----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 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: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.621886360000000 11.947192939999999 b 4.029379940000000 0.000000000000000 11.947192939999999 c 4.029379940000000 5.621886360000000 0.000000000000000 Atomic positions (fractional): *1 Se 0.33936881314799 0.82391804709611 0.16296980026669 78.960 2 Se 0.67374333948921 0.16296980026669 0.82391804709611 78.960 3 Se 0.16296980026669 0.67374333948921 0.33936881314799 78.960 4 Se 0.82391804709611 0.33936881314799 0.67374333948921 78.960 5 Se 0.91063118685201 0.42608195290389 0.08703019973331 78.960 6 Se 0.57625666051079 0.08703019973331 0.42608195290389 78.960 7 Se 0.08703019973331 0.57625666051079 0.91063118685201 78.960 8 Se 0.42608195290389 0.91063118685201 0.57625666051079 78.960 *9 Se 0.99461879946255 0.50538120053745 0.50538120053745 78.960 10 Se 0.50538120053745 0.99461879946255 0.99461879946255 78.960 11 Se 0.25538120053745 0.74461879946255 0.74461879946255 78.960 12 Se 0.74461879946255 0.25538120053745 0.25538120053745 78.960 *13 Er 0.24743772495410 0.24743772495410 0.75256227504590 167.259 14 Er 0.75256227504590 0.75256227504590 0.24743772495410 167.259 15 Er 0.00256227504590 0.00256227504590 0.49743772495410 167.259 16 Er 0.49743772495410 0.49743772495410 0.00256227504590 167.259 *17 Er 0.58391342703894 0.58391342703894 0.41608657296106 167.259 18 Er 0.41608657296106 0.41608657296106 0.58391342703894 167.259 19 Er 0.66608657296106 0.66608657296106 0.83391342703894 167.259 20 Er 0.83391342703894 0.83391342703894 0.66608657296106 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.058759880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.243772719999999 0.000000000000000 c 0.000000000000000 0.000000000000000 23.894385879999998 Atomic positions (fractional): *1 Se 0.49344392368140 0.75116930670734 0.08164343012205 78.960 > 1 2 Se 0.99344392368140 0.24883069329266 0.41835656987795 78.960 > 2 3 Se 0.00655607631860 0.75116930670734 0.41835656987795 78.960 > 3 4 Se 0.50655607631860 0.24883069329266 0.08164343012205 78.960 > 4 5 Se 0.25655607631860 0.99883069329266 0.16835656987795 78.960 > 5 6 Se 0.75655607631860 0.00116930670734 0.33164343012205 78.960 > 6 7 Se 0.24344392368140 0.99883069329266 0.33164343012205 78.960 > 7 8 Se 0.74344392368140 0.00116930670734 0.16835656987795 78.960 > 8 *9 Se 0.50538120053745 0.25000000000000 0.25000000000000 78.960 > 9 10 Se 0.99461879946255 0.25000000000000 0.25000000000000 78.960 > 10 11 Se 0.74461879946255 0.00000000000000 0.00000000000000 78.960 > 11 12 Se 0.25538120053745 0.00000000000000 0.00000000000000 78.960 > 12 13 Se 0.49344392368140 0.25116930670734 0.58164343012205 78.960 > 1 14 Se 0.99344392368140 0.74883069329266 0.91835656987795 78.960 > 2 15 Se 0.00655607631860 0.25116930670734 0.91835656987795 78.960 > 3 16 Se 0.50655607631860 0.74883069329266 0.58164343012205 78.960 > 4 17 Se 0.25655607631860 0.49883069329266 0.66835656987795 78.960 > 5 18 Se 0.75655607631860 0.50116930670734 0.83164343012205 78.960 > 6 19 Se 0.24344392368140 0.49883069329266 0.83164343012205 78.960 > 7 20 Se 0.74344392368140 0.50116930670734 0.66835656987795 78.960 > 8 21 Se 0.50538120053745 0.75000000000000 0.75000000000000 78.960 > 9 22 Se 0.99461879946255 0.75000000000000 0.75000000000000 78.960 > 10 23 Se 0.74461879946255 0.50000000000000 0.50000000000000 78.960 > 11 24 Se 0.25538120053745 0.50000000000000 0.50000000000000 78.960 > 12 25 Se 0.99344392368140 0.75116930670734 0.58164343012205 78.960 > 1 26 Se 0.49344392368140 0.24883069329266 0.91835656987795 78.960 > 2 27 Se 0.50655607631860 0.75116930670734 0.91835656987795 78.960 > 3 28 Se 0.00655607631860 0.24883069329266 0.58164343012205 78.960 > 4 29 Se 0.75655607631860 0.99883069329266 0.66835656987795 78.960 > 5 30 Se 0.25655607631860 0.00116930670734 0.83164343012205 78.960 > 6 31 Se 0.74344392368140 0.99883069329266 0.83164343012205 78.960 > 7 32 Se 0.24344392368140 0.00116930670734 0.66835656987795 78.960 > 8 33 Se 0.00538120053745 0.25000000000000 0.75000000000000 78.960 > 9 34 Se 0.49461879946255 0.25000000000000 0.75000000000000 78.960 > 10 35 Se 0.24461879946255 0.00000000000000 0.50000000000000 78.960 > 11 36 Se 0.75538120053745 0.00000000000000 0.50000000000000 78.960 > 12 37 Se 0.99344392368140 0.25116930670734 0.08164343012205 78.960 > 1 38 Se 0.49344392368140 0.74883069329266 0.41835656987795 78.960 > 2 39 Se 0.50655607631860 0.25116930670734 0.41835656987795 78.960 > 3 40 Se 0.00655607631860 0.74883069329266 0.08164343012205 78.960 > 4 41 Se 0.75655607631860 0.49883069329266 0.16835656987795 78.960 > 5 42 Se 0.25655607631860 0.50116930670734 0.33164343012205 78.960 > 6 43 Se 0.74344392368140 0.49883069329266 0.33164343012205 78.960 > 7 44 Se 0.24344392368140 0.50116930670734 0.16835656987795 78.960 > 8 45 Se 0.00538120053745 0.75000000000000 0.25000000000000 78.960 > 9 46 Se 0.49461879946255 0.75000000000000 0.25000000000000 78.960 > 10 47 Se 0.24461879946255 0.50000000000000 0.00000000000000 78.960 > 11 48 Se 0.75538120053745 0.50000000000000 0.00000000000000 78.960 > 12 *49 Er 0.00000000000000 0.00000000000000 0.24743772495410 167.259 > 13 50 Er 0.50000000000000 0.00000000000000 0.25256227504590 167.259 > 14 51 Er 0.75000000000000 0.75000000000000 0.00256227504590 167.259 > 15 52 Er 0.75000000000000 0.75000000000000 0.49743772495410 167.259 > 16 *53 Er 0.50000000000000 0.00000000000000 0.08391342703894 167.259 > 17 54 Er 0.00000000000000 0.00000000000000 0.41608657296106 167.259 > 18 55 Er 0.75000000000000 0.25000000000000 0.16608657296106 167.259 > 19 56 Er 0.75000000000000 0.25000000000000 0.33391342703894 167.259 > 20 57 Er 0.00000000000000 0.50000000000000 0.74743772495410 167.259 > 13 58 Er 0.50000000000000 0.50000000000000 0.75256227504590 167.259 > 14 59 Er 0.75000000000000 0.25000000000000 0.50256227504590 167.259 > 15 60 Er 0.75000000000000 0.25000000000000 0.99743772495410 167.259 > 16 61 Er 0.50000000000000 0.50000000000000 0.58391342703894 167.259 > 17 62 Er 0.00000000000000 0.50000000000000 0.91608657296106 167.259 > 18 63 Er 0.75000000000000 0.75000000000000 0.66608657296106 167.259 > 19 64 Er 0.75000000000000 0.75000000000000 0.83391342703894 167.259 > 20 65 Er 0.50000000000000 0.00000000000000 0.74743772495410 167.259 > 13 66 Er 0.00000000000000 0.00000000000000 0.75256227504590 167.259 > 14 67 Er 0.25000000000000 0.75000000000000 0.50256227504590 167.259 > 15 68 Er 0.25000000000000 0.75000000000000 0.99743772495410 167.259 > 16 69 Er 0.00000000000000 0.00000000000000 0.58391342703894 167.259 > 17 70 Er 0.50000000000000 0.00000000000000 0.91608657296106 167.259 > 18 71 Er 0.25000000000000 0.25000000000000 0.66608657296106 167.259 > 19 72 Er 0.25000000000000 0.25000000000000 0.83391342703894 167.259 > 20 73 Er 0.50000000000000 0.50000000000000 0.24743772495410 167.259 > 13 74 Er 0.00000000000000 0.50000000000000 0.25256227504590 167.259 > 14 75 Er 0.25000000000000 0.25000000000000 0.00256227504590 167.259 > 15 76 Er 0.25000000000000 0.25000000000000 0.49743772495410 167.259 > 16 77 Er 0.00000000000000 0.50000000000000 0.08391342703894 167.259 > 17 78 Er 0.50000000000000 0.50000000000000 0.41608657296106 167.259 > 18 79 Er 0.25000000000000 0.75000000000000 0.16608657296106 167.259 > 19 80 Er 0.25000000000000 0.75000000000000 0.33391342703894 167.259 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.058759880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.243772719999999 0.000000000000000 c 0.000000000000000 0.000000000000000 23.894385879999998 Atomic positions (fractional): *1 Se 0.49344392368140 0.75116930670734 0.08164343012205 78.960 > 1 2 Se 0.99344392368140 0.24883069329266 0.41835656987795 78.960 > 2 3 Se 0.00655607631860 0.75116930670734 0.41835656987795 78.960 > 3 4 Se 0.50655607631860 0.24883069329266 0.08164343012205 78.960 > 4 5 Se 0.25655607631860 0.99883069329266 0.16835656987795 78.960 > 5 6 Se 0.75655607631860 0.00116930670734 0.33164343012205 78.960 > 6 7 Se 0.24344392368140 0.99883069329266 0.33164343012205 78.960 > 7 8 Se 0.74344392368140 0.00116930670734 0.16835656987795 78.960 > 8 *9 Se 0.50538120053745 0.25000000000000 0.25000000000000 78.960 > 9 10 Se 0.99461879946255 0.25000000000000 0.25000000000000 78.960 > 10 11 Se 0.74461879946255 0.00000000000000 0.00000000000000 78.960 > 11 12 Se 0.25538120053745 0.00000000000000 0.00000000000000 78.960 > 12 13 Se 0.49344392368140 0.25116930670734 0.58164343012205 78.960 > 1 14 Se 0.99344392368140 0.74883069329266 0.91835656987795 78.960 > 2 15 Se 0.00655607631860 0.25116930670734 0.91835656987795 78.960 > 3 16 Se 0.50655607631860 0.74883069329266 0.58164343012205 78.960 > 4 17 Se 0.25655607631860 0.49883069329266 0.66835656987795 78.960 > 5 18 Se 0.75655607631860 0.50116930670734 0.83164343012205 78.960 > 6 19 Se 0.24344392368140 0.49883069329266 0.83164343012205 78.960 > 7 20 Se 0.74344392368140 0.50116930670734 0.66835656987795 78.960 > 8 21 Se 0.50538120053745 0.75000000000000 0.75000000000000 78.960 > 9 22 Se 0.99461879946255 0.75000000000000 0.75000000000000 78.960 > 10 23 Se 0.74461879946255 0.50000000000000 0.50000000000000 78.960 > 11 24 Se 0.25538120053745 0.50000000000000 0.50000000000000 78.960 > 12 25 Se 0.99344392368140 0.75116930670734 0.58164343012205 78.960 > 1 26 Se 0.49344392368140 0.24883069329266 0.91835656987795 78.960 > 2 27 Se 0.50655607631860 0.75116930670734 0.91835656987795 78.960 > 3 28 Se 0.00655607631860 0.24883069329266 0.58164343012205 78.960 > 4 29 Se 0.75655607631860 0.99883069329266 0.66835656987795 78.960 > 5 30 Se 0.25655607631860 0.00116930670734 0.83164343012205 78.960 > 6 31 Se 0.74344392368140 0.99883069329266 0.83164343012205 78.960 > 7 32 Se 0.24344392368140 0.00116930670734 0.66835656987795 78.960 > 8 33 Se 0.00538120053745 0.25000000000000 0.75000000000000 78.960 > 9 34 Se 0.49461879946255 0.25000000000000 0.75000000000000 78.960 > 10 35 Se 0.24461879946255 0.00000000000000 0.50000000000000 78.960 > 11 36 Se 0.75538120053745 0.00000000000000 0.50000000000000 78.960 > 12 37 Se 0.99344392368140 0.25116930670734 0.08164343012205 78.960 > 1 38 Se 0.49344392368140 0.74883069329266 0.41835656987795 78.960 > 2 39 Se 0.50655607631860 0.25116930670734 0.41835656987795 78.960 > 3 40 Se 0.00655607631860 0.74883069329266 0.08164343012205 78.960 > 4 41 Se 0.75655607631860 0.49883069329266 0.16835656987795 78.960 > 5 42 Se 0.25655607631860 0.50116930670734 0.33164343012205 78.960 > 6 43 Se 0.74344392368140 0.49883069329266 0.33164343012205 78.960 > 7 44 Se 0.24344392368140 0.50116930670734 0.16835656987795 78.960 > 8 45 Se 0.00538120053745 0.75000000000000 0.25000000000000 78.960 > 9 46 Se 0.49461879946255 0.75000000000000 0.25000000000000 78.960 > 10 47 Se 0.24461879946255 0.50000000000000 0.00000000000000 78.960 > 11 48 