 5.581 2.649) 6.178 1.939 ( 0.000 11.792 3.426) 12.280 2.002 ( 0.000 4.682 1.083) 4.806 2.329 ( -0.000 -4.856 -5.246) 7.149 2.387 ( -0.000 -6.332 -5.891) 8.649 2.676 ( 0.000 -2.371 3.063) 3.873 2.686 ( -0.000 -3.156 3.423) 4.656 2.819 ( 0.000 0.385 -5.037) 5.052 2.869 ( -0.000 -0.388 -2.886) 2.912 2.977 ( 0.000 1.322 2.298) 2.651 3.018 ( 0.000 -2.364 -1.556) 2.830 3.351 ( -0.000 -0.071 0.616) 0.620 3.379 ( -0.000 -1.727 -0.414) 1.776 3.555 ( -0.000 0.923 0.881) 1.276 3.569 ( 0.000 -0.458 1.311) 1.389 3.632 ( -0.000 -0.863 4.928) 5.003 3.647 ( 0.000 -0.856 5.966) 6.027 3.855 ( 0.000 0.295 -3.418) 3.430 3.950 ( 0.000 -4.440 -6.861) 8.173 5.204 ( 0.000 -1.931 -0.281) 1.951 5.206 ( 0.000 -2.111 -0.434) 2.156 5.299 ( 0.000 -0.138 0.664) 0.678 5.304 ( 0.000 -0.424 0.452) 0.620 5.543 ( -0.000 1.544 0.771) 1.725 5.586 ( -0.000 -1.209 -1.170) 1.682 6.487 ( -0.000 0.411 0.278) 0.496 6.495 ( -0.000 -0.241 -0.083) 0.254 7.424 ( 0.000 0.128 0.161) 0.205 7.430 ( 0.000 -0.215 -0.109) 0.241 7.554 ( 0.000 0.234 0.080) 0.248 7.561 ( 0.000 -0.192 -0.265) 0.327 8.497 ( 0.000 0.132 -0.001) 0.132 8.498 ( 0.000 0.071 -0.050) 0.087 8.884 ( -0.000 0.498 0.255) 0.559 8.885 ( 0.000 0.270 0.265) 0.378 12.228 ( 0.000 0.116 0.363) 0.382 12.242 ( 0.000 -0.739 -0.318) 0.805 13.988 ( 0.000 -1.370 -0.330) 1.410 13.995 ( 0.000 -1.829 -0.729) 1.969 14.442 ( 0.000 2.414 0.315) 2.434 14.462 ( -0.000 2.589 -0.263) 2.602 14.491 ( -0.000 -0.282 -0.021) 0.283 14.501 ( 0.000 0.311 -0.179) 0.359 ======================= Grid point 470 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -3.491 4.362 0.159) 5.589 1.386 ( -5.886 -1.796 -2.148) 6.518 1.633 ( -7.662 11.456 3.133) 14.134 1.768 ( -8.554 -4.783 3.555) 10.426 1.831 ( -11.219 7.679 -1.307) 13.658 1.954 ( 2.988 5.428 1.968) 6.501 2.038 ( -13.586 0.068 1.523) 13.671 2.087 ( -8.437 -2.319 0.791) 8.785 2.321 ( -1.322 -0.498 -3.161) 3.462 2.365 ( -6.763 -3.651 -5.238) 9.301 2.628 ( 2.400 -0.644 3.099) 3.972 2.737 ( -0.705 1.597 -0.311) 1.773 2.773 ( -1.074 -2.466 -0.730) 2.787 2.915 ( -4.445 0.212 -2.798) 5.257 2.964 ( 1.031 -0.728 1.208) 1.747 3.077 ( -4.894 0.832 2.902) 5.750 3.258 ( 7.212 -0.255 -2.218) 7.550 3.342 ( 5.929 -0.754 -1.839) 6.253 3.475 ( 5.928 0.118 -0.716) 5.972 3.555 ( 2.900 -0.205 2.990) 4.170 3.593 ( 3.303 -0.016 5.523) 6.435 3.693 ( 0.240 -0.722 3.217) 3.306 3.812 ( 2.585 -0.098 -3.959) 4.729 3.868 ( 1.390 -1.480 -3.884) 4.382 5.252 ( 0.939 0.235 0.533) 1.105 5.267 ( -6.407 -0.995 -0.703) 6.521 5.271 ( -2.103 -1.116 0.806) 2.513 5.299 ( -1.583 -0.316 -0.704) 1.761 5.530 ( -0.097 0.190 -1.065) 1.086 5.656 ( -5.728 -0.060 1.129) 5.839 6.432 ( 5.462 0.039 -0.319) 5.471 6.459 ( 4.531 -0.144 0.204) 4.538 7.433 ( -1.013 0.043 -0.130) 1.022 7.448 ( -1.705 -0.091 0.114) 1.711 7.556 ( -0.281 0.070 -0.155) 0.328 7.570 ( -0.859 -0.047 0.043) 0.861 8.421 ( 6.544 0.057 -0.093) 6.545 8.429 ( 6.385 0.072 0.049) 6.386 8.950 ( -5.284 0.236 0.127) 5.291 8.951 ( -5.732 0.103 0.098) 5.734 12.226 ( -0.047 -0.100 -0.092) 0.143 12.248 ( -0.630 -0.151 0.196) 0.677 13.978 ( -0.368 -1.117 -0.616) 1.328 13.998 ( -1.373 -0.852 -0.381) 1.660 14.404 ( 3.734 1.725 0.709) 4.174 14.420 ( 2.097 -0.275 1.131) 2.398 14.504 ( -1.433 2.034 -2.080) 3.243 14.626 ( -6.980 -1.090 0.395) 7.076 ======================= Grid point 471 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -5.101 0.000 -1.731) 5.386 1.456 ( 2.252 0.000 -1.006) 2.466 1.605 ( 0.285 -0.000 1.913) 1.934 1.761 ( 10.992 0.000 3.148) 11.434 1.924 ( -6.265 -0.000 -0.534) 6.287 2.151 ( -8.836 -0.000 1.359) 8.940 2.320 ( -0.789 0.000 -1.691) 1.866 2.468 ( -11.220 -0.000 -0.157) 11.222 2.490 ( -13.110 -0.000 -1.311) 13.176 2.509 ( -31.921 -0.000 -0.339) 31.923 2.623 ( -2.246 -0.000 4.089) 4.665 2.751 ( -10.521 0.000 -5.426) 11.838 2.795 ( 2.597 -0.000 1.516) 3.007 2.945 ( 2.633 -0.000 6.050) 6.598 2.986 ( -1.144 -0.000 1.338) 1.761 3.111 ( 2.323 0.000 -8.498) 8.810 3.125 ( 11.231 0.000 -0.705) 11.254 3.233 ( -6.606 -0.000 1.281) 6.729 3.324 ( 8.737 0.000 -0.934) 8.787 3.516 ( 1.498 -0.000 1.530) 2.141 3.590 ( -0.690 -0.000 1.777) 1.907 3.673 ( -1.071 -0.000 0.691) 1.274 3.771 ( 1.766 0.000 -0.213) 1.779 3.847 ( -1.091 0.000 -0.940) 1.440 5.162 ( 6.131 0.000 -0.203) 6.134 5.217 ( 5.135 0.000 0.476) 5.157 5.428 ( -9.542 -0.000 -0.373) 9.550 5.439 ( -8.688 -0.000 -0.230) 8.691 5.558 ( -3.202 0.000 -1.120) 3.392 5.775 ( -5.879 -0.000 1.433) 6.051 6.279 ( 10.903 0.000 -0.450) 10.913 6.315 ( 11.005 0.000 0.076) 11.006 7.460 ( -1.810 -0.000 -0.171) 1.818 7.485 ( -1.971 -0.000 0.103) 1.973 7.567 ( -0.998 -0.000 -0.119) 1.005 7.588 ( -0.935 -0.000 0.102) 0.941 8.291 ( 6.683 0.000 -0.087) 6.683 8.304 ( 6.352 0.000 0.056) 6.353 9.048 ( -4.988 -0.000 -0.149) 4.990 9.073 ( -6.525 -0.000 0.145) 6.527 12.235 ( -0.951 -0.000 -0.053) 0.952 12.256 ( -0.198 -0.000 0.183) 0.270 13.984 ( -1.120 0.000 -0.610) 1.276 14.024 ( -1.837 -0.000 -0.288) 1.859 14.355 ( 2.869 0.000 0.390) 2.895 14.408 ( -0.100 -0.000 3.084) 3.086 14.515 ( -0.314 0.000 -3.732) 3.745 14.735 ( -4.498 -0.000 0.718) 4.555 ======================= Grid point 473 (161/171) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -4.968 -0.000 -0.000) 4.968 1.452 ( 2.347 0.000 0.000) 2.347 1.614 ( 0.409 0.000 0.000) 0.409 1.776 ( 11.832 0.000 0.000) 11.832 1.921 ( -6.739 -0.000 -0.000) 6.739 2.157 ( -8.880 -0.000 -0.000) 8.880 2.312 ( -0.787 -0.000 -0.000) 0.787 2.467 ( -6.545 -0.000 -0.000) 6.545 2.485 ( -18.557 -0.000 -0.000) 18.557 2.507 ( -32.703 -0.000 -0.000) 32.703 2.648 ( 1.253 0.000 0.000) 1.253 2.720 ( -14.206 -0.000 -0.000) 14.206 2.802 ( 4.210 0.000 0.000) 4.210 2.969 ( -1.235 -0.000 -0.000) 1.235 3.022 ( -6.839 -0.000 -0.000) 6.839 3.046 ( 11.016 0.000 0.000) 11.016 3.120 ( 13.382 0.000 0.000) 13.382 3.241 ( -9.352 -0.000 -0.000) 9.352 3.320 ( 9.818 0.000 0.000) 9.818 3.523 ( 1.913 0.000 0.000) 1.913 3.599 ( -0.126 -0.000 -0.000) 0.126 3.674 ( -1.880 -0.000 -0.000) 1.880 3.771 ( 1.914 0.000 0.000) 1.914 3.843 ( -1.523 -0.000 -0.000) 1.523 5.161 ( 6.213 0.000 0.000) 6.213 5.219 ( 5.177 0.000 0.000) 5.177 5.426 ( -9.598 -0.000 -0.000) 9.598 5.438 ( -8.734 -0.000 -0.000) 8.734 5.553 ( -3.146 -0.000 -0.000) 3.146 5.781 ( -5.981 -0.000 -0.000) 5.981 6.277 ( 10.952 0.000 0.000) 10.952 6.316 ( 11.030 0.000 0.000) 11.030 7.459 ( -1.799 -0.000 -0.000) 1.799 7.485 ( -1.963 -0.000 -0.000) 1.963 7.567 ( -1.014 -0.000 -0.000) 1.014 7.588 ( -0.943 -0.000 -0.000) 0.943 8.291 ( 6.690 0.000 0.000) 6.690 8.304 ( 6.343 0.000 0.000) 6.343 9.048 ( -4.932 -0.000 -0.000) 4.932 9.074 ( -6.549 -0.000 -0.000) 6.549 12.235 ( -0.972 -0.000 -0.000) 0.972 12.257 ( -0.182 -0.000 -0.000) 0.182 13.981 ( -1.086 -0.000 -0.000) 1.086 14.022 ( -1.835 -0.000 -0.000) 1.835 14.356 ( 2.861 0.000 0.000) 2.861 14.425 ( -0.817 -0.000 -0.000) 0.817 14.494 ( 0.395 0.000 0.000) 0.395 14.738 ( -4.560 -0.000 -0.000) 4.560 ======================= Grid point 484 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 6.628 6.290) 9.138 1.314 ( 0.000 -0.356 -7.280) 7.289 1.409 ( 0.000 10.218 3.810) 10.906 1.477 ( 0.000 7.496 -3.448) 8.251 1.860 ( 0.000 5.065 6.383) 8.149 1.908 ( 0.000 6.130 2.220) 6.520 1.960 ( 0.000 9.760 1.339) 9.851 1.994 ( 0.000 4.700 -2.660) 5.400 2.299 ( 0.000 -5.024 -1.303) 5.190 2.338 ( 0.000 -5.922 -4.815) 7.633 2.704 ( -0.000 -2.142 3.177) 3.831 2.722 ( -0.000 -3.703 4.270) 5.652 2.779 ( -0.000 0.542 -3.808) 3.847 2.831 ( 0.000 -1.794 -5.441) 5.729 2.995 ( -0.000 1.542 1.691) 2.288 3.011 ( -0.000 0.187 -0.382) 0.426 3.357 ( 0.000 -0.742 0.761) 1.063 3.373 ( 0.000 -1.613 -0.848) 1.822 3.562 ( -0.000 0.525 0.725) 0.895 3.572 ( -0.000 -0.299 -0.251) 0.391 3.683 ( -0.000 -0.493 5.789) 5.810 3.703 ( -0.000 -0.273 5.692) 5.699 3.824 ( -0.000 -1.564 -2.895) 3.291 3.886 ( 0.000 -3.854 -7.446) 8.384 5.202 ( 0.000 -1.971 -0.147) 1.976 5.203 ( 0.000 -2.049 -0.248) 2.064 5.304 ( -0.000 -0.151 0.480) 0.503 5.307 ( -0.000 -0.314 0.155) 0.350 5.551 ( 0.000 0.957 1.146) 1.493 5.575 ( 0.000 -0.534 -1.372) 1.472 6.489 ( -0.000 0.212 0.311) 0.376 6.494 ( -0.000 -0.147 -0.195) 0.244 7.426 ( -0.000 0.021 0.171) 0.172 7.429 ( -0.000 -0.157 -0.139) 0.209 7.555 ( -0.000 0.145 0.139) 0.201 7.559 ( -0.000 -0.075 -0.252) 0.263 8.497 ( -0.000 0.115 0.012) 0.116 8.497 ( -0.000 0.083 -0.044) 0.094 8.886 ( -0.000 0.401 0.199) 0.448 8.887 ( -0.000 0.259 0.115) 0.283 12.232 ( 0.000 -0.088 0.412) 0.422 12.239 ( -0.000 -0.537 -0.383) 0.659 13.986 ( 0.000 -1.441 -0.158) 1.450 13.989 ( 0.000 -1.653 -0.513) 1.731 14.446 ( 0.000 2.255 0.535) 2.317 14.457 ( -0.000 2.245 -0.605) 2.325 14.492 ( 0.000 0.187 0.317) 0.368 14.499 ( 0.000 0.396 -0.317) 0.507 ======================= Grid point 485 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -2.558 1.643 0.061) 3.041 1.372 ( -6.486 0.968 -0.850) 6.613 1.655 ( -8.470 11.071 1.367) 14.007 1.797 ( -13.028 -0.204 2.651) 13.297 1.818 ( -6.796 2.068 -1.622) 7.286 1.964 ( 3.946 6.689 0.366) 7.775 2.051 ( -13.969 0.364 1.059) 14.014 2.091 ( -7.501 -2.289 0.031) 7.843 2.303 ( -1.211 -0.809 -0.890) 1.707 2.329 ( -7.593 -3.890 -2.360) 8.852 2.660 ( 2.062 -0.785 3.948) 4.523 2.703 ( 2.271 0.571 -4.690) 5.242 2.795 ( -3.464 -1.734 2.751) 4.752 2.887 ( -5.983 0.216 -2.609) 6.531 2.975 ( 0.777 0.116 0.801) 1.122 3.096 ( -5.640 1.117 1.112) 5.856 3.244 ( 8.588 -0.600 -0.812) 8.647 3.330 ( 7.047 -0.864 -0.739) 7.139 3.470 ( 5.706 -0.004 -0.241) 5.711 3.575 ( 2.647 -0.015 1.278) 2.939 3.631 ( 4.499 0.558 2.456) 5.156 3.718 ( 3.396 -1.484 2.205) 4.312 3.780 ( -0.144 -0.089 -2.642) 2.648 3.840 ( -0.292 -1.503 -1.965) 2.491 5.256 ( 1.916 0.230 0.334) 1.959 5.262 ( -6.603 -1.045 -0.407) 6.697 5.278 ( -5.351 -1.188 0.669) 5.522 5.293 ( 1.117 -0.120 -0.616) 1.281 5.523 ( 0.147 0.058 -0.376) 0.408 5.663 ( -6.138 0.075 0.398) 6.151 6.430 ( 5.590 0.020 -0.115) 5.592 6.461 ( 4.523 -0.154 0.070) 4.526 7.432 ( -0.965 0.020 -0.045) 0.966 7.449 ( -1.735 -0.080 0.039) 1.738 7.555 ( -0.255 0.043 -0.056) 0.264 7.570 ( -0.903 -0.016 0.013) 0.903 8.420 ( 6.553 0.055 -0.033) 6.553 8.429 ( 6.378 0.072 0.016) 6.379 8.951 ( -5.082 0.180 0.056) 5.086 8.952 ( -5.860 0.125 0.030) 5.862 12.225 ( -0.020 -0.167 -0.030) 0.170 12.249 ( -0.692 -0.086 0.070) 0.701 13.974 ( -0.286 -1.123 -0.227) 1.181 13.996 ( -1.366 -0.807 -0.159) 1.594 14.408 ( 3.600 1.603 0.233) 3.948 14.430 ( 1.447 -0.237 0.762) 1.652 14.489 ( -0.647 1.867 -1.073) 2.249 14.628 ( -7.122 -0.821 0.143) 7.171 ======================= Grid point 496 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.000 3.022 -6.856) 7.492 1.251 ( 0.000 3.022 6.856) 7.492 1.444 ( -0.000 9.122 -3.624) 9.815 1.444 ( 0.000 9.122 3.624) 9.815 1.908 ( -0.000 5.813 -3.109) 6.592 1.908 ( 0.000 5.813 3.109) 6.592 1.969 ( 0.000 6.599 -1.276) 6.721 1.969 ( 0.000 6.599 1.276) 6.721 2.305 ( -0.000 -5.420 -2.417) 5.934 2.305 ( 0.000 -5.420 2.417) 5.934 2.732 ( -0.000 -2.410 -2.808) 3.701 2.732 ( 0.000 -2.410 2.808) 3.701 2.781 ( -0.000 -1.297 -4.901) 5.069 2.781 ( 0.000 -1.297 4.901) 5.069 3.006 ( 0.000 1.294 -0.522) 1.395 3.006 ( 0.000 1.294 0.522) 1.395 3.365 ( 0.000 -1.292 -0.597) 