Se 0.75538120053745 0.50000000000000 0.00000000000000 78.960 > 12 *49 Er 0.00000000000000 0.00000000000000 0.24743772495410 167.259 > 13 50 Er 0.50000000000000 0.00000000000000 0.25256227504590 167.259 > 14 51 Er 0.75000000000000 0.75000000000000 0.00256227504590 167.259 > 15 52 Er 0.75000000000000 0.75000000000000 0.49743772495410 167.259 > 16 *53 Er 0.50000000000000 0.00000000000000 0.08391342703894 167.259 > 17 54 Er 0.00000000000000 0.00000000000000 0.41608657296106 167.259 > 18 55 Er 0.75000000000000 0.25000000000000 0.16608657296106 167.259 > 19 56 Er 0.75000000000000 0.25000000000000 0.33391342703894 167.259 > 20 57 Er 0.00000000000000 0.50000000000000 0.74743772495410 167.259 > 13 58 Er 0.50000000000000 0.50000000000000 0.75256227504590 167.259 > 14 59 Er 0.75000000000000 0.25000000000000 0.50256227504590 167.259 > 15 60 Er 0.75000000000000 0.25000000000000 0.99743772495410 167.259 > 16 61 Er 0.50000000000000 0.50000000000000 0.58391342703894 167.259 > 17 62 Er 0.00000000000000 0.50000000000000 0.91608657296106 167.259 > 18 63 Er 0.75000000000000 0.75000000000000 0.66608657296106 167.259 > 19 64 Er 0.75000000000000 0.75000000000000 0.83391342703894 167.259 > 20 65 Er 0.50000000000000 0.00000000000000 0.74743772495410 167.259 > 13 66 Er 0.00000000000000 0.00000000000000 0.75256227504590 167.259 > 14 67 Er 0.25000000000000 0.75000000000000 0.50256227504590 167.259 > 15 68 Er 0.25000000000000 0.75000000000000 0.99743772495410 167.259 > 16 69 Er 0.00000000000000 0.00000000000000 0.58391342703894 167.259 > 17 70 Er 0.50000000000000 0.00000000000000 0.91608657296106 167.259 > 18 71 Er 0.25000000000000 0.25000000000000 0.66608657296106 167.259 > 19 72 Er 0.25000000000000 0.25000000000000 0.83391342703894 167.259 > 20 73 Er 0.50000000000000 0.50000000000000 0.24743772495410 167.259 > 13 74 Er 0.00000000000000 0.50000000000000 0.25256227504590 167.259 > 14 75 Er 0.25000000000000 0.25000000000000 0.00256227504590 167.259 > 15 76 Er 0.25000000000000 0.25000000000000 0.49743772495410 167.259 > 16 77 Er 0.00000000000000 0.50000000000000 0.08391342703894 167.259 > 17 78 Er 0.50000000000000 0.50000000000000 0.41608657296106 167.259 > 18 79 Er 0.25000000000000 0.75000000000000 0.16608657296106 167.259 > 19 80 Er 0.25000000000000 0.75000000000000 0.33391342703894 167.259 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8979245 0.0000000 0.0000000 0.0000000 7.6940865 0.0000000 0.0000000 0.0000000 7.8144976 -------------------------- Born effective charges -------------------------- 1 Se -3.1333197 -0.2529496 0.8788893 -0.2429888 -2.0510195 -0.2022426 0.8473024 -0.2304550 -2.9011727 2 Se -3.1333197 0.2529496 -0.8788893 0.2429888 -2.0510195 -0.2022426 -0.8473024 -0.2304550 -2.9011727 3 Se -3.1333197 0.2529496 0.8788893 0.2429888 -2.0510195 0.2022426 0.8473024 0.2304550 -2.9011727 4 Se -3.1333197 -0.2529496 -0.8788893 -0.2429888 -2.0510195 0.2022426 -0.8473024 0.2304550 -2.9011727 5 Se -3.1333197 -0.2529496 0.8788893 -0.2429888 -2.0510195 -0.2022426 0.8473024 -0.2304550 -2.9011727 6 Se -3.1333197 0.2529496 -0.8788893 0.2429888 -2.0510195 -0.2022426 -0.8473024 -0.2304550 -2.9011727 7 Se -3.1333197 0.2529496 0.8788893 0.2429888 -2.0510195 0.2022426 0.8473024 0.2304550 -2.9011727 8 Se -3.1333197 -0.2529496 -0.8788893 -0.2429888 -2.0510195 0.2022426 -0.8473024 0.2304550 -2.9011727 9 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 0.1030908 0.0000000 0.1385709 -2.3456845 10 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 -0.1030908 0.0000000 -0.1385709 -2.3456845 11 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 0.1030908 0.0000000 0.1385709 -2.3456845 12 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 -0.1030908 0.0000000 -0.1385709 -2.3456845 13 Er 4.7079841 -1.1986044 0.0000000 -1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 14 Er 4.7079841 1.1986044 0.0000000 1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 15 Er 4.7079841 -1.1986044 0.0000000 -1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 16 Er 4.7079841 1.1986044 0.0000000 1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 17 Er 3.1793752 0.6658559 0.0000000 0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 18 Er 3.1793752 -0.6658559 0.0000000 -0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 19 Er 3.1793752 0.6658559 0.0000000 0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 20 Er 3.1793752 -0.6658559 0.0000000 -0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 9978/9978 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 985 Number of blocks in projector: 985 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 135 Use standard eigh solver. Tree of FC basis block matrices: - (985, 961), data: False |-- (135, 131), data: True |-- (135, 131), data: True |-- (135, 131), data: True |-- (180, 178), data: True |-- (188, 184), data: True |-- (212, 206), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.757 Solver_block: 200 / 320 - Time: 0.754 Solver_block: 300 / 320 - Time: 0.752 Solver_block: 320 / 320 - Time: 0.199 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.479 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 9978/9978 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 985 Number of blocks in projector: 985 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 135 Use standard eigh solver. Tree of FC basis block matrices: - (985, 961), data: False |-- (135, 131), data: True |-- (135, 131), data: True |-- (135, 131), data: True |-- (180, 178), data: True |-- (188, 184), data: True |-- (212, 206), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:30:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:30:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 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 5.621886360000000 11.947192939999999 b 4.029379940000000 0.000000000000000 11.947192939999999 c 4.029379940000000 5.621886360000000 0.000000000000000 Atomic positions (fractional): 1 Se 0.33936881314799 0.82391804709611 0.16296980026669 78.960 2 Se 0.67374333948921 0.16296980026669 0.82391804709611 78.960 3 Se 0.16296980026669 0.67374333948921 0.33936881314799 78.960 4 Se 0.82391804709611 0.33936881314799 0.67374333948921 78.960 5 Se 0.91063118685201 0.42608195290389 0.08703019973331 78.960 6 Se 0.57625666051079 0.08703019973331 0.42608195290389 78.960 7 Se 0.08703019973331 0.57625666051079 0.91063118685201 78.960 8 Se 0.42608195290389 0.91063118685201 0.57625666051079 78.960 9 Se 0.99461879946255 0.50538120053745 0.50538120053745 78.960 10 Se 0.50538120053745 0.99461879946255 0.99461879946255 78.960 11 Se 0.25538120053745 0.74461879946255 0.74461879946255 78.960 12 Se 0.74461879946255 0.25538120053745 0.25538120053745 78.960 13 Er 0.24743772495410 0.24743772495410 0.75256227504590 167.259 14 Er 0.75256227504590 0.75256227504590 0.24743772495410 167.259 15 Er 0.00256227504590 0.00256227504590 0.49743772495410 167.259 16 Er 0.49743772495410 0.49743772495410 0.00256227504590 167.259 17 Er 0.58391342703894 0.58391342703894 0.41608657296106 167.259 18 Er 0.41608657296106 0.41608657296106 0.58391342703894 167.259 19 Er 0.66608657296106 0.66608657296106 0.83391342703894 167.259 20 Er 0.83391342703894 0.83391342703894 0.66608657296106 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.058759880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.243772719999999 0.000000000000000 c 0.000000000000000 0.000000000000000 23.894385879999998 Atomic positions (fractional): 1 Se 0.49344392368140 0.75116930670734 0.08164343012205 78.960 > 1 2 Se 0.99344392368140 0.24883069329266 0.41835656987795 78.960 > 2 3 Se 0.00655607631860 0.75116930670734 0.41835656987795 78.960 > 3 4 Se 0.50655607631860 0.24883069329266 0.08164343012205 78.960 > 4 5 Se 0.25655607631860 0.99883069329266 0.16835656987795 78.960 > 5 6 Se 0.75655607631860 0.00116930670734 0.33164343012205 78.960 > 6 7 Se 0.24344392368140 0.99883069329266 0.33164343012205 78.960 > 7 8 Se 0.74344392368140 0.00116930670734 0.16835656987795 78.960 > 8 9 Se 0.50538120053745 0.25000000000000 0.25000000000000 78.960 > 9 10 Se 0.99461879946255 0.25000000000000 0.25000000000000 78.960 > 10 11 Se 0.74461879946255 0.00000000000000 0.00000000000000 78.960 > 11 12 Se 0.25538120053745 0.00000000000000 0.00000000000000 78.960 > 12 13 Se 0.49344392368140 0.25116930670734 0.58164343012205 78.960 > 1 14 Se 0.99344392368140 0.74883069329266 0.91835656987795 78.960 > 2 15 Se 0.00655607631860 0.25116930670734 0.91835656987795 78.960 > 3 16 Se 0.50655607631860 0.74883069329266 0.58164343012205 78.960 > 4 17 Se 0.25655607631860 0.49883069329266 0.66835656987795 78.960 > 5 18 Se 0.75655607631860 0.50116930670734 0.83164343012205 78.960 > 6 19 Se 0.24344392368140 0.49883069329266 0.83164343012205 78.960 > 7 20 Se 0.74344392368140 0.50116930670734 0.66835656987795 78.960 > 8 21 Se 0.50538120053745 0.75000000000000 0.75000000000000 78.960 > 9 22 Se 0.99461879946255 0.75000000000000 0.75000000000000 78.960 > 10 23 Se 0.74461879946255 0.50000000000000 0.50000000000000 78.960 > 11 24 Se 0.25538120053745 0.50000000000000 0.50000000000000 78.960 > 12 25 Se 0.99344392368140 0.75116930670734 0.58164343012205 78.960 > 1 26 Se 0.49344392368140 0.24883069329266 0.91835656987795 78.960 > 2 27 Se 0.50655607631860 0.75116930670734 0.91835656987795 78.960 > 3 28 Se 0.00655607631860 0.24883069329266 0.58164343012205 78.960 > 4 29 Se 0.75655607631860 0.99883069329266 0.66835656987795 78.960 > 5 30 Se 0.25655607631860 0.00116930670734 0.83164343012205 78.960 > 6 31 Se 0.74344392368140 0.99883069329266 0.83164343012205 78.960 > 7 32 Se 0.24344392368140 0.00116930670734 0.66835656987795 78.960 > 8 33 Se 0.00538120053745 0.25000000000000 0.75000000000000 78.960 > 9 34 Se 0.49461879946255 0.25000000000000 0.75000000000000 78.960 > 10 35 Se 0.24461879946255 0.00000000000000 0.50000000000000 78.960 > 11 36 Se 0.75538120053745 0.00000000000000 0.50000000000000 78.960 > 12 37 Se 0.99344392368140 0.25116930670734 0.08164343012205 78.960 > 1 38 Se 0.49344392368140 0.74883069329266 0.41835656987795 78.960 > 2 39 Se 0.50655607631860 0.25116930670734 0.41835656987795 78.960 > 3 40 Se 0.00655607631860 0.74883069329266 0.08164343012205 78.960 > 4 41 Se 0.75655607631860 0.49883069329266 0.16835656987795 78.960 > 5 42 Se 0.25655607631860 0.50116930670734 0.33164343012205 78.960 > 6 43 Se 0.74344392368140 0.49883069329266 0.33164343012205 78.960 > 7 44 Se 0.24344392368140 0.50116930670734 0.16835656987795 78.960 > 8 45 Se 0.00538120053745 0.75000000000000 0.25000000000000 78.960 > 9 46 Se 0.49461879946255 0.75000000000000 0.25000000000000 78.960 > 10 47 Se 0.24461879946255 0.50000000000000 0.00000000000000 78.960 > 11 48 Se 0.75538120053745 0.50000000000000 0.00000000000000 78.960 > 12 49 Er 0.00000000000000 0.00000000000000 0.24743772495410 167.259 > 49 50 Er 0.50000000000000 0.00000000000000 0.25256227504590 167.259 > 50 51 Er 0.75000000000000 0.75000000000000 0.00256227504590 167.259 > 51 52 Er 0.75000000000000 0.75000000000000 0.49743772495410 167.259 > 52 53 Er 0.50000000000000 0.00000000000000 0.08391342703894 167.259 > 53 54 Er 0.00000000000000 0.00000000000000 0.41608657296106 167.259 > 54 55 Er 0.75000000000000 0.25000000000000 0.16608657296106 167.259 > 55 56 Er 0.75000000000000 0.25000000000000 0.33391342703894 167.259 > 56 57 Er 0.00000000000000 0.50000000000000 0.74743772495410 167.259 > 49 58 Er 0.50000000000000 0.50000000000000 0.75256227504590 167.259 > 50 59 Er 0.75000000000000 0.25000000000000 0.50256227504590 167.259 > 51 60 Er 0.75000000000000 0.25000000000000 0.99743772495410 167.259 > 52 61 Er 0.50000000000000 0.50000000000000 0.58391342703894 167.259 > 53 62 Er 0.00000000000000 0.50000000000000 0.91608657296106 167.259 > 54 63 Er 0.75000000000000 0.75000000000000 0.66608657296106 167.259 > 55 64 Er 0.75000000000000 0.75000000000000 0.83391342703894 167.259 > 56 65 Er 0.50000000000000 0.00000000000000 0.74743772495410 167.259 > 49 66 Er 0.00000000000000 0.00000000000000 0.75256227504590 167.259 > 50 67 Er 0.25000000000000 0.75000000000000 0.50256227504590 167.259 > 51 68 Er 0.25000000000000 0.75000000000000 0.99743772495410 167.259 > 52 69 Er 0.00000000000000 0.00000000000000 0.58391342703894 167.259 > 53 70 Er 0.50000000000000 0.00000000000000 0.91608657296106 167.259 > 54 71 Er 0.25000000000000 0.25000000000000 0.66608657296106 167.259 > 55 72 Er 0.25000000000000 0.25000000000000 0.83391342703894 167.259 > 56 73 Er 0.50000000000000 0.50000000000000 0.24743772495410 167.259 > 49 74 Er 0.00000000000000 0.50000000000000 0.25256227504590 167.259 > 50 75 Er 0.25000000000000 0.25000000000000 0.00256227504590 167.259 > 51 76 Er 0.25000000000000 0.25000000000000 0.49743772495410 167.259 > 52 77 Er 0.00000000000000 0.50000000000000 0.08391342703894 167.259 > 53 78 Er 0.50000000000000 0.50000000000000 0.41608657296106 167.259 > 54 79 Er 0.25000000000000 0.75000000000000 0.16608657296106 167.259 > 55 80 Er 0.25000000000000 0.75000000000000 0.33391342703894 167.259 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8979245 0.0000000 0.0000000 0.0000000 7.6940865 0.0000000 0.0000000 0.0000000 7.8144976 -------------------------- Born effective charges -------------------------- 1 Se -3.1333197 -0.2529496 0.8788893 -0.2429888 -2.0510195 -0.2022426 0.8473024 -0.2304550 -2.9011727 2 Se -3.1333197 0.2529496 -0.8788893 0.2429888 -2.0510195 -0.2022426 -0.8473024 -0.2304550 -2.9011727 3 Se -3.1333197 0.2529496 0.8788893 0.2429888 -2.0510195 0.2022426 0.8473024 0.2304550 -2.9011727 4 Se -3.1333197 -0.2529496 -0.8788893 -0.2429888 -2.0510195 0.2022426 -0.8473024 0.2304550 -2.9011727 5 Se -3.1333197 -0.2529496 0.8788893 -0.2429888 -2.0510195 -0.2022426 0.8473024 -0.2304550 -2.9011727 6 Se -3.1333197 0.2529496 -0.8788893 0.2429888 -2.0510195 -0.2022426 -0.8473024 -0.2304550 -2.9011727 7 Se -3.1333197 0.2529496 0.8788893 0.2429888 -2.0510195 0.2022426 0.8473024 0.2304550 -2.9011727 8 Se -3.1333197 -0.2529496 -0.8788893 -0.2429888 -2.0510195 0.2022426 -0.8473024 0.2304550 -2.9011727 9 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 0.1030908 0.0000000 0.1385709 -2.3456845 10 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 -0.1030908 0.0000000 -0.1385709 -2.3456845 11 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 0.1030908 0.0000000 0.1385709 -2.3456845 12 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 -0.1030908 0.0000000 -0.1385709 -2.3456845 13 Er 4.7079841 -1.1986044 0.0000000 -1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 14 Er 4.7079841 1.1986044 0.0000000 1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 15 Er 4.7079841 -1.1986044 0.0000000 -1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 16 Er 4.7079841 1.1986044 0.0000000 1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 17 Er 3.1793752 0.6658559 0.0000000 0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 18 Er 3.1793752 -0.6658559 0.0000000 -0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 19 Er 3.1793752 0.6658559 0.0000000 0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 20 Er 3.1793752 -0.6658559 0.0000000 -0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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: 0.00000025 (xzx) 0.00000025 (xzx) 0.00000025 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:30:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:30:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 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 5.621886360000000 11.947192939999999 b 4.029379940000000 0.000000000000000 11.947192939999999 c 4.029379940000000 5.621886360000000 0.000000000000000 Atomic positions (fractional): 1 Se 0.33936881314799 0.82391804709611 0.16296980026669 78.960 2 Se 0.67374333948921 0.16296980026669 0.82391804709611 78.960 3 Se 0.16296980026669 0.67374333948921 0.33936881314799 78.960 4 Se 0.82391804709611 0.33936881314799 0.67374333948921 78.960 5 Se 0.91063118685201 0.42608195290389 0.08703019973331 78.960 6 Se 0.57625666051079 0.08703019973331 0.42608195290389 78.960 7 Se 0.08703019973331 0.57625666051079 0.91063118685201 78.960 8 Se 0.42608195290389 0.91063118685201 0.57625666051079 78.960 9 Se 0.99461879946255 0.50538120053745 0.50538120053745 78.960 10 Se 0.50538120053745 0.99461879946255 0.99461879946255 78.960 11 Se 0.25538120053745 0.74461879946255 0.74461879946255 78.960 12 Se 0.74461879946255 0.25538120053745 0.25538120053745 78.960 13 Er 0.24743772495410 0.24743772495410 0.75256227504590 167.259 14 Er 0.75256227504590 0.75256227504590 0.24743772495410 167.259 15 Er 0.00256227504590 0.00256227504590 0.49743772495410 167.259 16 Er 0.49743772495410 0.49743772495410 0.00256227504590 167.259 17 Er 0.58391342703894 0.58391342703894 0.41608657296106 167.259 18 Er 0.41608657296106 0.41608657296106 0.58391342703894 167.259 19 Er 0.66608657296106 0.66608657296106 0.83391342703894 167.259 20 Er 0.83391342703894 0.83391342703894 0.66608657296106 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.058759880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.243772719999999 0.000000000000000 c 0.000000000000000 0.000000000000000 23.894385879999998 Atomic positions (fractional): 1 Se 0.49344392368140 0.75116930670734 0.08164343012205 78.960 > 1 2 Se 0.99344392368140 0.24883069329266 0.41835656987795 78.960 > 2 3 Se 0.00655607631860 0.75116930670734 0.41835656987795 78.960 > 3 4 Se 0.50655607631860 0.24883069329266 0.08164343012205 78.960 > 4 5 Se 0.25655607631860 0.99883069329266 0.16835656987795 78.960 > 5 6 Se 0.75655607631860 0.00116930670734 0.33164343012205 78.960 > 6 7 Se 0.24344392368140 0.99883069329266 0.33164343012205 78.960 > 7 8 Se 0.74344392368140 0.00116930670734 0.16835656987795 78.960 > 8 9 Se 0.50538120053745 0.25000000000000 0.25000000000000 78.960 > 9 10 Se 0.99461879946255 0.25000000000000 0.25000000000000 78.960 > 10 11 Se 0.74461879946255 0.00000000000000 0.00000000000000 78.960 > 11 12 Se 0.25538120053745 0.00000000000000 0.00000000000000 78.960 > 12 13 Se 0.49344392368140 0.25116930670734 0.58164343012205 78.960 > 1 14 Se 0.99344392368140 0.74883069329266 0.91835656987795 78.960 > 2 15 Se 0.00655607631860 0.25116930670734 0.91835656987795 78.960 > 3 16 Se 0.50655607631860 0.74883069329266 0.58164343012205 78.960 > 4 17 Se 0.25655607631860 0.49883069329266 0.66835656987795 78.960 > 5 18 Se 0.75655607631860 0.50116930670734 0.83164343012205 78.960 > 6 19 Se 0.24344392368140 0.49883069329266 0.83164343012205 78.960 > 7 20 Se 0.74344392368140 0.50116930670734 0.66835656987795 78.960 > 8 21 Se 0.50538120053745 0.75000000000000 0.75000000000000 78.960 > 9 22 Se 0.99461879946255 0.75000000000000 0.75000000000000 78.960 > 10 23 Se 0.74461879946255 0.50000000000000 0.50000000000000 78.960 > 11 24 Se 0.25538120053745 0.50000000000000 0.50000000000000 78.960 > 12 25 Se 0.99344392368140 0.75116930670734 0.58164343012205 78.960 > 1 26 Se 0.49344392368140 0.24883069329266 0.91835656987795 78.960 > 2 27 Se 0.50655607631860 0.75116930670734 0.91835656987795 78.960 > 3 28 Se 0.00655607631860 0.24883069329266 0.58164343012205 78.960 > 4 29 Se 0.75655607631860 0.99883069329266 0.66835656987795 78.960 > 5 30 Se 0.25655607631860 0.00116930670734 0.83164343012205 78.960 > 6 31 Se 0.74344392368140 0.99883069329266 0.83164343012205 78.960 > 7 32 Se 0.24344392368140 0.00116930670734 0.66835656987795 78.960 > 8 33 Se 0.00538120053745 0.25000000000000 0.75000000000000 78.960 > 9 34 Se 0.49461879946255 0.25000000000000 0.75000000000000 78.960 > 10 35 Se 0.24461879946255 0.00000000000000 0.50000000000000 78.960 > 11 36 Se 0.75538120053745 0.00000000000000 0.50000000000000 78.960 > 12 37 Se 0.99344392368140 0.25116930670734 0.08164343012205 78.960 > 1 38 Se 0.49344392368140 0.74883069329266 0.41835656987795 78.960 > 2 39 Se 0.50655607631860 0.25116930670734 0.41835656987795 78.960 > 3 40 Se 0.00655607631860 0.74883069329266 0.08164343012205 78.960 > 4 41 Se 0.75655607631860 0.49883069329266 0.16835656987795 78.960 > 5 42 Se 0.25655607631860 0.50116930670734 0.33164343012205 78.960 > 6 43 Se 0.74344392368140 0.49883069329266 0.33164343012205 78.960 > 7 44 Se 0.24344392368140 0.50116930670734 0.16835656987795 78.960 > 8 45 Se 0.00538120053745 0.75000000000000 0.25000000000000 78.960 > 9 46 Se 0.49461879946255 0.75000000000000 0.25000000000000 78.960 > 10 47 Se 0.24461879946255 0.50000000000000 0.00000000000000 78.960 > 11 48 Se 0.75538120053745 0.50000000000000 0.00000000000000 78.960 > 12 49 Er 0.00000000000000 0.00000000000000 0.24743772495410 167.259 > 49 50 Er 0.50000000000000 0.00000000000000 0.25256227504590 167.259 > 50 51 Er 0.75000000000000 0.75000000000000 0.00256227504590 167.259 > 51 52 Er 0.75000000000000 0.75000000000000 0.49743772495410 167.259 > 52 53 Er 0.50000000000000 0.00000000000000 0.08391342703894 167.259 > 53 54 Er 0.00000000000000 0.00000000000000 0.41608657296106 167.259 > 54 55 Er 0.75000000000000 0.25000000000000 0.16608657296106 167.259 > 55 56 Er 0.75000000000000 0.25000000000000 0.33391342703894 167.259 > 56 57 Er 0.00000000000000 0.50000000000000 0.74743772495410 167.259 > 49 58 Er 0.50000000000000 0.50000000000000 0.75256227504590 167.259 > 50 59 Er 0.75000000000000 0.25000000000000 0.50256227504590 167.259 > 51 60 Er 0.75000000000000 0.25000000000000 0.99743772495410 167.259 > 52 61 Er 0.50000000000000 0.50000000000000 0.58391342703894 167.259 > 53 62 Er 0.00000000000000 0.50000000000000 0.91608657296106 167.259 > 54 63 Er 0.75000000000000 0.75000000000000 0.66608657296106 167.259 > 55 64 Er 0.75000000000000 0.75000000000000 0.83391342703894 167.259 > 56 65 Er 0.50000000000000 0.00000000000000 0.74743772495410 167.259 > 49 66 Er 0.00000000000000 0.00000000000000 