1.423 3.365 ( 0.000 -1.292 0.597) 1.423 3.568 ( 0.000 0.065 -0.273) 0.281 3.568 ( 0.000 0.065 0.273) 0.281 3.723 ( 0.000 0.413 -1.797) 1.844 3.723 ( 0.000 0.413 1.797) 1.844 3.827 ( -0.000 -3.556 -4.408) 5.664 3.827 ( 0.000 -3.556 4.408) 5.664 5.202 ( 0.000 -2.006 -0.011) 2.006 5.202 ( 0.000 -2.006 0.011) 2.006 5.307 ( 0.000 -0.211 -0.105) 0.236 5.307 ( 0.000 -0.211 0.105) 0.236 5.563 ( 0.000 0.225 -0.968) 0.993 5.563 ( 0.000 0.225 0.968) 0.993 6.492 ( 0.000 0.013 -0.175) 0.175 6.492 ( 0.000 0.013 0.175) 0.175 7.427 ( 0.000 -0.077 -0.108) 0.133 7.427 ( 0.000 -0.077 0.108) 0.133 7.557 ( 0.000 0.040 -0.160) 0.165 7.557 ( 0.000 0.040 0.160) 0.165 8.497 ( 0.000 0.098 -0.007) 0.099 8.497 ( 0.000 0.098 0.007) 0.099 8.887 ( 0.000 0.311 -0.035) 0.313 8.887 ( 0.000 0.311 0.035) 0.313 12.235 ( -0.000 -0.312 -0.355) 0.473 12.235 ( 0.000 -0.312 0.355) 0.473 13.986 ( 0.000 -1.528 -0.115) 1.533 13.986 ( 0.000 -1.528 0.115) 1.533 14.452 ( -0.000 2.155 -0.583) 2.232 14.452 ( 0.000 2.155 0.583) 2.232 14.496 ( 0.000 0.396 -0.070) 0.402 14.496 ( 0.000 0.396 0.070) 0.402 ======================= Grid point 538 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -6.690 -6.751 -0.000) 9.504 1.465 ( -6.690 6.751 0.000) 9.504 1.583 ( 8.015 -1.256 0.000) 8.113 1.583 ( 8.015 1.256 0.000) 8.113 2.004 ( -7.602 -0.479 0.000) 7.618 2.004 ( -7.602 0.479 0.000) 7.618 2.463 ( 1.907 -0.156 0.000) 1.913 2.463 ( 1.907 0.156 0.000) 1.913 2.491 ( -24.686 -0.187 -0.000) 24.687 2.491 ( -24.686 0.187 -0.000) 24.687 2.634 ( -0.029 -0.065 0.000) 0.071 2.634 ( -0.029 0.065 0.000) 0.071 2.889 ( -4.958 -0.775 -0.000) 5.018 2.889 ( -4.958 0.775 -0.000) 5.018 3.000 ( -0.974 -0.058 0.000) 0.976 3.000 ( -0.974 0.058 0.000) 0.976 3.334 ( 2.880 -1.121 0.000) 3.090 3.334 ( 2.880 1.121 0.000) 3.090 3.401 ( 2.085 -0.008 0.000) 2.085 3.401 ( 2.085 0.008 0.000) 2.085 3.524 ( -0.142 -2.156 0.000) 2.161 3.524 ( -0.142 2.156 0.000) 2.161 3.849 ( 1.795 -0.047 0.000) 1.796 3.849 ( 1.795 0.047 0.000) 1.796 5.184 ( 5.116 -0.582 0.000) 5.149 5.184 ( 5.116 0.582 0.000) 5.149 5.446 ( -8.636 -0.776 -0.000) 8.671 5.446 ( -8.636 0.776 -0.000) 8.671 5.660 ( -4.431 -0.401 0.000) 4.449 5.660 ( -4.431 0.401 0.000) 4.449 6.305 ( 10.665 -0.008 0.000) 10.665 6.305 ( 10.665 0.008 0.000) 10.665 7.474 ( -1.976 -0.138 0.000) 1.981 7.474 ( -1.976 0.138 0.000) 1.981 7.578 ( -0.857 -0.285 0.000) 0.904 7.578 ( -0.857 0.285 0.000) 0.904 8.298 ( 6.526 -0.081 0.000) 6.527 8.298 ( 6.526 0.081 0.000) 6.527 9.061 ( -5.908 -0.021 -0.000) 5.908 9.061 ( -5.908 0.021 -0.000) 5.908 12.243 ( -0.553 -0.265 0.000) 0.613 12.243 ( -0.553 0.265 0.000) 0.613 14.024 ( -1.722 -0.087 0.000) 1.724 14.024 ( -1.722 0.087 0.000) 1.724 14.335 ( 2.506 -1.647 -0.000) 2.999 14.335 ( 2.506 1.647 0.000) 2.999 14.660 ( -3.083 -3.484 0.000) 4.652 14.660 ( -3.083 3.484 0.000) 4.652 ======================= Grid point 550 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 -13.962 -0.000) 13.962 1.291 ( 0.000 13.962 0.000) 13.962 1.480 ( -0.000 -7.031 -0.000) 7.031 1.480 ( 0.000 7.031 0.000) 7.031 1.896 ( -0.000 -5.281 -0.000) 5.281 1.896 ( 0.000 5.281 0.000) 5.281 1.963 ( -0.000 -0.745 -0.000) 0.745 1.963 ( 0.000 0.745 0.000) 0.745 2.409 ( -0.000 -1.295 -0.000) 1.295 2.409 ( 0.000 1.295 0.000) 1.295 2.619 ( -0.000 -1.456 -0.000) 1.456 2.619 ( 0.000 1.456 0.000) 1.456 2.901 ( -0.000 -1.593 -0.000) 1.593 2.901 ( 0.000 1.593 0.000) 1.593 2.979 ( -0.000 -5.069 -0.000) 5.069 2.979 ( 0.000 5.069 0.000) 5.069 3.352 ( -0.000 -0.861 -0.000) 0.861 3.352 ( 0.000 0.861 0.000) 0.861 3.509 ( -0.000 -1.111 -0.000) 1.111 3.509 ( 0.000 1.111 0.000) 1.111 3.586 ( -0.000 -0.712 -0.000) 0.712 3.586 ( 0.000 0.712 0.000) 0.712 3.965 ( -0.000 -5.006 -0.000) 5.006 3.965 ( 0.000 5.006 0.000) 5.006 5.197 ( -0.000 -0.142 -0.000) 0.142 5.197 ( 0.000 0.142 0.000) 0.142 5.287 ( -0.000 -0.272 -0.000) 0.272 5.287 ( 0.000 0.272 0.000) 0.272 5.569 ( -0.000 -2.209 -0.000) 2.209 5.569 ( 0.000 2.209 0.000) 2.209 6.491 ( -0.000 -0.367 -0.000) 0.367 6.491 ( 0.000 0.367 0.000) 0.367 7.427 ( -0.000 -0.300 -0.000) 0.300 7.427 ( 0.000 0.300 0.000) 0.300 7.559 ( -0.000 -0.389 -0.000) 0.389 7.559 ( 0.000 0.389 0.000) 0.389 8.498 ( -0.000 -0.055 -0.000) 0.055 8.498 ( 0.000 0.055 0.000) 0.055 8.884 ( -0.000 -0.061 -0.000) 0.061 8.884 ( 0.000 0.061 0.000) 0.061 12.232 ( -0.000 -0.779 -0.000) 0.779 12.232 ( 0.000 0.779 0.000) 0.779 13.987 ( -0.000 -0.406 -0.000) 0.406 13.987 ( 0.000 0.406 0.000) 0.406 14.475 ( -0.000 -1.813 -0.000) 1.813 14.475 ( 0.000 1.813 0.000) 1.813 14.495 ( -0.000 -1.283 -0.000) 1.283 14.495 ( 0.000 1.283 0.000) 1.283 ======================= Grid point 562 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.000 -13.205 -0.246) 13.207 1.290 ( -0.000 13.205 -0.246) 13.207 1.484 ( 0.000 -6.798 0.901) 6.858 1.484 ( 0.000 6.798 0.901) 6.858 1.887 ( -0.000 -4.697 -1.238) 4.858 1.887 ( -0.000 4.697 -1.238) 4.858 1.983 ( 0.000 -1.275 3.561) 3.782 1.983 ( 0.000 1.275 3.561) 3.782 2.394 ( -0.000 -1.688 -3.346) 3.748 2.394 ( -0.000 1.688 -3.346) 3.748 2.623 ( 0.000 -0.975 0.947) 1.359 2.623 ( 0.000 0.975 0.947) 1.359 2.900 ( -0.000 -0.754 -0.524) 0.918 2.900 ( -0.000 0.754 -0.524) 0.918 2.974 ( -0.000 -4.440 -0.565) 4.476 2.974 ( -0.000 4.440 -0.565) 4.476 3.355 ( 0.000 -0.764 0.465) 0.895 3.355 ( 0.000 0.764 0.465) 0.895 3.519 ( 0.000 -1.001 2.364) 2.567 3.519 ( 0.000 1.001 2.364) 2.567 3.588 ( 0.000 -0.283 0.344) 0.446 3.588 ( 0.000 0.283 0.344) 0.446 3.956 ( -0.000 -4.797 -2.102) 5.238 3.956 ( -0.000 4.797 -2.102) 5.238 5.195 ( -0.000 -0.124 -0.281) 0.307 5.195 ( -0.000 0.124 -0.281) 0.307 5.289 ( 0.000 -0.189 0.436) 0.475 5.289 ( 0.000 0.189 0.436) 0.475 5.568 ( 0.000 -2.048 -0.092) 2.050 5.568 ( 0.000 2.048 -0.092) 2.050 6.491 ( 0.000 -0.332 0.025) 0.333 6.491 ( 0.000 0.333 0.025) 0.333 7.427 ( 0.000 -0.276 0.001) 0.276 7.427 ( 0.000 0.276 0.001) 0.276 7.559 ( -0.000 -0.362 -0.048) 0.365 7.559 ( -0.000 0.362 -0.048) 0.365 8.498 ( 0.000 -0.035 -0.017) 0.039 8.498 ( 0.000 0.035 -0.017) 0.039 8.884 ( 0.000 -0.035 0.122) 0.127 8.884 ( 0.000 0.035 0.122) 0.127 12.232 ( 0.000 -0.729 0.013) 0.729 12.232 ( 0.000 0.729 0.013) 0.729 13.986 ( -0.000 -0.359 -0.268) 0.448 13.986 ( -0.000 0.359 -0.268) 0.448 14.474 ( -0.000 -1.729 -0.151) 1.736 14.474 ( -0.000 1.729 -0.151) 1.736 14.495 ( 0.000 -1.044 0.098) 1.048 14.495 ( 0.000 1.044 0.098) 1.048 ======================= Grid point 574 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.000 -11.042 -0.532) 11.055 1.286 ( -0.000 11.042 -0.532) 11.055 1.495 ( 0.000 -6.024 1.399) 6.184 1.495 ( 0.000 6.024 1.399) 6.184 1.883 ( 0.000 -4.270 0.653) 4.320 1.883 ( 0.000 4.270 0.653) 4.320 2.016 ( 0.000 -1.378 3.465) 3.729 2.016 ( 0.000 1.378 3.465) 3.729 2.354 ( -0.000 -2.406 -5.414) 5.924 2.354 ( -0.000 2.406 -5.414) 5.924 2.636 ( 0.000 -0.197 2.031) 2.041 2.636 ( 0.000 0.197 2.031) 2.041 2.883 ( -0.000 -0.730 -3.335) 3.414 2.883 ( -0.000 0.730 -3.335) 3.414 2.977 ( 0.000 -2.126 1.338) 2.512 2.977 ( 0.000 2.126 1.338) 2.512 3.358 ( 0.000 -0.681 0.203) 0.711 3.358 ( 0.000 0.681 0.203) 0.711 3.546 ( 0.000 -0.421 3.077) 3.106 3.546 ( 0.000 0.421 3.077) 3.106 3.596 ( 0.000 -0.003 2.014) 2.014 3.596 ( 0.000 0.003 2.014) 2.014 3.928 ( -0.000 -4.213 -4.009) 5.815 3.928 ( -0.000 4.213 -4.009) 5.815 5.192 ( -0.000 -0.060 -0.398) 0.403 5.192 ( -0.000 0.060 -0.398) 0.403 5.294 ( 0.000 -0.122 0.653) 0.664 