0.75256227504590 167.259 > 50 67 Er 0.25000000000000 0.75000000000000 0.50256227504590 167.259 > 51 68 Er 0.25000000000000 0.75000000000000 0.99743772495410 167.259 > 52 69 Er 0.00000000000000 0.00000000000000 0.58391342703894 167.259 > 53 70 Er 0.50000000000000 0.00000000000000 0.91608657296106 167.259 > 54 71 Er 0.25000000000000 0.25000000000000 0.66608657296106 167.259 > 55 72 Er 0.25000000000000 0.25000000000000 0.83391342703894 167.259 > 56 73 Er 0.50000000000000 0.50000000000000 0.24743772495410 167.259 > 49 74 Er 0.00000000000000 0.50000000000000 0.25256227504590 167.259 > 50 75 Er 0.25000000000000 0.25000000000000 0.00256227504590 167.259 > 51 76 Er 0.25000000000000 0.25000000000000 0.49743772495410 167.259 > 52 77 Er 0.00000000000000 0.50000000000000 0.08391342703894 167.259 > 53 78 Er 0.50000000000000 0.50000000000000 0.41608657296106 167.259 > 54 79 Er 0.25000000000000 0.75000000000000 0.16608657296106 167.259 > 55 80 Er 0.25000000000000 0.75000000000000 0.33391342703894 167.259 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.8979245 0.0000000 0.0000000 0.0000000 7.6940865 0.0000000 0.0000000 0.0000000 7.8144976 -------------------------- Born effective charges -------------------------- 1 Se -3.1333197 -0.2529496 0.8788893 -0.2429888 -2.0510195 -0.2022426 0.8473024 -0.2304550 -2.9011727 2 Se -3.1333197 0.2529496 -0.8788893 0.2429888 -2.0510195 -0.2022426 -0.8473024 -0.2304550 -2.9011727 3 Se -3.1333197 0.2529496 0.8788893 0.2429888 -2.0510195 0.2022426 0.8473024 0.2304550 -2.9011727 4 Se -3.1333197 -0.2529496 -0.8788893 -0.2429888 -2.0510195 0.2022426 -0.8473024 0.2304550 -2.9011727 5 Se -3.1333197 -0.2529496 0.8788893 -0.2429888 -2.0510195 -0.2022426 0.8473024 -0.2304550 -2.9011727 6 Se -3.1333197 0.2529496 -0.8788893 0.2429888 -2.0510195 -0.2022426 -0.8473024 -0.2304550 -2.9011727 7 Se -3.1333197 0.2529496 0.8788893 0.2429888 -2.0510195 0.2022426 0.8473024 0.2304550 -2.9011727 8 Se -3.1333197 -0.2529496 -0.8788893 -0.2429888 -2.0510195 0.2022426 -0.8473024 0.2304550 -2.9011727 9 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 0.1030908 0.0000000 0.1385709 -2.3456845 10 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 -0.1030908 0.0000000 -0.1385709 -2.3456845 11 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 0.1030908 0.0000000 0.1385709 -2.3456845 12 Se -1.6207199 0.0000000 0.0000000 0.0000000 -3.7231676 -0.1030908 0.0000000 -0.1385709 -2.3456845 13 Er 4.7079841 -1.1986044 0.0000000 -1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 14 Er 4.7079841 1.1986044 0.0000000 1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 15 Er 4.7079841 -1.1986044 0.0000000 -1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 16 Er 4.7079841 1.1986044 0.0000000 1.3574944 4.4927512 0.0000000 0.0000000 0.0000000 3.3833429 17 Er 3.1793752 0.6658559 0.0000000 0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 18 Er 3.1793752 -0.6658559 0.0000000 -0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 19 Er 3.1793752 0.6658559 0.0000000 0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 20 Er 3.1793752 -0.6658559 0.0000000 -0.6248662 3.3324553 0.0000000 0.0000000 0.0000000 4.7646869 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000025 (xzx) 0.00000025 (xzx) 0.00000025 (xxz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 313, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 -0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 -0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 -0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 -0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 -0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 -0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 -0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -19.287 9.555 3.033) 21.737 0.471 ( -16.833 14.077 8.078) 23.383 0.623 ( -21.635 19.819 9.499) 30.840 1.148 ( -2.432 13.790 -2.437) 14.214 1.630 ( -5.773 -1.032 -8.645) 10.446 1.730 ( 2.251 -3.025 -1.112) 3.931 1.787 ( 0.166 1.250 -2.230) 2.562 1.887 ( 0.759 1.023 10.170) 10.249 1.991 ( -2.979 -0.689 2.399) 3.887 2.130 ( -0.614 -4.742 -2.421) 5.360 2.154 ( 1.206 4.064 -0.429) 4.261 2.219 ( 0.884 -1.198 -1.466) 2.090 2.253 ( 0.599 2.452 -1.027) 2.725 2.320 ( -2.753 0.653 3.399) 4.422 2.365 ( 1.471 0.292 1.669) 2.244 2.478 ( -0.391 2.940 -8.775) 9.262 2.635 ( 0.157 -2.123 0.544) 2.197 2.892 ( 3.185 -2.197 -1.851) 4.289 2.913 ( 0.556 -2.550 3.730) 4.552 2.983 ( 3.686 5.806 -2.562) 7.339 3.076 ( 5.505 1.631 1.834) 6.027 3.166 ( 0.290 0.892 -0.217) 0.963 3.273 ( -3.257 -3.473 0.364) 4.775 3.379 ( -6.341 -9.221 -0.788) 11.218 3.734 ( -3.768 -0.024 0.208) 3.773 3.814 ( 2.966 0.705 0.590) 3.105 3.846 ( -0.570 -0.463 -1.316) 1.508 3.891 ( -5.910 -6.606 0.133) 8.865 3.961 ( 1.254 -0.234 -0.911) 1.567 4.033 ( -0.141 -0.322 -0.574) 0.673 4.045 ( -0.222 1.683 -0.097) 1.701 4.053 ( 0.916 -1.154 0.966) 1.761 4.099 ( 1.518 0.878 3.354) 3.784 4.159 ( 0.149 0.779 1.845) 2.009 4.190 ( -2.112 0.336 -0.720) 2.256 4.314 ( 6.120 8.563 6.710) 12.482 4.362 ( 0.083 -0.930 0.181) 0.951 4.365 ( 2.622 -1.749 0.449) 3.184 4.451 ( -2.429 -2.663 -1.011) 3.744 4.540 ( 3.138 -1.226 0.098) 3.371 4.622 ( 1.905 -1.445 -1.442) 2.792 4.650 ( -1.797 -2.574 1.200) 3.361 4.751 ( 0.940 -2.341 1.488) 2.929 4.831 ( 0.481 -3.017 -0.713) 3.137 4.840 ( -3.668 -2.404 0.486) 4.413 4.923 ( -3.932 -3.587 -1.249) 5.467 4.974 ( -0.872 -1.666 -4.929) 5.276 4.998 ( -0.459 -1.686 0.556) 1.834 5.061 ( -2.102 -2.544 2.393) 4.076 5.089 ( -0.322 2.143 -0.097) 2.169 5.103 ( 0.772 1.914 0.747) 2.195 5.142 ( -0.942 3.234 0.600) 3.422 5.218 ( 2.686 -0.839 1.234) 3.072 5.297 ( 1.409 -0.752 -0.130) 1.602 5.586 ( 0.770 -0.402 -0.056) 0.870 5.668 ( 0.559 0.840 -0.902) 1.353 5.748 ( -3.162 0.716 -2.850) 4.317 5.949 ( 2.931 -0.099 -3.914) 4.891 6.116 ( 6.432 1.739 3.753) 7.647 6.338 ( 3.326 0.784 0.426) 3.443 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -15.470 8.735 2.164) 17.897 0.909 ( -15.987 10.818 7.806) 20.822 1.176 ( -16.404 14.765 7.131) 23.194 1.362 ( -3.860 17.304 -3.268) 18.028 1.607 ( 0.121 1.105 -10.090) 10.151 1.737 ( -6.007 -1.799 -2.100) 6.613 1.806 ( -1.187 3.034 1.231) 3.482 1.941 ( 0.507 0.977 7.416) 7.498 2.053 ( -3.399 -1.149 2.300) 4.262 2.083 ( -0.795 -3.320 2.201) 4.062 2.172 ( -0.377 -2.172 -4.020) 4.585 2.185 ( 1.609 3.758 0.761) 4.158 2.240 ( 0.585 -0.615 -3.551) 3.651 2.317 ( 4.574 2.454 -0.002) 5.191 2.403 ( -1.623 -0.479 6.618) 6.831 2.489 ( -1.822 3.448 -9.959) 10.695 2.612 ( -0.091 -2.125 1.788) 2.779 2.795 ( 2.656 -2.848 -3.284) 5.094 2.871 ( 2.538 -3.306 0.920) 4.268 2.968 ( 3.279 2.903 -0.974) 4.486 3.016 ( 5.298 0.816 0.997) 5.453 3.121 ( 2.807 -3.429 -1.157) 4.580 3.305 ( -3.845 -2.625 1.316) 4.838 3.363 ( -3.575 -7.511 1.816) 8.514 3.786 ( 1.198 1.315 -0.380) 1.819 3.811 ( -4.991 -1.213 0.386) 5.151 3.838 ( 1.316 0.355 1.114) 1.760 3.909 ( -5.323 -5.910 -0.802) 7.994 3.940 ( 0.809 -0.392 0.794) 1.199 4.012 ( 1.396 -0.098 -0.210) 1.415 4.039 ( 0.811 0.742 1.986) 2.269 4.075 ( 1.016 1.761 0.180) 2.041 4.093 ( 0.550 0.776 1.205) 1.535 4.180 ( 0.106 0.681 2.970) 3.049 4.231 ( -2.618 0.212 -0.573) 2.689 4.295 ( 2.831 -0.937 0.807) 3.089 4.342 ( 0.910 -0.029 -0.131) 0.920 4.349 ( 1.101 -0.100 0.552) 1.236 4.439 ( 0.616 -0.110 -2.461) 2.539 4.490 ( 0.199 -2.868 1.195) 3.113 4.566 ( 1.553 -1.371 -2.077) 2.933 4.663 ( -3.256 -3.869 2.682) 5.724 4.707 ( 1.648 -3.070 0.300) 3.497 4.758 ( 2.378 -3.061 1.453) 4.139 4.884 ( -1.769 -2.597 -1.157) 3.348 4.920 ( -1.772 -2.858 -3.082) 4.561 4.938 ( -1.617 -0.590 -3.117) 3.561 4.994 ( -1.788 -3.392 2.559) 4.610 5.082 ( 1.124 0.690 0.737) 1.511 5.096 ( 2.867 1.983 1.900) 3.970 5.125 ( -0.850 0.987 1.691) 2.135 5.158 ( 2.572 0.793 -0.164) 2.696 5.232 ( -3.837 2.866 0.812) 4.858 5.295 ( -3.096 -0.375 -0.369) 3.140 5.552 ( 1.803 -1.897 0.744) 2.721 5.658 ( 1.296 0.878 -2.626) 3.057 5.791 ( -1.589 -0.375 -0.029) 1.633 5.878 ( 2.936 0.935 -3.011) 4.308 6.029 ( 9.928 2.260 4.751) 11.236 6.279 ( 3.644 -0.497 -2.845) 4.650 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -9.052 5.624 1.128) 10.717 1.277 ( -13.575 6.091 7.382) 16.610 1.403 ( -2.746 2.175 -1.117) 3.677 1.535 ( 1.868 6.497 -5.127) 8.484 1.709 ( -6.199 11.391 0.086) 12.969 1.790 ( -5.064 0.447 -3.881) 6.396 1.924 ( -0.058 1.820 3.454) 3.904 1.937 ( -0.923 1.546 2.622) 3.181 2.070 ( -1.858 -3.104 1.141) 3.793 2.089 ( -0.561 1.557 -3.990) 4.320 2.172 ( -2.906 -2.391 3.165) 4.917 2.198 ( -2.403 -0.163 0.247) 2.421 2.237 ( 1.261 4.066 -1.093) 4.395 2.282 ( 4.090 4.348 1.474) 6.149 2.432 ( 1.676 -2.138 3.056) 4.089 2.477 ( -1.357 0.009 -2.283) 2.656 2.621 ( -1.356 0.978 -2.346) 2.881 2.737 ( 0.141 -1.779 -0.304) 1.810 2.776 ( 3.899 -4.393 -0.249) 5.879 2.912 ( 5.575 -2.292 -2.331) 6.462 2.952 ( 2.196 1.297 -0.589) 2.618 3.018 ( 2.786 -4.248 -0.865) 5.154 3.310 ( -2.175 -5.335 0.817) 5.819 3.372 ( -1.834 -0.891 2.269) 3.051 3.785 ( 0.226 0.880 -0.289) 0.954 3.825 ( 0.489 -0.869 0.932) 1.365 3.856 ( -1.063 0.642 0.329) 1.284 3.909 ( -3.587 -4.730 -1.613) 6.152 3.934 ( 0.599 -0.363 0.434) 0.825 3.996 ( 0.549 -0.265 0.495) 0.785 4.045 ( 2.257 -0.719 1.321) 2.712 4.069 ( -0.239 1.900 1.132) 2.225 4.134 ( -2.378 2.958 -0.582) 3.840 4.193 ( 0.357 -0.192 3.034) 3.061 4.259 ( -1.187 -0.314 -0.776) 1.452 4.268 ( 1.059 0.854 0.415) 1.423 4.308 ( 1.136 -1.885 -0.748) 2.324 4.330 ( 0.668 -0.436 -0.489) 0.936 4.413 ( 1.153 -0.027 -0.730) 1.365 4.477 ( -0.868 -1.819 0.667) 2.123 4.527 ( 0.478 -0.831 -2.354) 2.541 4.645 ( 1.700 -1.972 -0.503) 2.652 4.691 ( -2.660 -3.095 3.193) 5.182 4.717 ( 0.551 -2.239 2.035) 3.075 4.835 ( 1.596 -1.398 -1.313) 2.495 4.895 ( 0.303 -0.482 -2.817) 2.874 4.977 ( -4.333 -2.513 0.121) 5.010 4.998 ( -0.976 -1.709 1.328) 2.375 5.045 ( 3.390 0.497 0.654) 3.488 5.065 ( 1.979 -0.372 0.158) 2.020 5.150 ( 0.711 2.358 0.515) 2.516 5.165 ( 1.311 2.802 1.305) 3.358 5.339 ( -5.726 1.250 0.520) 5.883 5.373 ( -5.848 1.099 -0.564) 5.977 5.512 ( 0.745 -2.655 2.005) 3.410 5.611 ( 3.078 -0.507 -2.709) 4.132 5.755 ( 0.060 -1.499 -6.573) 6.742 5.835 ( 9.169 2.357 4.150) 10.337 5.984 ( -0.125 2.075 5.709) 6.076 6.188 ( 4.083 -1.257 -4.922) 6.518 ======================= Grid point 4 (5/95) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.000 0.000 0.000) 0.000 1.426 ( -0.000 0.000 0.000) 0.000 1.499 ( -0.000 -0.000 0.000) 0.000 1.503 ( 0.000 0.000 -0.000) 0.000 1.765 ( -0.000 0.000 -0.000) 0.000 1.875 ( -0.000 -0.000 -0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.999 ( -0.000 0.000 0.000) 0.000 2.061 ( -0.000 0.000 0.000) 0.000 2.137 ( -0.000 0.000 0.000) 0.000 2.170 ( -0.000 -0.000 0.000) 0.000 2.239 ( -0.000 -0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.310 ( -0.000 -0.000 0.000) 0.000 2.375 ( -0.000 0.000 0.000) 0.000 2.505 ( -0.000 0.000 0.000) 0.000 2.633 ( -0.000 -0.000 0.000) 0.000 2.693 ( -0.000 0.000 0.000) 0.000 