5.294 ( 0.000 0.122 0.653) 0.664 5.567 ( 0.000 -1.591 -0.146) 1.598 5.567 ( 0.000 1.591 -0.146) 1.598 6.491 ( 0.000 -0.248 0.039) 0.251 6.491 ( 0.000 0.248 0.039) 0.251 7.427 ( 0.000 -0.208 0.001) 0.208 7.427 ( 0.000 0.208 0.001) 0.208 7.558 ( -0.000 -0.286 -0.078) 0.297 7.558 ( -0.000 0.286 -0.078) 0.297 8.498 ( 0.000 -0.016 -0.028) 0.032 8.498 ( 0.000 0.016 -0.028) 0.032 8.886 ( 0.000 -0.004 0.197) 0.197 8.886 ( 0.000 0.004 0.197) 0.197 12.233 ( 0.000 -0.586 0.021) 0.586 12.233 ( 0.000 0.586 0.021) 0.586 13.983 ( -0.000 -0.241 -0.452) 0.512 13.983 ( -0.000 0.241 -0.452) 0.512 14.473 ( 0.000 -1.444 -0.235) 1.463 14.473 ( 0.000 1.444 -0.235) 1.463 14.496 ( 0.000 -0.621 0.165) 0.643 14.496 ( 0.000 0.621 0.165) 0.643 ======================= Grid point 587 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.000 -7.786 -0.677) 7.815 1.281 ( -0.000 7.786 -0.677) 7.815 1.507 ( 0.000 -4.547 1.300) 4.729 1.507 ( 0.000 4.547 1.300) 4.729 1.901 ( 0.000 -3.840 3.203) 5.001 1.901 ( 0.000 3.840 3.203) 5.001 2.038 ( 0.000 -0.651 1.205) 1.369 2.038 ( 0.000 0.651 1.205) 1.369 2.304 ( -0.000 -2.624 -5.293) 5.908 2.304 ( -0.000 2.624 -5.293) 5.908 2.659 ( 0.000 -0.038 3.095) 3.095 2.659 ( 0.000 0.038 3.095) 3.095 2.845 ( -0.000 -1.613 -4.956) 5.212 2.845 ( -0.000 1.613 -4.956) 5.212 2.994 ( 0.000 -0.555 2.135) 2.206 2.994 ( 0.000 0.555 2.135) 2.206 3.358 ( 0.000 -0.481 -0.197) 0.519 3.358 ( 0.000 0.481 -0.197) 0.519 3.564 ( 0.000 -0.115 0.897) 0.904 3.564 ( 0.000 0.115 0.897) 0.904 3.631 ( 0.000 -0.316 5.674) 5.683 3.631 ( 0.000 0.316 5.674) 5.683 3.885 ( -0.000 -3.360 -5.513) 6.456 3.885 ( -0.000 3.360 -5.513) 6.456 5.189 ( -0.000 -0.010 -0.344) 0.344 5.189 ( -0.000 0.010 -0.344) 0.344 5.300 ( 0.000 -0.075 0.604) 0.608 5.300 ( 0.000 0.075 0.604) 0.608 5.566 ( 0.000 -0.928 -0.143) 0.939 5.566 ( 0.000 0.928 -0.143) 0.939 6.492 ( 0.000 -0.141 0.037) 0.145 6.492 ( 0.000 0.141 0.037) 0.145 7.427 ( 0.000 -0.116 0.001) 0.116 7.427 ( 0.000 0.116 0.001) 0.116 7.558 ( 0.000 -0.174 -0.078) 0.191 7.558 ( 0.000 0.174 -0.078) 0.191 8.498 ( 0.000 -0.006 -0.028) 0.029 8.498 ( 0.000 0.006 -0.028) 0.029 8.888 ( 0.000 -0.000 0.195) 0.195 8.888 ( 0.000 0.000 0.195) 0.195 12.233 ( 0.000 -0.367 0.022) 0.368 12.233 ( 0.000 0.367 0.022) 0.368 13.978 ( -0.000 -0.111 -0.473) 0.486 13.978 ( -0.000 0.111 -0.473) 0.486 14.471 ( 0.000 -0.928 -0.224) 0.954 14.471 ( 0.000 0.928 -0.224) 0.954 14.498 ( 0.000 -0.281 0.176) 0.331 14.498 ( 0.000 0.281 0.176) 0.331 ======================= Grid point 600 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 -3.803 -0.482) 3.834 1.275 ( 0.000 3.803 -0.482) 3.834 1.517 ( 0.000 -2.313 0.745) 2.430 1.517 ( 0.000 2.313 0.745) 2.430 1.938 ( 0.000 -2.967 4.790) 5.635 1.938 ( 0.000 2.967 4.790) 5.635 2.033 ( 0.000 -0.000 -2.243) 2.243 2.033 ( 0.000 0.000 -2.243) 2.243 2.266 ( -0.000 -1.479 -2.908) 3.263 2.266 ( -0.000 1.479 -2.908) 3.263 2.690 ( 0.000 -0.103 3.598) 3.600 2.690 ( 0.000 0.103 3.598) 3.600 2.800 ( -0.000 -1.156 -4.741) 4.880 2.800 ( -0.000 1.156 -4.741) 4.880 3.011 ( 0.000 -0.104 1.414) 1.418 3.011 ( 0.000 0.104 1.414) 1.418 3.356 ( 0.000 -0.174 -0.256) 0.309 3.356 ( 0.000 0.174 -0.256) 0.309 3.568 ( 0.000 -0.046 0.150) 0.157 3.568 ( 0.000 0.046 0.150) 0.157 3.688 ( 0.000 -0.718 6.624) 6.663 3.688 ( 0.000 0.718 6.624) 6.663 3.832 ( -0.000 -2.285 -6.163) 6.573 3.832 ( -0.000 2.285 -6.163) 6.573 5.186 ( 0.000 -0.001 -0.191) 0.191 5.186 ( 0.000 0.001 -0.191) 0.191 5.304 ( 0.000 -0.026 0.354) 0.355 5.304 ( 0.000 0.026 0.354) 0.355 5.565 ( 0.000 -0.282 -0.087) 0.295 5.565 ( 0.000 0.282 -0.087) 0.295 6.492 ( 0.000 -0.042 0.022) 0.047 6.492 ( 0.000 0.042 0.022) 0.047 7.427 ( 0.000 -0.034 0.001) 0.034 7.427 ( 0.000 0.034 0.001) 0.034 7.557 ( 0.000 -0.056 -0.048) 0.074 7.557 ( 0.000 0.056 -0.048) 0.074 8.498 ( 0.000 -0.002 -0.017) 0.017 8.498 ( 0.000 0.002 -0.017) 0.017 8.889 ( 0.000 -0.001 0.120) 0.120 8.889 ( 0.000 0.001 0.120) 0.120 12.233 ( 0.000 -0.125 0.014) 0.126 12.233 ( 0.000 0.125 0.014) 0.126 13.975 ( 0.000 -0.026 -0.303) 0.304 13.975 ( 0.000 0.026 -0.303) 0.304 14.469 ( 0.000 -0.311 -0.133) 0.339 14.469 ( 0.000 0.311 -0.133) 0.339 14.499 ( 0.000 -0.071 0.114) 0.134 14.499 ( 0.000 0.071 0.114) 0.134 ======================= Grid point 602 (171/171) ======================= q-point: ( 0.00 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 0.000 0.000) 0.000 1.273 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 -0.000) 0.000 1.520 ( 0.000 0.000 -0.000) 0.000 1.970 ( 0.000 0.000 -0.000) 0.000 1.970 ( 0.000 0.000 -0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 -0.000) 0.000 2.773 ( 0.000 0.000 -0.000) 0.000 3.017 ( 0.000 0.000 -0.000) 0.000 3.017 ( 0.000 0.000 -0.000) 0.000 3.355 ( 0.000 0.000 -0.000) 0.000 3.355 ( 0.000 0.000 -0.000) 0.000 3.568 ( 0.000 0.000 -0.000) 0.000 3.568 ( 0.000 0.000 -0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 -0.000) 0.000 3.792 ( 0.000 0.000 -0.000) 0.000 5.185 ( 0.000 0.000 -0.000) 0.000 5.185 ( 0.000 0.000 -0.000) 0.000 5.306 ( 0.000 0.000 -0.000) 0.000 5.306 ( 0.000 0.000 -0.000) 0.000 5.564 ( 0.000 0.000 -0.000) 0.000 5.564 ( 0.000 0.000 -0.000) 0.000 6.492 ( 0.000 0.000 -0.000) 0.000 6.492 ( 0.000 0.000 -0.000) 0.000 7.427 ( 0.000 0.000 -0.000) 0.000 7.427 ( 0.000 0.000 -0.000) 0.000 7.557 ( 0.000 0.000 -0.000) 0.000 7.557 ( 0.000 0.000 -0.000) 0.000 8.498 ( 0.000 0.000 -0.000) 0.000 8.498 ( 0.000 0.000 -0.000) 0.000 8.890 ( 0.000 0.000 -0.000) 0.000 8.890 ( 0.000 0.000 -0.000) 0.000 12.233 ( 0.000 0.000 -0.000) 0.000 12.233 ( 0.000 0.000 -0.000) 0.000 13.973 ( 0.000 0.000 -0.000) 0.000 13.973 ( 0.000 0.000 -0.000) 0.000 14.468 ( 0.000 0.000 -0.000) 0.000 14.468 ( 0.000 0.000 -0.000) 0.000 14.500 ( 0.000 0.000 -0.000) 0.000 14.500 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/48000 10.0 140.304 194.750 149.235 -0.000 0.000 0.000 3/48000 20.0 37.647 28.823 23.010 -0.000 0.000 0.000 3/48000 30.0 18.929 10.813 8.505 -0.000 0.000 0.000 3/48000 40.0 12.963 6.159 4.795 -0.000 0.000 0.000 3/48000 50.0 10.101 4.250 3.307 -0.000 0.000 0.000 3/48000 60.0 8.398 3.244 2.531 -0.000 0.000 0.000 3/48000 70.0 7.244 2.628 2.057 -0.000 0.000 0.000 3/48000 80.0 6.395 2.213 1.738 -0.000 0.000 0.000 3/48000 90.0 5.737 1.915 1.507 -0.000 0.000 0.000 3/48000 100.0 5.206 1.690 1.332 -0.000 0.000 0.000 3/48000 110.0 4.768 1.515 1.195 -0.000 0.000 0.000 3/48000 120.0 4.399 1.374 1.085 -0.000 0.000 0.000 3/48000 130.0 4.084 1.258 0.994 -0.000 0.000 0.000 3/48000 140.0 3.810 1.162 0.918 -0.000 0.000 0.000 3/48000 150.0 3.572 1.080 0.854 -0.000 0.000 0.000 3/48000 160.0 3.361 1.009 0.798 -0.000 0.000 0.000 3/48000 170.0 3.174 0.948 0.749 -0.000 0.000 0.000 3/48000 180.0 3.007 0.894 0.706 -0.000 0.000 0.000 3/48000 190.0 2.856 0.847 0.668 -0.000 0.000 0.000 3/48000 200.0 2.720 0.804 0.634 -0.000 0.000 0.000 3/48000 210.0 2.596 0.766 0.604 -0.000 0.000 0.000 3/48000 220.0 2.483 0.731 0.576 -0.000 0.000 0.000 3/48000 230.0 2.379 0.700 0.551 -0.000 0.000 0.000 3/48000 240.0 2.284 0.671 0.528 -0.000 0.000 0.000 3/48000 250.0 2.196 0.645 0.507 -0.000 0.000 0.000 3/48000 260.0 2.114 0.621 0.488 -0.000 0.000 0.000 3/48000 270.0 2.039 0.598 0.470 -0.000 0.000 0.000 3/48000 280.0 1.968 0.577 0.453 -0.000 0.000 0.000 3/48000 290.0 1.903 0.558 0.438 -0.000 0.000 0.000 3/48000 300.0 1.841 0.540 0.424 -0.000 0.000 0.000 3/48000 310.0 1.783 0.523 0.410 -0.000 0.000 0.000 3/48000 320.0 1.729 0.507 0.397 -0.000 0.000 0.000 3/48000 330.0 1.678 0.492 0.386 -0.000 0.000 0.000 3/48000 340.0 1.630 0.478 0.374 -0.000 0.000 0.000 3/48000 350.0 1.585 0.465 0.364 -0.000 0.000 0.000 3/48000 360.0 1.542 0.453 0.354 -0.000 0.000 0.000 3/48000 370.0 1.501 0.441 0.345 -0.000 0.000 0.000 3/48000 380.0 1.463 0.430 0.336 -0.000 0.000 0.000 3/48000 390.0 1.426 0.419 0.327 -0.000 0.000 0.000 3/48000 400.0 1.391 0.409 0.319 -0.000 0.000 0.000 3/48000 410.0 1.358 0.399 0.311 -0.000 0.000 0.000 3/48000 420.0 1.326 0.390 0.304 -0.000 0.000 0.000 3/48000 430.0 1.296 0.381 0.297 -0.000 0.000 0.000 3/48000 440.0 1.267 0.373 0.291 -0.000 0.000 0.000 3/48000 450.0 1.239 0.365 0.284 -0.000 0.000 0.000 3/48000 460.0 1.213 0.357 0.278 -0.000 0.000 0.000 3/48000 470.0 1.188 0.350 0.272 -0.000 0.000 0.000 3/48000 480.0 1.163 0.343 0.267 -0.000 0.000 0.000 3/48000 490.0 1.140 0.336 0.261 -0.000 0.000 0.000 3/48000 500.0 1.117 0.330 0.256 -0.000 0.000 0.000 3/48000 510.0 1.096 0.323 0.251 -0.000 0.000 0.000 3/48000 520.0 1.075 0.317 0.247 -0.000 0.000 0.000 3/48000 530.0 1.055 0.311 0.242 -0.000 0.000 0.000 3/48000 540.0 1.036 0.306 0.238 -0.000 0.000 0.000 3/48000 550.0 1.017 0.300 0.233 -0.000 0.000 0.000 3/48000 560.0 0.999 0.295 0.229 -0.000 0.000 0.000 3/48000 570.0 0.982 0.290 0.225 -0.000 0.000 0.000 3/48000 580.0 0.965 0.285 0.221 -0.000 0.000 0.000 3/48000 590.0 0.949 0.281 0.218 -0.000 0.000 0.000 3/48000 600.0 0.934 0.276 0.214 -0.000 0.000 0.000 3/48000 610.0 0.919 0.272 0.211 -0.000 0.000 0.000 3/48000 620.0 0.904 0.267 0.207 -0.000 0.000 0.000 3/48000 630.0 0.890 0.263 0.204 -0.000 0.000 0.000 3/48000 640.0 0.876 0.259 0.201 -0.000 0.000 0.000 3/48000 650.0 0.863 0.255 0.198 -0.000 0.000 0.000 3/48000 660.0 0.850 0.252 0.195 -0.000 0.000 0.000 3/48000 670.0 0.837 0.248 0.192 -0.000 0.000 0.000 3/48000 680.0 0.825 0.244 0.189 -0.000 0.000 0.000 3/48000 690.0 0.813 0.241 0.187 -0.000 0.000 0.000 3/48000 700.0 0.802 0.238 0.184 -0.000 0.000 0.000 3/48000 710.0 0.791 0.234 0.181 -0.000 0.000 0.000 3/48000 720.0 0.780 0.231 0.179 -0.000 0.000 0.000 3/48000 730.0 0.769 0.228 0.177 -0.000 0.000 0.000 3/48000 740.0 0.759 0.225 0.174 -0.000 0.000 0.000 3/48000 750.0 0.749 0.222 0.172 -0.000 0.000 0.000 3/48000 760.0 0.739 0.219 0.170 -0.000 0.000 0.000 3/48000 770.0 0.730 0.217 0.168 -0.000 0.000 0.000 3/48000 780.0 0.720 0.214 0.165 -0.000 0.000 0.000 3/48000 790.0 0.711 0.211 0.163 -0.000 0.000 0.000 3/48000 800.0 0.702 0.209 0.161 -0.000 0.000 0.000 3/48000 810.0 0.694 0.206 0.159 -0.000 0.000 0.000 3/48000 820.0 0.686 0.204 0.157 -0.000 0.000 0.000 3/48000 830.0 0.677 0.201 0.156 -0.000 0.000 0.000 3/48000 840.0 0.669 0.199 0.154 -0.000 0.000 0.000 3/48000 850.0 0.662 0.197 0.152 -0.000 0.000 0.000 3/48000 860.0 0.654 0.194 0.150 -0.000 0.000 0.000 3/48000 870.0 0.646 0.192 0.148 -0.000 0.000 0.000 3/48000 880.0 0.639 0.190 0.147 -0.000 0.000 0.000 3/48000 890.0 0.632 0.188 0.145 -0.000 0.000 0.000 3/48000 900.0 0.625 0.186 0.144 -0.000 0.000 0.000 3/48000 910.0 0.618 0.184 0.142 -0.000 0.000 0.000 3/48000 920.0 0.612 0.182 0.141 -0.000 0.000 0.000 3/48000 930.0 0.605 0.180 0.139 -0.000 0.000 0.000 3/48000 940.0 0.599 0.178 0.138 -0.000 0.000 0.000 3/48000 950.0 0.592 0.176 0.136 -0.000 0.000 0.000 3/48000 960.0 0.586 0.175 0.135 -0.000 0.000 0.000 3/48000 970.0 0.580 0.173 0.133 -0.000 0.000 0.000 3/48000 980.0 0.574 0.171 0.132 -0.000 0.000 0.000 3/48000 990.0 0.569 0.169 0.131 -0.000 0.000 0.000 3/48000 1000.0 0.563 0.168 0.129 -0.000 0.000 0.000 3/48000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:14:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|