2.749 ( -0.000 0.000 -0.000) 0.000 2.800 ( -0.000 0.000 0.000) 0.000 2.950 ( -0.000 0.000 -0.000) 0.000 2.963 ( -0.000 0.000 0.000) 0.000 3.296 ( -0.000 -0.000 0.000) 0.000 3.390 ( -0.000 0.000 0.000) 0.000 3.789 ( -0.000 0.000 -0.000) 0.000 3.817 ( -0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.891 ( -0.000 -0.000 -0.000) 0.000 3.921 ( -0.000 0.000 0.000) 0.000 3.992 ( -0.000 0.000 0.000) 0.000 4.025 ( -0.000 0.000 0.000) 0.000 4.079 ( -0.000 0.000 0.000) 0.000 4.187 ( -0.000 0.000 -0.000) 0.000 4.211 ( -0.000 0.000 -0.000) 0.000 4.242 ( -0.000 0.000 -0.000) 0.000 4.262 ( -0.000 -0.000 0.000) 0.000 4.292 ( -0.000 -0.000 0.000) 0.000 4.319 ( -0.000 0.000 0.000) 0.000 4.403 ( -0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.510 ( -0.000 -0.000 0.000) 0.000 4.617 ( -0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 -0.000) 0.000 4.706 ( -0.000 -0.000 0.000) 0.000 4.812 ( -0.000 0.000 0.000) 0.000 4.882 ( -0.000 0.000 0.000) 0.000 4.991 ( -0.000 0.000 -0.000) 0.000 5.000 ( -0.000 -0.000 0.000) 0.000 5.028 ( -0.000 0.000 0.000) 0.000 5.047 ( -0.000 -0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.166 ( -0.000 0.000 -0.000) 0.000 5.406 ( -0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.492 ( -0.000 0.000 -0.000) 0.000 5.555 ( -0.000 0.000 0.000) 0.000 5.743 ( -0.000 0.000 -0.000) 0.000 5.748 ( -0.000 0.000 0.000) 0.000 6.075 ( -0.000 0.000 0.000) 0.000 6.082 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( 0.000 0.000 17.820) 17.820 0.240 ( 0.000 0.000 22.804) 22.804 0.385 ( 0.000 0.000 36.516) 36.516 1.025 ( -0.000 -0.000 -4.849) 4.849 1.528 ( -0.000 -0.000 -13.501) 13.501 1.741 ( -0.000 -0.000 -2.321) 2.321 1.795 ( 0.000 0.000 0.940) 0.940 1.954 ( 0.000 0.000 12.109) 12.109 1.976 ( 0.000 0.000 1.850) 1.850 2.127 ( -0.000 -0.000 -5.555) 5.555 2.130 ( -0.000 -0.000 -0.487) 0.487 2.231 ( 0.000 0.000 0.006) 0.006 2.241 ( -0.000 -0.000 -0.279) 0.279 2.306 ( 0.000 0.000 3.485) 3.485 2.385 ( 0.000 0.000 2.870) 2.870 2.400 ( -0.000 -0.000 -13.344) 13.344 2.642 ( -0.000 -0.000 -1.149) 1.149 2.923 ( -0.000 -0.000 -9.108) 9.108 2.936 ( 0.000 0.000 2.003) 2.003 2.970 ( 0.000 0.000 9.845) 9.845 3.128 ( -0.000 -0.000 -0.972) 0.972 3.225 ( 0.000 0.000 0.357) 0.357 3.258 ( 0.000 0.000 1.854) 1.854 3.269 ( -0.000 -0.000 -0.299) 0.299 3.706 ( 0.000 0.000 0.513) 0.513 3.786 ( -0.000 -0.000 -0.479) 0.479 3.855 ( 0.000 0.000 1.402) 1.402 3.907 ( -0.000 -0.000 -0.363) 0.363 3.934 ( 0.000 0.000 1.199) 1.199 4.029 ( -0.000 -0.000 -0.284) 0.284 4.033 ( 0.000 0.000 0.884) 0.884 4.081 ( -0.000 -0.000 -0.080) 0.080 4.088 ( -0.000 -0.000 -0.318) 0.318 4.165 ( -0.000 -0.000 -1.875) 1.875 4.172 ( 0.000 0.000 4.061) 4.061 4.369 ( 0.000 0.000 0.694) 0.694 4.410 ( -0.000 -0.000 -0.052) 0.052 4.433 ( 0.000 0.000 0.478) 0.478 4.567 ( -0.000 -0.000 -0.105) 0.105 4.631 ( -0.000 -0.000 -2.510) 2.510 4.657 ( 0.000 0.000 1.534) 1.534 4.663 ( 0.000 0.000 1.336) 1.336 4.763 ( -0.000 -0.000 -1.532) 1.532 4.840 ( 0.000 0.000 1.509) 1.509 4.857 ( -0.000 -0.000 -2.070) 2.070 4.915 ( -0.000 -0.000 -0.294) 0.294 4.943 ( -0.000 -0.000 -4.806) 4.806 4.992 ( -0.000 -0.000 -5.756) 5.756 5.008 ( 0.000 0.000 1.344) 1.344 5.072 ( -0.000 -0.000 -0.199) 0.199 5.111 ( 0.000 0.000 3.952) 3.952 5.127 ( 0.000 0.000 4.786) 4.786 5.256 ( 0.000 0.000 2.404) 2.404 5.322 ( 0.000 0.000 0.713) 0.713 5.523 ( 0.000 0.000 0.192) 0.192 5.589 ( -0.000 -0.000 -0.481) 0.481 5.676 ( 0.000 0.000 0.853) 0.853 5.945 ( -0.000 -0.000 -6.375) 6.375 6.185 ( 0.000 0.000 6.051) 6.051 6.434 ( -0.000 -0.000 -0.628) 0.628 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -12.534 9.715 12.883) 20.431 0.567 ( -11.720 18.138 10.239) 23.900 0.811 ( -19.163 8.869 24.297) 32.191 1.100 ( -2.608 13.839 -6.599) 15.552 1.486 ( -3.968 0.242 -16.624) 17.093 1.728 ( -0.320 -1.921 0.656) 2.055 1.788 ( 0.076 -0.173 1.069) 1.086 1.977 ( 0.543 0.641 4.503) 4.580 2.037 ( -2.927 -1.441 5.498) 6.394 2.095 ( -1.303 -1.943 -2.971) 3.782 2.142 ( 1.172 3.560 -1.443) 4.017 2.207 ( 1.128 -2.162 -0.734) 2.546 2.247 ( 0.202 0.545 -0.091) 0.589 2.335 ( 1.264 2.750 -2.148) 3.711 2.351 ( -1.139 2.903 -10.305) 10.767 2.413 ( -1.624 -0.422 6.487) 6.701 2.633 ( -0.996 -1.914 -0.919) 2.345 2.836 ( 2.161 -2.146 -9.321) 9.806 2.940 ( 3.771 1.211 0.949) 4.073 2.994 ( 1.161 -1.019 5.083) 5.313 3.096 ( 6.218 2.254 1.752) 6.842 3.161 ( 1.166 0.359 -0.625) 1.370 3.281 ( -4.112 -3.089 1.272) 5.298 3.372 ( -6.475 -5.363 -0.448) 8.419 3.738 ( -3.407 0.119 0.613) 3.464 3.825 ( 0.312 -0.823 0.077) 0.884 3.833 ( -1.404 -0.630 0.188) 1.551 3.892 ( -1.927 -2.877 0.091) 3.464 3.956 ( -0.692 -1.062 0.076) 1.270 4.027 ( 0.051 -0.614 -0.790) 1.001 4.044 ( 0.162 0.437 -0.044) 0.469 4.058 ( -0.513 -0.724 0.218) 0.913 4.126 ( 0.558 2.122 1.078) 2.445 4.174 ( -2.350 0.662 -1.516) 2.874 4.201 ( 0.307 0.830 5.510) 5.581 4.366 ( 0.206 -1.201 0.608) 1.362 4.372 ( 2.090 -1.753 0.996) 2.903 4.413 ( 9.748 -1.024 6.895) 11.984 4.442 ( 1.650 0.238 1.929) 2.550 4.540 ( 1.587 -2.117 -0.236) 2.656 4.597 ( 2.605 0.112 -2.974) 3.955 4.670 ( -2.547 -3.522 2.051) 4.806 4.769 ( 0.922 -2.935 1.089) 3.263 4.826 ( 1.022 -2.008 -0.189) 2.261 4.844 ( -3.523 -0.761 0.369) 3.623 4.904 ( -2.967 -4.376 -2.005) 5.654 4.921 ( 0.095 -0.165 -4.366) 4.370 4.997 ( -2.651 -2.437 -1.211) 3.799 5.061 ( -1.425 2.475 -1.008) 3.029 5.087 ( -0.428 1.841 -0.078) 1.892 5.132 ( -0.029 0.196 3.121) 3.127 5.155 ( -0.396 1.301 2.006) 2.424 5.241 ( 2.237 -1.410 2.932) 3.948 5.296 ( 1.783 -0.738 0.007) 1.930 5.584 ( 0.036 -0.556 -0.438) 0.709 5.645 ( -2.148 -0.585 -3.001) 3.737 5.723 ( -3.891 4.182 -0.924) 5.787 5.891 ( 2.511 0.455 -6.284) 6.782 6.171 ( 6.742 1.287 5.905) 9.054 6.341 ( 6.329 0.162 -0.031) 6.331 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -12.205 8.007 7.866) 16.581 0.990 ( -11.967 15.485 7.475) 20.949 1.257 ( -8.652 8.330 2.566) 12.281 1.347 ( -10.661 16.372 5.238) 20.227 1.473 ( -3.317 4.106 -13.333) 14.340 1.736 ( -4.044 -3.361 1.237) 5.402 1.829 ( -3.286 2.258 2.126) 4.518 1.996 ( 1.222 0.798 1.583) 2.153 2.043 ( -1.447 -2.022 -1.211) 2.766 2.123 ( 1.057 -2.554 -2.707) 3.869 2.140 ( -3.327 0.043 2.999) 4.479 2.192 ( -0.045 2.439 -0.615) 2.516 2.218 ( 1.331 -1.563 0.621) 2.145 2.321 ( 4.131 3.282 0.731) 5.326 2.375 ( -2.324 4.734 -8.751) 10.217 2.473 ( -0.833 -0.142 4.888) 4.960 2.622 ( -0.920 -2.393 0.513) 2.614 2.743 ( 0.152 -2.024 -6.777) 7.074 2.869 ( 4.403 -1.976 -0.532) 4.855 2.973 ( 3.133 0.243 1.674) 3.560 3.023 ( 5.464 -0.527 0.449) 5.508 3.105 ( 2.888 -3.338 -1.770) 4.755 3.325 ( -3.608 -3.341 2.474) 5.505 3.382 ( -2.964 -4.937 1.561) 5.967 3.788 ( 0.064 0.224 0.708) 0.746 3.817 ( -3.682 -1.649 0.787) 4.110 3.847 ( 0.500 0.461 0.478) 0.831 3.898 ( -4.178 -5.201 -1.099) 6.761 3.946 ( 0.541 -0.477 0.358) 0.805 4.001 ( 0.720 -0.430 -1.628) 1.832 4.048 ( -0.922 -0.072 0.101) 0.930 4.080 ( -0.501 2.231 0.052) 2.287 4.122 ( 2.961 0.317 3.494) 4.590 4.216 ( -1.086 0.027 2.775) 2.980 4.228 ( -0.848 0.352 1.365) 1.645 4.306 ( 3.524 -1.337 1.291) 3.984 4.339 ( 0.925 -1.532 -0.309) 1.816 4.356 ( 2.292 0.064 0.679) 2.391 4.424 ( 1.611 0.731 -0.275) 1.790 4.500 ( 0.058 -2.771 0.940) 2.927 4.542 ( 1.718 -0.883 -2.506) 3.164 4.690 ( -2.919 -3.471 1.913) 4.922 4.709 ( 0.922 -4.090 0.170) 4.196 4.772 ( 1.368 -3.181 0.676) 3.528 4.865 ( 0.103 -2.035 -2.084) 2.915 4.893 ( 0.940 -0.073 -1.958) 2.173 4.922 ( -4.952 -1.497 0.062) 5.173 5.008 ( -2.458 -2.833 0.043) 3.751 5.087 ( 2.242 2.685 0.608) 3.551 5.105 ( 1.804 1.770 0.065) 2.529 5.155 ( -0.021 1.400 1.590) 2.119 5.164 ( 2.343 -0.274 2.692) 3.579 5.242 ( -3.680 0.737 0.853) 3.849 5.290 ( -3.146 -0.338 -0.619) 3.224 5.563 ( 0.514 -2.471 1.231) 2.808 5.630 ( 1.138 -0.183 -2.277) 2.552 5.766 ( 1.616 -0.616 -4.462) 4.785 5.869 ( -1.157 3.160 0.976) 3.504 6.079 ( 9.974 1.864 4.635) 11.155 6.242 ( 5.738 0.218 -3.905) 6.944 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -6.599 5.619 4.261) 9.658 1.333 ( -7.787 10.207 2.342) 13.050 1.408 ( -5.710 1.300 1.400) 6.021 1.456 ( 0.368 7.195 -7.345) 10.288 1.728 ( -9.306 7.327 0.489) 11.854 1.779 ( -2.468 -0.630 3.773) 4.552 1.937 ( -4.493 0.934 -1.553) 4.845 1.950 ( 4.789 -2.335 -0.785) 5.385 2.056 ( -0.899 3.081 -0.220) 3.217 2.089 ( -4.053 -2.085 2.131) 5.032 2.189 ( -2.647 -1.511 0.317) 3.064 2.211 ( -0.692 -0.205 1.172) 1.376 2.228 ( 0.556 5.242 -0.208) 5.275 2.309 ( 3.826 3.597 2.740) 5.924 2.406 ( -0.763 1.620 -5.991) 6.253 2.478 ( 0.936 1.183 1.154) 1.900 2.621 ( -0.487 -0.944 2.209) 2.451 2.729 ( -2.228 -1.602 -1.442) 3.100 2.763 ( 2.699 -4.088 -2.021) 5.299 2.891 ( 5.000 -5.532 -1.516) 7.609 2.949 ( 3.340 1.875 0.083) 3.831 3.008 ( 2.591 -3.421 -1.145) 4.442 3.322 ( -1.193 -4.755 1.245) 5.058 3.392 ( -0.935 -0.863 1.540) 1.998 3.787 ( 0.130 0.040 0.504) 0.522 3.833 ( -0.712 -2.475 0.693) 2.667 3.863 ( -0.388 1.914 0.777) 2.102 3.888 ( -3.010 -4.293 -2.200) 5.686 3.939 ( 0.841 0.113 0.492) 0.981 3.984 ( -0.668 -1.298 -2.058) 2.523 4.060 ( 0.857 0.210 1.026) 1.353 4.088 ( 2.521 0.437 1.570) 3.001 4.132 ( -1.786 3.219 0.115) 3.684 4.220 ( 0.635 -1.140 1.761) 2.192 4.257 ( -1.653 -0.662 1.325) 2.219 4.273 ( 1.591 1.207 0.431) 2.043 4.304 ( 1.443 -1.436 -0.090) 2.038 4.324 ( 0.609 -0.240 -0.588) 0.880 4.412 ( 1.230 0.510 0.259) 1.357 4.483 ( 0.107 -0.940 0.234) 0.974 4.505 ( -0.132 -1.141 -1.662) 2.020 4.644 ( 1.555 -1.999 0.434) 2.569 4.710 ( -0.339 -1.450 0.041) 1.489 4.731 ( -1.198 -4.363 0.693) 4.578 4.825 ( 0.869 -1.138 -0.519) 1.524 4.874 ( 0.568 0.698 -0.856) 1.242 4.982 ( -5.323 -2.954 0.614) 6.119 5.006 ( -0.171 -1.289 0.090) 1.303 5.054 ( 4.196 0.109 1.011) 4.317 5.067 ( 1.832 -0.490 0.168) 1.904 5.156 ( 1.527 2.548 0.676) 3.046 5.175 ( 1.455 2.128 0.620) 2.651 5.346 ( -5.994 1.617 0.790) 6.259 5.367 ( -5.905 0.530 -0.593) 5.958 5.537 ( 0.119 -2.887 2.871) 4.074 5.585 ( 2.773 -0.222 -2.033) 3.446 5.687 ( 1.255 -1.799 -6.181) 6.559 5.890 ( 7.569 2.058 5.920) 9.828 6.032 ( -0.742 2.607 3.138) 4.147 6.127 ( 5.335 -0.359 -6.143) 8.144 ======================= Grid point 14 (10/95) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 2.027 0.776 1.848) 2.850 1.406 ( 4.864 4.263 -5.014) 8.184 1.437 ( 0.284 -0.259 -1.823) 1.863 1.586 ( -4.055 -2.404 7.160) 8.573 1.774 ( 1.197 -1.440 1.402) 2.339 1.829 ( -6.309 -2.736 -4.921) 8.456 1.898 ( 1.304 0.952 1.258) 2.047 1.988 ( -1.046 0.918 -1.664) 2.169 2.074 ( 1.695 2.179 2.011) 3.416 2.145 ( 0.845 -1.666 1.281) 2.265 2.168 ( -1.396 -2.947 -0.532) 3.304 2.249 ( -1.261 -1.533 1.620) 2.562 2.260 ( 5.749 3.532 -0.591) 6.773 2.294 ( -0.663 -2.757 -2.335) 3.673 2.388 ( 0.538 1.333 2.649) 3.014 2.482 ( 1.733 1.546 -4.142) 4.748 2.640 ( -1.936 1.935 1.032) 2.925 2.691 ( -0.030 0.113 -0.366) 0.384 2.748 ( 1.394 -3.786 0.234) 4.041 2.815 ( -6.092 -0.432 2.026) 6.434 2.943 ( 0.669 2.089 -1.087) 2.449 2.963 ( 0.009 0.676 -0.071) 0.679 3.297 ( 0.879 0.030 0.156) 0.893 3.389 ( 1.325 -0.120 -0.147) 1.338 3.790 ( -0.163 0.148 0.125) 0.253 3.821 ( -0.601 -2.159 0.712) 2.351 3.872 ( -0.991 -2.345 -1.758) 3.094 3.904 ( 0.304 3.945 1.066) 4.098 3.925 ( 0.893 -0.063 0.714) 1.145 3.971 ( -1.151 -1.034 -2.828) 3.224 4.038 ( 2.104 0.713 1.325) 2.587 4.084 ( -0.013 -0.224 0.786) 0.818 4.161 ( -0.427 0.303 -3.362) 3.402 4.220 ( 1.864 0.027 1.192) 2.213 4.246 ( 0.767 -0.423 0.933) 1.280 4.277 ( -0.871 -1.128 -0.199) 1.439 4.296 ( -0.177 0.559 2.179) 2.256 4.322 ( 0.120 0.697 0.247) 0.749 4.401 ( 0.222 0.388 -0.154) 0.473 4.474 ( 0.675 0.574 -0.415) 0.978 4.512 ( -1.504 0.789 0.264) 1.719 4.623 ( 0.145 0.109 0.980) 0.996 4.686 ( 2.112 1.545 -2.479) 3.605 4.700 ( -0.160 -2.529 -0.973) 2.714 4.817 ( -0.848 -0.636 0.701) 1.271 4.887 ( -0.557 1.382 0.741) 1.664 4.990 ( 1.342 0.740 -0.087) 1.535 5.008 ( 0.270 -0.905 1.438) 1.721 5.028 ( -0.505 -0.517 -0.039) 0.724 5.043 ( -0.673 -0.855 -0.769) 1.332 5.161 ( -0.196 -0.128 -0.417) 0.479 5.168 ( 0.854 -0.283 0.076) 0.903 5.405 ( 1.465 -0.008 -0.190) 1.477 5.448 ( -2.614 0.947 -0.223) 2.789 5.493 ( 5.098 -0.638 0.156) 5.140 5.565 ( -1.482 1.320 1.660) 2.587 5.680 ( -8.659 -2.510 -5.145) 10.380 5.827 ( 5.432 0.823 8.228) 9.894 6.005 ( 3.894 -1.014 -7.827) 8.801 6.128 ( -3.720 2.423 3.306) 5.535 ======================= Grid point 15 (11/95) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 10.014 -5.626 1.199) 11.548 1.207 ( 15.774 -3.412 -4.692) 16.807 1.418 ( 1.838 -4.380 1.031) 4.861 1.553 ( 1.439 -6.790 -0.271) 6.946 1.739 ( 4.381 -9.612 3.618) 11.166 1.837 ( 2.068 -2.137 4.590) 5.469 1.881 ( -2.477 -2.161 -4.069) 5.231 1.908 ( 4.046 -4.224 -2.303) 6.286 2.061 ( 2.277 2.040 -0.607) 3.117 2.096 ( 4.991 0.165 -1.769) 5.298 2.161 ( 0.504 3.452 0.858) 3.593 2.200 ( 0.033 -3.472 0.264) 3.482 2.244 ( -5.001 -3.800 0.101) 6.282 2.290 ( -0.626 -0.495 2.553) 2.675 2.384 ( 1.857 0.345 -4.431) 4.816 2.493 ( -1.242 5.073 0.599) 5.257 2.652 ( 1.578 -4.138 2.244) 4.965 2.741 ( -1.843 2.134 0.577) 2.878 2.770 ( -3.981 5.146 -1.026) 6.586 2.932 ( -6.160 -0.660 1.090) 6.291 2.957 ( -1.702 -0.321 0.318) 1.761 3.025 ( -3.029 5.098 0.357) 5.941 3.307 ( 2.499 6.227 0.247) 6.714 3.350 ( 3.052 0.489 -1.596) 3.479 3.794 ( -0.714 -1.846 1.344) 2.392 3.812 ( -1.024 -0.436 -1.524) 1.887 3.855 ( 1.527 0.615 0.007) 1.646 3.921 ( 2.649 3.544 0.757) 4.488 3.928 ( 1.150 1.814 -0.712) 2.263 3.980 ( -2.423 -0.662 -1.272) 2.816 4.043 ( -0.479 1.780 0.356) 1.878 4.062 ( 1.297 -2.434 -0.347) 2.780 4.143 ( 2.273 -2.590 1.117) 3.622 4.166 ( -0.335 -0.042 -1.982) 2.010 4.263 ( 0.169 -0.017 0.164) 0.236 4.266 ( -0.440 -0.942 -0.174) 1.054 4.317 ( 0.011 1.924 0.640) 2.028 4.331 ( -0.818 0.277 -0.193) 0.885 4.425 ( -1.900 0.571 1.091) 2.264 4.471 ( 1.096 1.602 -0.364) 1.975 4.550 ( -0.131 1.843 1.589) 2.437 4.653 ( 0.264 2.883 0.270) 2.907 4.658 ( 1.339 2.568 -1.574) 3.296 4.693 ( -1.497 0.730 -2.006) 2.607 4.849 ( -1.951 1.877 0.872) 2.844 4.920 ( 0.228 2.896 1.442) 3.243 4.980 ( 2.342 1.352 0.390) 2.732 4.984 ( 2.766 0.954 -1.022) 3.100 5.041 ( -2.891 -0.203 -0.172) 2.903 5.063 ( -1.563 0.150 -0.274) 1.594 5.146 ( -0.184 -2.382 -0.200) 2.397 5.153 ( -1.454 -3.128 -0.730) 3.526 5.335 ( 5.543 -0.857 -0.160) 5.612 5.378 ( 5.878 -1.685 0.245) 6.120 5.497 ( -1.165 2.566 -0.742) 2.914 5.635 ( -3.585 0.660 1.529) 3.953 5.786 ( -4.341 0.025 -1.165) 4.495 5.843 ( -4.169 -1.516 6.420) 7.804 5.917 ( -0.826 -1.384 -6.943) 7.127 6.224 ( -3.569 1.835 1.843) 4.416 ======================= Grid point 16 (12/95) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 14.377 -11.394 -0.000) 18.345 0.849 ( 20.568 -6.055 -0.000) 21.441 1.139 ( 16.745 -18.811 -0.000) 25.185 1.381 ( 3.037 -16.365 0.000) 16.644 1.657 ( -1.244 1.149 0.000) 1.694 1.759 ( 7.732 0.336 -0.000) 7.739 1.828 ( -0.675 -3.318 0.000) 3.386 1.866 ( 0.600 -2.255 0.000) 2.334 2.027 ( 3.692 1.193 -0.000) 3.880 2.083 ( 0.435 4.660 -0.000) 4.680 2.181 ( -2.181 -4.692 0.000) 5.174 2.193 ( 0.320 3.080 -0.000) 3.097 2.273 ( -1.385 -2.142 0.000) 2.551 2.324 ( -3.531 -1.134 0.000) 3.709 2.345 ( 2.239 1.638 -0.000) 2.775 2.570 ( 2.202 -5.066 0.000) 5.524 2.579 ( -2.050 3.728 -0.000) 4.255 2.816 ( -3.444 2.798 0.000) 4.437 2.858 ( -0.910 4.259 -0.000) 4.356 2.980 ( -3.840 -3.637 0.000) 5.289 3.007 ( -5.154 -1.413 0.000) 5.344 3.128 ( -2.792 3.365 -0.000) 4.373 3.298 ( 3.752 1.658 -0.000) 4.101 3.352 ( 4.043 9.353 -0.000) 10.189 3.792 ( -2.046 -2.357 0.000) 3.121 3.809 ( 5.566 1.058 -0.000) 5.666 3.830 ( -1.273 0.104 0.000) 1.277 3.913 ( 5.669 6.300 -0.000) 8.475 3.934 ( -1.225 0.139 0.000) 1.233 4.008 ( -2.799 -0.664 0.000) 2.877 4.028 ( -0.733 -1.119 0.000) 1.338 4.078 ( -0.684 1.351 -0.000) 1.515 4.087 ( 0.931 -3.302 0.000) 3.431 4.163 ( -0.086 -0.809 0.000) 0.813 4.234 ( 2.626 -0.129 -0.000) 2.629 4.291 ( -2.582 0.704 0.000) 2.676 4.342 ( -1.265 -2.104 0.000) 2.455 4.346 ( -0.341 1.743 -0.000) 1.776 4.463 ( 2.523 2.535 -0.000) 3.577 4.475 ( -3.344 0.463 0.000) 3.376 4.579 ( -0.759 2.175 -0.000) 2.304 4.646 ( 2.442 3.544 -0.000) 4.304 4.705 ( -1.084 2.419 -0.000) 2.650 4.750 ( -3.107 3.387 0.000) 4.596 4.889 ( 3.305 2.669 -0.000) 4.248 4.956 ( 4.064 4.194 -0.000) 5.840 4.961 ( -0.478 2.481 -0.000) 2.527 4.962 ( -0.147 1.951 -0.000) 1.956 5.067 ( 0.834 -0.770 -0.000) 1.134 5.088 ( -3.475 -1.305 0.000) 3.712 5.120 ( 0.130 -2.283 0.000) 2.286 5.160 ( -2.683 0.097 0.000) 2.684 5.227 ( 4.042 -4.059 -0.000) 5.728 5.297 ( 3.050 0.381 -0.000) 3.073 5.548 ( -2.165 1.769 0.000) 2.795 5.674 ( -1.605 -1.831 0.000) 2.435 5.786 ( 2.294 0.821 -0.000) 2.437 5.904 ( -3.036 0.405 0.000) 3.063 5.996 ( -10.774 -2.940 0.000) 11.168 6.295 ( -2.900 0.886 0.000) 3.033 ======================= Grid point 19 (13/95) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 0.000 17.056) 17.056 0.476 ( 0.000 0.000 22.300) 22.300 0.761 ( 0.000 0.000 35.286) 35.286 0.953 ( -0.000 -0.000 -8.733) 8.733 1.356 ( -0.000 -0.000 -18.300) 18.300 1.736 ( 0.000 0.000 0.749) 0.749 1.803 ( 0.000 0.000 0.227) 0.227 1.952 ( -0.000 -0.000 -10.270) 10.270 2.066 ( 0.000 0.000 7.862) 7.862 2.077 ( -0.000 -0.000 -3.430) 3.430 2.128 ( 0.000 0.000 1.326) 1.326 2.228 ( -0.000 -0.000 -1.880) 1.880 2.231 ( 0.000 0.000 0.005) 0.005 2.299 ( -0.000 -0.000 -1.811) 1.811 2.318 ( -0.000 -0.000 -0.904) 0.904 2.437 ( 0.000 0.000 6.330) 6.330 2.625 ( -0.000 -0.000 -2.144) 2.144 2.801 ( -0.000 -0.000 -13.673) 13.673 2.965 ( 0.000 0.000 3.463) 3.463 3.077 ( 0.000 0.000 9.743) 9.743 3.112 ( -0.000 -0.000 -2.022) 2.022 3.230 ( 0.000 0.000 0.656) 0.656 3.264 ( -0.000 -0.000 -0.583) 0.583 3.272 ( 0.000 0.000 0.416) 0.416 3.715 ( 0.000 0.000 1.097) 1.097 3.778 ( -0.000 -0.000 -1.009) 1.009 3.871 ( 0.000 0.000 1.396) 1.396 3.902 ( -0.000 -0.000 -0.555) 0.555 3.951 ( 0.000 0.000 2.063) 2.063 4.024 ( -0.000 -0.000 -0.599) 0.599 4.044 ( 0.000 0.000 1.183) 1.183 4.079 ( -0.000 -0.000 -0.282) 0.282 4.084 ( -0.000 -0.000 -0.381) 0.381 4.138 ( -0.000 -0.000 -2.917) 2.917 4.235 ( 0.000 0.000 7.859) 7.859 4.379 ( 0.000 0.000 1.207) 1.207 4.409 ( -0.000 -0.000 -0.207) 0.207 4.442 ( 0.000 0.000 1.243) 1.243 4.556 ( -0.000 -0.000 -2.429) 2.429 4.593 ( -0.000 -0.000 -4.507) 4.507 4.680 ( 0.000 0.000 2.745) 2.745 4.682 ( 0.000 0.000 2.221) 2.221 4.748 ( -0.000 -0.000 -1.122) 1.122 4.828 ( -0.000 -0.000 -3.225) 3.225 4.858 ( 0.000 0.000 1.810) 1.810 4.899 ( -0.000 -0.000 -3.228) 3.228 4.911 ( -0.000 -0.000 -0.571) 0.571 4.937 ( -0.000 -0.000 -4.597) 4.597 5.024 ( 0.000 0.000 1.575) 1.575 5.069 ( -0.000 -0.000 -0.476) 0.476 5.146 ( 0.000 0.000 2.616) 2.616 5.166 ( 0.000 0.000 2.609) 2.609 5.290 ( 0.000 0.000 3.707) 3.707 5.333 ( 0.000 0.000 1.307) 1.307 5.527 ( 0.000 0.000 0.578) 0.578 5.581 ( -0.000 -0.000 -1.011) 1.011 5.689 ( 0.000 0.000 1.762) 1.762 5.873 ( -0.000 -0.000 -6.998) 6.998 6.253 ( 0.000 0.000 6.491) 6.491 6.424 ( -0.000 -0.000 -1.492) 1.492 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -6.509 19.164 11.778) 23.417 0.708 ( -10.037 5.717 16.794) 20.383 1.015 ( -3.097 13.826 -8.989) 16.780 1.094 ( -14.122 4.850 28.136) 31.852 1.301 ( -4.148 1.148 -18.402) 18.899 1.737 ( -0.923 -2.014 0.568) 2.287 1.792 ( -1.609 -1.228 -0.923) 2.225 1.933 ( -2.976 3.436 -13.008) 13.779 2.053 ( 0.217 -1.293 -1.395) 1.915 2.098 ( -1.903 -0.711 0.054) 2.032 2.137 ( 1.918 1.179 2.175) 3.130 2.206 ( 0.752 -1.363 1.351) 2.061 2.253 ( -0.263 1.418 0.629) 1.573 2.285 ( 0.464 -0.190 0.849) 0.986 2.339 ( 1.360 3.602 1.362) 4.084 2.480 ( -1.380 -0.319 5.700) 5.873 2.618 ( -1.691 -1.533 -1.972) 3.016 2.714 ( 0.636 -0.870 -13.052) 13.096 2.958 ( 3.686 -0.654 2.450) 4.474 3.036 ( 2.021 -2.825 2.128) 4.073 3.114 ( 6.271 2.277 1.644) 6.871 3.154 ( 2.667 -0.253 -0.620) 2.749 3.300 ( -5.267 -2.330 2.291) 6.199 3.366 ( -6.044 -2.865 -0.758) 6.732 3.748 ( -3.215 0.009 1.312) 3.472 3.809 ( -3.668 -0.587 -1.942) 4.192 3.851 ( 1.378 -1.755 1.786) 2.858 3.893 ( -0.801 -1.299 0.082) 1.528 3.962 ( -0.453 -1.376 0.920) 1.716 4.015 ( 0.727 -0.542 -1.514) 1.765 4.044 ( -0.144 -1.286 -0.030) 1.294 4.060 ( -0.513 -0.023 0.222) 0.559 4.127 ( -0.429 2.237 -0.747) 2.397 4.158 ( -3.067 2.012 -1.239) 3.871 4.274 ( 1.191 0.211 7.691) 7.785 4.374 ( 0.474 -1.442 0.833) 1.732 4.382 ( 1.636 -2.162 0.903) 2.858 4.418 ( 2.345 -1.549 -0.647) 2.884 4.492 ( 6.320 -2.752 0.945) 6.958 4.542 ( -0.571 -2.223 -0.618) 2.377 4.577 ( 6.655 1.868 1.875) 7.162 4.685 ( -2.393 -3.343 0.585) 4.152 4.765 ( -0.118 -3.742 -1.505) 4.035 4.824 ( 1.405 -1.089 -0.118) 1.781 4.849 ( -2.493 0.629 0.378) 2.598 4.887 ( -2.341 -4.065 -0.887) 4.774 4.892 ( 0.491 1.100 -1.070) 1.611 4.973 ( -3.969 -1.112 -2.957) 5.073 5.060 ( -0.530 3.209 0.612) 3.310 5.085 ( -0.770 1.873 -0.376) 2.060 5.156 ( -0.050 -0.061 1.767) 1.769 5.176 ( -0.713 -0.276 1.481) 1.666 5.273 ( 1.965 -2.076 2.697) 3.930 5.299 ( 2.634 -1.082 0.616) 2.913 5.575 ( -1.771 -1.363 -1.182) 2.528 5.623 ( -2.863 0.434 -0.992) 3.061 5.724 ( -1.753 3.489 0.719) 3.970 5.828 ( 1.380 1.227 -5.422) 5.728 6.231 ( 7.331 0.970 5.324) 9.112 6.335 ( 7.826 0.123 -1.217) 7.921 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -8.242 7.288 11.204) 15.703 1.065 ( -8.941 16.702 6.881) 20.155 1.217 ( -5.504 15.807 -6.307) 17.887 1.304 ( -3.335 4.416 -13.857) 14.921 1.512 ( -14.392 4.619 16.597) 22.448 1.751 ( -4.978 -3.019 0.618) 5.855 1.840 ( -4.939 0.760 0.282) 5.005 1.956 ( -1.983 3.145 -8.069) 8.885 2.033 ( 0.897 -0.944 -1.459) 1.956 2.114 ( -1.374 -2.298 -0.787) 2.791 2.125 ( -2.025 1.108 -1.916) 3.000 2.194 ( 2.244 1.837 1.120) 3.109 2.245 ( 1.261 -1.398 2.288) 2.963 2.305 ( 0.205 3.811 -2.627) 4.633 2.359 ( 2.409 2.421 4.657) 5.775 2.503 ( 1.540 0.929 0.254) 1.816 2.626 ( -2.543 -1.785 0.063) 3.108 2.669 ( -3.419 -0.864 -5.922) 6.892 2.866 ( 5.339 -3.193 -0.136) 6.223 2.993 ( 3.346 -0.879 1.708) 3.858 3.026 ( 5.629 -1.383 0.143) 5.798 3.087 ( 2.996 -3.201 -1.633) 4.679 3.351 ( -3.076 -3.874 2.078) 5.365 3.393 ( -2.715 -2.889 0.527) 3.999 3.798 ( -0.681 -0.350 1.013) 1.270 3.827 ( -2.535 -1.784 0.921) 3.234 3.846 ( -1.444 -0.516 -0.657) 1.668 3.890 ( -2.176 -4.051 -0.387) 4.615 3.949 ( 0.699 -0.439 0.470) 0.950 3.982 ( 0.612 -0.517 -1.942) 2.101 4.050 ( -1.274 -0.005 0.444) 1.349 4.076 ( -0.624 1.290 -0.682) 1.587 4.142 ( 0.556 0.579 0.434) 0.912 4.227 ( -3.625 0.391 0.735) 3.719 4.265 ( 2.398 -1.056 3.478) 4.355 4.320 ( 4.134 -1.409 1.279) 4.551 4.336 ( 0.929 -2.167 -0.205) 2.367 4.361 ( 3.326 -0.381 0.207) 3.354 4.431 ( 1.917 0.601 1.193) 2.337 4.511 ( 3.910 0.981 -0.026) 4.032 4.519 ( -1.107 -3.768 -0.534) 3.963 4.696 ( -0.504 -1.690 -0.319) 1.792 4.710 ( -1.410 -4.576 -0.296) 4.798 4.772 ( 0.500 -3.786 -0.260) 3.828 4.848 ( 0.259 -1.938 -0.841) 2.129 4.884 ( 1.258 0.684 -0.119) 1.437 4.930 ( -4.396 -1.239 1.230) 4.730 4.999 ( -2.728 -1.672 -1.390) 3.488 5.095 ( 1.861 2.797 0.783) 3.450 5.104 ( 1.826 2.169 -0.169) 2.840 5.163 ( 1.465 2.036 0.593) 2.577 5.196 ( 1.487 -0.842 2.334) 2.892 5.249 ( -3.831 -1.038 0.549) 4.007 5.283 ( -2.981 -0.220 -0.605) 3.050 5.573 ( -2.003 -3.733 0.448) 4.260 5.618 ( 1.924 -0.266 0.271) 1.961 5.716 ( 3.045 -0.544 -4.454) 5.423 5.882 ( -3.667 4.475 1.110) 5.891 6.124 ( 10.342 1.531 3.836) 11.137 6.202 ( 8.177 0.781 -3.626) 8.979 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -4.037 4.707 4.400) 7.604 1.338 ( -3.409 7.932 -0.818) 8.672 1.355 ( -1.187 8.902 -5.491) 10.526 1.461 ( -9.272 8.892 2.404) 13.070 1.722 ( -9.581 -5.067 -0.450) 10.847 1.846 ( -1.218 3.070 6.946) 7.691 1.907 ( -2.599 1.249 -2.951) 4.126 1.923 ( 4.461 -2.559 -3.786) 6.386 2.079 ( -3.371 2.073 3.229) 5.107 2.102 ( -4.865 -1.600 -0.466) 5.143 2.192 ( -2.000 -0.561 0.259) 2.093 2.206 ( -0.670 2.786 -1.104) 3.071 2.241 ( -1.020 3.703 1.705) 4.202 2.316 ( 3.281 3.543 -1.754) 5.137 2.363 ( 0.969 3.231 -0.899) 3.491 2.481 ( 2.406 1.051 -0.260) 2.638 2.659 ( -0.831 -0.889 4.481) 4.643 2.703 ( -2.307 -1.109 -3.556) 4.382 2.744 ( 0.250 -4.670 -1.195) 4.827 2.881 ( 4.867 -6.995 -0.395) 8.531 2.953 ( 4.451 2.003 0.496) 4.906 2.996 ( 2.217 -3.145 -0.781) 3.926 3.332 ( -0.495 -4.430 0.542) 4.490 3.403 ( -0.485 -0.829 0.525) 1.094 3.792 ( 0.334 -0.421 0.321) 0.626 3.843 ( -1.772 -2.888 1.346) 3.646 3.862 ( -2.577 -3.393 -1.710) 4.591 3.873 ( 0.279 1.683 0.127) 1.710 3.945 ( 0.504 0.271 0.835) 1.012 3.963 ( -0.299 -1.373 -1.750) 2.245 4.072 ( 0.239 0.338 1.411) 1.470 4.089 ( 0.543 0.490 -1.051) 1.281 4.130 ( 0.632 0.917 -0.380) 1.176 4.243 ( 1.077 -0.996 2.650) 3.029 4.265 ( -0.131 -0.735 -1.079) 1.312 4.283 ( 0.421 1.546 1.458) 2.166 4.304 ( -0.076 -2.048 0.069) 2.050 4.318 ( 1.624 1.276 -0.488) 2.122 4.415 ( 1.870 0.473 0.277) 1.949 4.481 ( 1.744 1.227 -0.326) 2.157 4.495 ( -1.486 -2.986 -0.329) 3.351 4.652 ( 0.905 -2.628 0.785) 2.888 4.698 ( 1.698 0.524 -1.459) 2.299 4.734 ( -1.524 -5.055 -0.007) 5.280 4.825 ( -0.132 -1.481 0.304) 1.517 4.872 ( 0.487 0.699 0.111) 0.859 4.988 ( -5.623 -3.163 0.476) 6.469 5.003 ( 0.096 -0.354 -0.410) 0.550 5.064 ( 3.374 -0.711 0.654) 3.509 5.068 ( 2.851 -0.284 -0.025) 2.865 5.163 ( 2.520 3.195 0.439) 4.092 5.178 ( 1.202 1.163 -0.032) 1.673 5.354 ( -6.106 1.361 0.736) 6.299 5.361 ( -6.048 0.666 -0.581) 6.112 5.564 ( -1.663 -3.366 0.591) 3.801 5.577 ( 4.049 0.791 2.007) 4.588 5.629 ( 1.735 -2.642 -4.518) 5.514 5.955 ( 4.467 2.001 6.188) 7.890 6.029 ( 4.141 1.612 -4.425) 6.271 6.084 ( 3.224 1.580 -0.876) 3.695 ======================= Grid point 23 (17/95) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 2.968 1.029 -0.000) 3.141 1.370 ( 6.409 4.530 -0.000) 7.849 1.432 ( -1.983 -0.162 0.000) 1.990 1.630 ( -1.115 -1.655 0.000) 1.995 1.789 ( -0.309 0.301 0.000) 0.431 1.790 ( -7.218 -5.782 0.000) 9.248 1.905 ( 0.356 0.733 -0.000) 0.814 1.976 ( -1.373 1.011 0.000) 1.705 2.088 ( 2.132 2.921 -0.000) 3.617 2.158 ( -1.940 -3.540 0.000) 4.037 2.159 ( 2.422 -0.980 -0.000) 2.613 2.251 ( 1.972 -3.970 0.000) 4.433 2.270 ( 0.623 4.823 -0.000) 4.863 2.273 ( 1.235 -3.867 0.000) 4.059 2.427 ( -0.480 5.068 -0.000) 5.091 2.433 ( 3.758 -0.669 -0.000) 3.817 2.646 ( -2.664 2.078 0.000) 3.379 2.688 ( 0.235 0.755 -0.000) 0.791 2.751 ( 1.278 -5.622 0.000) 5.765 2.828 ( -8.505 -0.696 0.000) 8.533 2.935 ( 1.522 3.190 -0.000) 3.534 2.962 ( 0.010 0.994 -0.000) 0.994 3.298 ( 1.197 0.058 -0.000) 1.198 3.388 ( 1.905 -0.177 -0.000) 1.913 3.791 ( -0.247 0.280 -0.000) 0.374 3.827 ( -1.055 -4.072 0.000) 4.207 3.860 ( -0.825 -0.734 0.000) 1.104 3.910 ( 0.630 4.456 -0.000) 4.500 3.933 ( 0.220 -1.711 0.000) 1.725 3.950 ( -0.326 0.149 0.000) 0.358 4.045 ( 2.213 0.537 -0.000) 2.278 4.091 ( 0.054 -0.521 0.000) 0.523 4.139 ( -0.828 0.578 0.000) 1.009 4.228 ( 3.457 0.236 -0.000) 3.465 4.256 ( 0.320 -0.815 0.000) 0.876 4.267 ( -0.904 -0.879 0.000) 1.261 4.317 ( -0.601 -0.462 0.000) 0.758 4.318 ( 0.493 1.439 -0.000) 1.522 4.401 ( -0.096 0.464 -0.000) 0.473 4.471 ( 0.737 0.643 -0.000) 0.978 4.514 ( -1.797 1.713 0.000) 2.483 4.631 ( -0.024 0.015 0.000) 0.028 4.669 ( 2.738 1.650 -0.000) 3.197 4.693 ( 0.098 -3.163 0.000) 3.165 4.822 ( -1.067 -0.824 0.000) 1.349 4.892 ( -0.641 1.855 -0.000) 1.962 4.990 ( 1.244 0.896 -0.000) 1.533 5.022 ( 2.361 -0.213 -0.000) 2.371 5.026 ( 0.461 -0.708 0.000) 0.844 5.036 ( -3.610 -2.092 0.000) 4.173 5.159 ( 0.171 -0.171 -0.000) 0.242 5.168 ( 0.832 -0.406 -0.000) 0.926 5.403 ( 2.045 0.062 -0.000) 2.046 5.446 ( -3.367 1.182 0.000) 3.568 5.494 ( 6.510 -0.777 -0.000) 6.556 5.578 ( -0.086 2.762 -0.000) 2.763 5.649 ( -11.153 -3.832 0.000) 11.793 5.906 ( 5.128 0.345 -0.000) 5.139 5.928 ( 3.837 -0.474 -0.000) 3.866 6.146 ( -3.741 2.641 0.000) 4.580 ======================= Grid point 28 (18/95) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 15.759) 15.759 0.701 ( 0.000 0.000 19.684) 19.684 0.850 ( -0.000 -0.000 -9.709) 9.709 1.121 ( 0.000 0.000 33.334) 33.334 1.155 ( -0.000 -0.000 -19.978) 19.978 1.751 ( 0.000 0.000 1.887) 1.887 1.752 ( -0.000 -0.000 -25.373) 25.373 1.795 ( -0.000 -0.000 -1.576) 1.576 2.059 ( -0.000 -0.000 -0.069) 0.069 2.087 ( -0.000 -0.000 -1.287) 1.287 2.186 ( 0.000 0.000 7.249) 7.249 2.226 ( 0.000 0.000 0.585) 0.585 2.231 ( -0.000 -0.000 -0.030) 0.030 2.296 ( -0.000 -0.000 -3.132) 3.132 2.352 ( 0.000 0.000 10.322) 10.322 2.503 ( 0.000 0.000 5.863) 5.863 2.597 ( -0.000 -0.000 -3.184) 3.184 2.647 ( -0.000 -0.000 -15.355) 15.355 3.006 ( 0.000 0.000 4.110) 4.110 3.085 ( -0.000 -0.000 -3.092) 3.092 3.167 ( 0.000 0.000 7.294) 7.294 3.238 ( 0.000 0.000 0.850) 0.850 3.257 ( -0.000 -0.000 -0.804) 0.804 3.264 ( -0.000 -0.000 -2.029) 2.029 3.729 ( 0.000 0.000 1.615) 1.615 3.765 ( -0.000 -0.000 -1.529) 1.529 3.883 ( 0.000 0.000 0.869) 0.869 3.896 ( -0.000 -0.000 -0.576) 0.576 3.975 ( 0.000 0.000 2.393) 2.393 4.016 ( -0.000 -0.000 -1.170) 1.170 4.056 ( 0.000 0.000 1.103) 1.103 4.074 ( -0.000 -0.000 -0.582) 0.582 4.082 ( 0.000 0.000 0.055) 0.055 4.108 ( -0.000 -0.000 -2.592) 2.592 4.327 ( 0.000 0.000 9.090) 9.090 4.394 ( 0.000 0.000 1.759) 1.759 4.405 ( -0.000 -0.000 -0.624) 0.624 4.461 ( 0.000 0.000 2.479) 2.479 4.512 ( -0.000 -0.000 -5.897) 5.897 4.542 ( -0.000 -0.000 -4.971) 4.971 4.706 ( 0.000 0.000 2.290) 2.290 4.713 ( 0.000 0.000 3.503) 3.503 4.739 ( -0.000 -0.000 -0.816) 0.816 4.792 ( -0.000 -0.000 -3.739) 3.739 4.877 ( 0.000 0.000 1.664) 1.664 4.878 ( -0.000 -0.000 -0.971) 0.971 4.898 ( -0.000 -0.000 -2.826) 2.826 4.903 ( -0.000 -0.000 -0.867) 0.867 5.040 ( 0.000 0.000 1.386) 1.386 5.062 ( -0.000 -0.000 -0.753) 0.753 5.167 ( 0.000 0.000 1.558) 1.558 5.182 ( 0.000 0.000 0.470) 0.470 5.326 ( 0.000 0.000 2.850) 2.850 5.346 ( 0.000 0.000 0.817) 0.817 5.536 ( 0.000 0.000 1.181) 1.181 5.568 ( -0.000 -0.000 -1.497) 1.497 5.713 ( 0.000 0.000 2.875) 2.875 5.804 ( -0.000 -0.000 -5.939) 5.939 6.316 ( 0.000 0.000 5.502) 5.502 6.402 ( -0.000 -0.000 -2.683) 2.683 ======================= Grid point 29 (19/95) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -4.891 17.831 11.372) 21.707 0.878 ( -5.489 10.081 5.723) 12.826 0.927 ( -5.068 8.187 1.812) 9.797 1.106 ( -5.283 2.218 -18.431) 19.301 1.390 ( -10.146 2.156 27.759) 29.634 1.656 ( -6.021 -1.332 -20.696) 21.595 1.782 ( -2.386 0.266 1.472) 2.816 1.815 ( -2.043 2.947 -5.108) 6.240 2.051 ( 1.141 -0.114 1.036) 1.546 2.077 ( 0.842 1.256 -2.349) 2.793 2.168 ( 0.820 -3.704 1.825) 4.210 2.223 ( -0.314 -1.731 1.203) 2.131 2.260 ( 0.858 3.707 1.236) 4.001 2.288 ( 1.366 1.370 -1.331) 2.348 2.408 ( 1.283 0.925 10.861) 10.976 2.513 ( 1.736 0.157 -2.893) 3.377 2.585 ( -3.123 -1.635 -5.166) 6.255 2.599 ( -2.594 -0.187 -3.922) 4.706 2.983 ( 4.151 -2.931 1.662) 5.347 3.042 ( 1.354 -0.791 -0.342) 1.605 3.128 ( 6.501 0.366 0.891) 6.572 3.149 ( 3.880 -0.269 -0.337) 3.904 3.326 ( -5.879 -1.959 2.327) 6.619 3.354 ( -5.821 -1.477 -1.579) 6.209 3.765 ( -3.252 -0.215 1.920) 3.782 3.787 ( -3.590 -0.374 -2.144) 4.198 3.864 ( 0.842 -2.335 0.642) 2.564 3.893 ( -0.611 -0.599 0.046) 0.857 3.976 ( 0.465 -1.176 1.707) 2.124 3.996 ( 1.028 -0.818 -1.941) 2.343 4.044 ( -0.602 -2.056 -0.028) 2.142 4.062 ( -0.364 -0.030 0.134) 0.389 4.118 ( -0.743 1.938 -0.613) 2.165 4.150 ( -3.327 2.985 -0.329) 4.482 4.346 ( 2.270 -1.688 5.013) 5.756 4.377 ( 0.926 -2.510 -0.514) 2.725 4.394 ( 1.547 -0.508 1.857) 2.469 4.413 ( 3.360 -0.418 -0.771) 3.473 4.480 ( 2.080 -2.366 -1.552) 3.512 4.515 ( -1.249 -1.196 -2.391) 2.950 4.625 ( 7.291 -0.979 4.340) 8.542 4.679 ( -0.377 -1.510 -1.584) 2.221 4.748 ( -1.461 -4.230 -1.234) 4.642 4.824 ( 1.055 -3.044 -0.051) 3.222 4.852 ( -1.821 3.439 0.465) 3.919 4.876 ( -1.088 -3.524 -0.881) 3.792 4.897 ( -0.705 1.590 0.966) 1.990 4.946 ( -3.866 -0.536 -1.709) 4.261 5.068 ( -0.238 2.953 0.708) 3.046 5.080 ( -1.060 1.976 -0.500) 2.298 5.170 ( 0.054 -0.550 0.871) 1.031 5.184 ( -1.248 -0.579 0.130) 1.382 5.291 ( 2.107 -2.166 0.754) 3.114 5.307 ( 3.145 -1.656 0.694) 3.621 5.565 ( -2.607 -1.970 -0.577) 3.318 5.619 ( -2.804 1.415 0.042) 3.141 5.733 ( 1.092 1.007 0.790) 1.682 5.784 ( -0.930 3.106 -2.601) 4.156 6.280 ( 7.876 0.669 4.044) 8.879 6.315 ( 8.126 0.369 -2.592) 8.537 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -4.930 7.537 -0.000) 9.006 1.122 ( -6.290 12.973 -0.000) 14.417 1.163 ( -7.645 18.308 -0.000) 19.840 1.195 ( -5.879 7.112 -0.000) 9.227 1.645 ( -9.936 -5.414 0.000) 11.315 1.728 ( -9.944 3.297 0.000) 10.476 1.862 ( -1.577 3.402 -0.000) 3.750 1.871 ( -7.848 1.202 0.000) 7.939 2.028 ( 1.811 -0.769 -0.000) 1.967 2.092 ( -0.439 4.551 -0.000) 4.572 2.133 ( -1.382 -3.563 0.000) 3.822 2.201 ( 1.828 -0.245 -0.000) 1.844 2.256 ( 2.421 -0.120 -0.000) 2.424 2.292 ( 0.960 3.630 -0.000) 3.755 2.402 ( 3.938 0.529 -0.000) 3.973 2.488 ( 1.408 2.600 -0.000) 2.957 2.621 ( -5.663 -2.509 0.000) 6.193 2.643 ( -3.115 0.316 0.000) 3.131 2.866 ( 5.687 -3.970 -0.000) 6.935 3.003 ( 3.318 -1.308 -0.000) 3.566 3.027 ( 5.773 -1.233 -0.000) 5.903 3.077 ( 3.026 -3.316 -0.000) 4.490 3.363 ( -2.743 -4.499 0.000) 5.269 3.395 ( -2.739 -1.718 0.000) 3.234 3.805 ( -0.523 -0.549 0.000) 0.758 3.834 ( -3.118 -0.272 0.000) 3.130 3.839 ( -1.835 -2.727 0.000) 3.287 3.889 ( -1.244 -3.355 0.000) 3.578 3.955 ( 1.319 -0.239 -0.000) 1.341 3.968 ( 0.125 -0.705 0.000) 0.716 4.055 ( -2.013 -0.161 0.000) 2.020 4.070 ( 0.094 1.141 -0.000) 1.145 4.142 ( -0.216 0.570 -0.000) 0.610 4.232 ( -4.142 0.639 0.000) 4.191 4.285 ( 2.663 -1.846 -0.000) 3.240 4.329 ( 4.223 -1.117 -0.000) 4.369 4.336 ( 0.885 -2.783 0.000) 2.920 4.361 ( 3.864 -0.331 -0.000) 3.878 4.439 ( 2.032 0.866 -0.000) 2.209 4.501 ( 1.754 0.313 -0.000) 1.781 4.527 ( 1.638 -3.346 0.000) 3.725 4.693 ( -1.178 0.317 0.000) 1.220 4.707 ( -0.327 -5.212 0.000) 5.222 4.771 ( -0.006 -4.218 0.000) 4.218 4.845 ( -0.027 -2.220 0.000) 2.220 4.884 ( 1.151 0.907 -0.000) 1.465 4.939 ( -3.786 -1.198 0.000) 3.971 4.989 ( -2.885 -1.009 0.000) 3.056 5.100 ( 0.787 0.031 -0.000) 0.787 5.102 ( 2.781 5.087 -0.000) 5.797 5.167 ( 1.555 1.943 -0.000) 2.488 5.208 ( 1.586 -0.720 -0.000) 1.742 5.252 ( -4.078 -1.809 0.000) 4.461 5.279 ( -2.712 -0.081 0.000) 2.714 5.574 ( -2.981 -4.182 0.000) 5.136 5.625 ( 1.632 -0.498 -0.000) 1.706 5.687 ( 3.870 -0.346 -0.000) 3.885 5.888 ( -4.458 4.935 0.000) 6.651 6.154 ( 10.664 1.077 -0.000) 10.719 6.172 ( 9.118 1.276 -0.000) 9.206 ======================= Grid point 39 (21/95) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -0.000 -0.000 -13.370) 13.370 0.698 ( 0.000 0.000 13.370) 13.370 0.942 ( -0.000 -0.000 -20.325) 20.325 0.942 ( 0.000 0.000 20.325) 20.325 1.456 ( -0.000 -0.000 -30.514) 30.514 1.456 ( 0.000 0.000 30.514) 30.514 1.774 ( -0.000 -0.000 -2.327) 2.327 1.774 ( 0.000 0.000 2.327) 2.327 2.069 ( -0.000 -0.000 -1.683) 1.683 2.069 ( 0.000 0.000 1.683) 1.683 2.230 ( -0.000 -0.000 -0.175) 0.175 2.230 ( 0.000 0.000 0.175) 0.175 2.252 ( -0.000 -0.000 -5.245) 5.245 2.252 ( 0.000 0.000 5.245) 5.245 2.488 ( -0.000 -0.000 -14.704) 14.704 2.488 ( 0.000 0.000 14.704) 14.704 2.557 ( -0.000 -0.000 -4.487) 4.487 2.557 ( 0.000 0.000 4.487) 4.487 3.048 ( -0.000 -0.000 -3.912) 3.912 3.048 ( 0.000 0.000 3.912) 3.912 3.229 ( -0.000 -0.000 -4.621) 4.621 3.229 ( 0.000 0.000 4.621) 4.621 3.248 ( -0.000 -0.000 -0.903) 0.903 3.248 ( 0.000 0.000 0.903) 0.903 3.747 ( -0.000 -0.000 -1.797) 1.797 3.747 ( 0.000 0.000 1.797) 1.797 3.890 ( -0.000 -0.000 -0.602) 0.602 3.890 ( 0.000 0.000 0.602) 0.602 3.999 ( -0.000 -0.000 -2.020) 2.020 3.999 ( 0.000 0.000 2.020) 2.020 4.067 ( -0.000 -0.000 -0.881) 0.881 4.067 ( 0.000 0.000 0.881) 0.881 4.088 ( -0.000 -0.000 -1.203) 1.203 4.088 ( 0.000 0.000 1.203) 1.203 4.393 ( -0.000 -0.000 -2.214) 2.214 4.393 ( 0.000 0.000 2.214) 2.214 4.438 ( -0.000 -0.000 -7.437) 7.437 4.438 ( 0.000 0.000 7.437) 7.437 4.494 ( -0.000 -0.000 -3.977) 3.977 4.494 ( 0.000 0.000 3.977) 3.977 4.727 ( -0.000 -0.000 -1.560) 1.560 4.727 ( 0.000 0.000 1.560) 1.560 4.752 ( -0.000 -0.000 -3.822) 3.822 4.752 ( 0.000 0.000 3.822) 3.822 4.878 ( -0.000 -0.000 -0.984) 0.984 4.878 ( 0.000 0.000 0.984) 0.984 4.892 ( -0.000 -0.000 -1.260) 1.260 4.892 ( 0.000 0.000 1.260) 1.260 5.053 ( -0.000 -0.000 -1.065) 1.065 5.053 ( 0.000 0.000 1.065) 1.065 5.180 ( -0.000 -0.000 -0.774) 0.774 5.180 ( 0.000 0.000 0.774) 0.774 5.346 ( -0.000 -0.000 -0.902) 0.902 5.346 ( 0.000 0.000 0.902) 0.902 5.551 ( -0.000 -0.000 -1.615) 1.615 5.551 ( 0.000 0.000 1.615) 1.615 5.751 ( -0.000 -0.000 -4.339) 4.339 5.751 ( 0.000 0.000 4.339) 4.339 6.367 ( -0.000 -0.000 -4.100) 4.100 6.367 ( 0.000 0.000 4.100) 4.100 ======================= Grid point 70 (22/95) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 16.354 -0.000) 16.354 0.379 ( 0.000 16.801 -0.000) 16.801 0.858 ( 0.000 35.074 -0.000) 35.074 1.334 ( 0.000 19.783 -0.000) 19.783 1.571 ( -0.000 -3.243 0.000) 3.243 1.749 ( -0.000 -2.935 0.000) 2.935 1.757 ( -0.000 -2.843 0.000) 2.843 1.878 ( 0.000 2.386 -0.000) 2.386 1.949 ( -0.000 -1.553 0.000) 1.553 2.068 ( -0.000 -5.678 0.000) 5.678 2.225 ( 0.000 4.902 -0.000) 4.902 2.233 ( -0.000 -3.740 0.000) 3.740 2.264 ( 0.000 3.191 -0.000) 3.191 2.299 ( 0.000 1.806 -0.000) 1.806 2.403 ( 0.000 3.447 -0.000) 3.447 2.543 ( 0.000 4.668 -0.000) 4.668 2.593 ( -0.000 -4.861 0.000) 4.861 2.872 ( -0.000 -1.855 0.000) 1.855 2.902 ( -0.000 -4.848 0.000) 4.848 3.114 ( -0.000 -1.861 0.000) 1.861 3.133 ( -0.000 -8.218 0.000) 8.218 3.163 ( -0.000 -9.146 0.000) 9.146 3.167 ( 0.000 5.054 -0.000) 5.054 3.209 ( 0.000 5.473 -0.000) 5.473 3.705 ( 0.000 0.276 -0.000) 0.276 3.770 ( -0.000 -1.480 0.000) 1.480 3.856 ( -0.000 -0.271 0.000) 0.271 3.858 ( 0.000 0.917 -0.000) 0.917 3.993 ( 0.000 0.091 -0.000) 0.091 4.003 ( -0.000 -2.211 0.000) 2.211 4.027 ( -0.000 -2.646 0.000) 2.646 4.077 ( 0.000 3.798 -0.000) 3.798 4.162 ( 0.000 5.228 -0.000) 5.228 4.171 ( 0.000 1.728 -0.000) 1.728 4.186 ( 0.000 1.485 -0.000) 1.485 4.351 ( -0.000 -0.889 0.000) 0.889 4.368 ( -0.000 -2.500 0.000) 2.500 4.375 ( -0.000 -4.174 0.000) 4.174 4.507 ( 0.000 2.289 -0.000) 2.289 4.540 ( -0.000 -3.375 0.000) 3.375 4.558 ( -0.000 -3.851 0.000) 3.851 4.620 ( -0.000 -1.855 0.000) 1.855 4.742 ( 0.000 3.063 -0.000) 3.063 4.749 ( -0.000 -1.606 0.000) 1.606 4.805 ( -0.000 -6.478 0.000) 6.478 4.862 ( -0.000 -0.395 0.000) 0.395 4.954 ( -0.000 -5.945 0.000) 5.945 4.969 ( -0.000 -1.790 0.000) 1.790 5.001 ( 0.000 0.821 -0.000) 0.821 5.067 ( -0.000 -0.448 0.000) 0.448 5.149 ( 0.000 1.667 -0.000) 1.667 5.165 ( 0.000 3.196 -0.000) 3.196 5.223 ( -0.000 -1.857 0.000) 1.857 5.310 ( 0.000 0.297 -0.000) 0.297 5.588 ( -0.000 -1.069 0.000) 1.069 5.664 ( -0.000 -0.582 0.000) 0.582 5.730 ( -0.000 -0.962 0.000) 0.962 5.981 ( -0.000 -0.598 0.000) 0.598 6.184 ( 0.000 2.704 -0.000) 2.704 6.337 ( -0.000 -4.063 0.000) 4.063 ======================= Grid point 71 (23/95) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -13.148 12.662 2.309) 18.399 0.717 ( -14.529 11.179 8.319) 20.131 1.252 ( -4.332 25.305 1.466) 25.715 1.505 ( -0.534 6.674 -1.947) 6.972 1.611 ( -7.965 4.684 -4.841) 10.432 1.665 ( 2.049 -1.377 -0.828) 2.604 1.793 ( -4.630 -1.326 -1.742) 5.121 1.919 ( 0.248 1.848 4.480) 4.852 1.949 ( -2.603 -2.692 2.816) 4.686 2.020 ( -1.142 -3.743 0.477) 3.943 2.152 ( 1.886 -5.151 -1.553) 5.701 2.281 ( 0.412 1.583 -2.903) 3.332 2.301 ( 2.055 7.456 -1.009) 7.800 2.331 ( -1.608 0.053 6.142) 6.349 2.422 ( 3.441 4.795 0.160) 5.904 2.536 ( -0.110 -4.867 -1.362) 5.056 2.588 ( -1.525 4.740 -6.053) 7.838 2.818 ( 2.554 -3.941 -2.527) 5.333 2.849 ( 2.155 -3.172 3.997) 5.539 3.011 ( 1.074 -8.891 -0.167) 8.958 3.034 ( -2.008 -12.711 0.197) 12.870 3.075 ( 2.907 -0.663 -2.954) 4.197 3.249 ( -1.099 3.019 1.627) 3.601 3.289 ( -1.320 4.839 1.799) 5.329 3.737 ( -3.111 0.461 0.320) 3.161 3.782 ( -3.509 -2.599 -0.114) 4.368 3.838 ( 1.377 0.319 -1.990) 2.441 3.859 ( 1.233 1.180 1.334) 2.166 3.953 ( 1.556 -0.931 0.011) 1.813 3.998 ( -0.358 -3.077 -0.034) 3.098 4.016 ( -1.719 -0.918 0.012) 1.949 4.119 ( -0.336 3.262 -0.591) 3.332 4.180 ( 5.369 4.957 1.424) 7.444 4.190 ( 0.881 1.930 1.096) 2.388 4.224 ( -0.672 3.853 0.208) 3.917 4.308 ( 1.886 -2.627 0.405) 3.260 4.338 ( 0.575 -0.934 -0.275) 1.130 4.356 ( -0.460 -2.506 0.496) 2.595 4.461 ( 2.716 2.917 -0.413) 4.007 4.489 ( 1.219 -2.910 -1.199) 3.376 4.543 ( -0.977 -4.995 2.212) 5.549 4.594 ( 0.659 -1.575 -0.006) 1.707 4.708 ( 1.914 -0.960 -0.291) 2.161 4.741 ( 0.262 -4.205 0.227) 4.219 4.822 ( -3.550 -0.075 0.447) 3.579 4.869 ( -1.194 -1.216 -0.209) 1.717 4.914 ( -2.145 -3.642 0.409) 4.247 4.940 ( 0.469 -1.169 -1.483) 1.946 5.042 ( -2.954 0.029 1.978) 3.555 5.085 ( -1.772 -1.058 0.632) 2.159 5.162 ( -1.513 -0.709 -0.170) 1.680 5.182 ( 1.429 -2.406 0.299) 2.814 5.194 ( 0.509 2.370 0.176) 2.431 5.310 ( 0.992 2.590 -0.600) 2.838 5.555 ( 1.499 -2.996 0.334) 3.367 5.665 ( -2.099 -0.834 -4.301) 4.858 5.746 ( -2.058 -0.724 3.215) 3.885 5.938 ( 2.921 -1.157 -2.481) 4.003 6.169 ( 6.207 2.139 2.301) 6.956 6.284 ( 0.404 -5.106 0.381) 5.136 ======================= Grid point 72 (24/95) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -11.713 8.892 2.394) 14.899 1.076 ( -12.852 5.870 8.339) 16.406 1.438 ( -0.404 4.380 -3.623) 5.699 1.578 ( -1.754 -1.567 5.164) 5.674 1.722 ( -6.676 6.850 -5.042) 10.813 1.751 ( -6.348 4.774 -7.555) 10.962 1.854 ( -5.778 -0.467 -0.584) 5.826 1.926 ( 0.473 -2.313 3.621) 4.323 2.006 ( -3.617 -4.039 5.978) 8.071 2.030 ( -1.135 -1.953 -1.194) 2.554 2.073 ( -2.188 -1.671 -0.180) 2.759 2.228 ( 4.185 -0.258 -3.537) 5.485 2.334 ( 1.356 3.427 1.848) 4.123 2.405 ( 1.108 2.635 2.971) 4.123 2.412 ( 2.661 1.885 1.561) 3.615 2.473 ( 1.270 -0.307 1.809) 2.231 2.639 ( -2.442 4.330 -7.322) 8.850 2.729 ( 1.301 -3.118 -2.170) 4.015 2.762 ( 2.575 -6.588 0.752) 7.113 2.887 ( -0.550 -11.932 -1.676) 12.061 2.955 ( -1.316 -7.302 1.505) 7.571 3.006 ( 3.365 -0.029 -2.737) 4.338 3.305 ( 1.009 5.983 1.417) 6.231 3.368 ( -0.153 4.917 2.658) 5.592 3.787 ( -2.207 -0.778 -0.506) 2.394 3.809 ( -3.250 -1.737 -0.877) 3.788 3.815 ( 0.052 0.141 -1.364) 1.372 3.871 ( 0.407 2.740 1.491) 3.146 3.936 ( 0.207 -0.258 0.694) 0.769 3.972 ( -0.811 -2.857 -0.294) 2.985 4.046 ( -2.657 0.017 0.845) 2.788 4.130 ( 7.225 2.625 2.794) 8.179 4.148 ( -0.256 1.789 -1.243) 2.194 4.191 ( 1.076 -0.277 2.021) 2.306 4.270 ( 0.237 2.967 -1.953) 3.560 4.276 ( 0.335 -0.819 0.531) 1.032 4.310 ( 1.440 -0.287 -0.163) 1.478 4.345 ( 0.495 -0.343 1.576) 1.687 4.434 ( 0.866 -0.579 -2.042) 2.292 4.461 ( 0.408 0.815 -1.584) 1.827 4.532 ( -0.262 -1.538 2.904) 3.296 4.593 ( -2.370 -1.201 1.351) 2.981 4.664 ( 2.288 -0.164 -0.732) 2.408 4.707 ( 0.233 -1.418 0.558) 1.541 4.847 ( -0.316 -0.540 0.087) 0.631 4.864 ( -0.763 -1.367 0.219) 1.581 4.924 ( -1.717 -1.062 -1.055) 2.278 4.941 ( -2.505 -0.727 0.380) 2.636 5.063 ( 0.623 -2.158 0.431) 2.287 5.073 ( 1.079 -2.707 1.385) 3.227 5.169 ( -2.359 1.046 0.755) 2.689 5.184 ( 0.211 0.709 0.761) 1.061 5.236 ( -5.192 -0.285 0.614) 5.236 5.349 ( -2.201 3.360 -1.514) 4.293 5.485 ( 2.273 -4.234 0.664) 4.851 5.653 ( -0.196 -0.844 -4.450) 4.534 5.768 ( 0.895 -1.624 -0.117) 1.858 5.884 ( -0.004 -0.542 1.193) 1.311 6.072 ( 9.562 1.014 2.948) 10.057 6.210 ( 1.321 -5.423 -1.340) 5.740 ======================= Grid point 73 (25/95) ======================= q-point: ( 0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -2.827 4.711 2.412) 6.000 1.299 ( -7.111 -2.467 6.531) 9.966 1.442 ( 1.054 -0.657 -0.860) 1.510 1.607 ( -1.198 0.388 0.027) 1.260 1.755 ( -0.462 -1.504 -4.440) 4.710 1.820 ( -2.770 -5.111 -5.057) 7.705 1.901 ( -2.595 -3.487 3.724) 5.724 1.946 ( -0.004 -1.658 -2.003) 2.600 1.977 ( -5.846 -2.145 -0.382) 6.239 2.078 ( -1.910 -3.378 1.093) 4.032 2.100 ( -2.332 -6.774 3.492) 7.970 2.156 ( -1.175 1.691 -5.288) 5.675 2.313 ( 3.401 -2.342 3.582) 5.467 2.380 ( -0.013 3.593 1.832) 4.033 2.481 ( 1.493 5.521 1.135) 5.830 2.521 ( 2.729 6.387 2.577) 7.408 2.628 ( 0.828 -3.420 -1.173) 3.709 2.673 ( -0.060 -3.018 -1.941) 3.588 2.727 ( -2.715 0.590 -2.267) 3.586 2.772 ( -2.580 -5.476 -5.017) 7.863 2.908 ( 0.411 -4.508 2.366) 5.108 2.962 ( 0.688 0.358 -0.585) 0.971 3.371 ( 1.777 8.531 1.187) 8.795 3.426 ( 1.315 4.756 1.712) 5.223 3.784 ( -0.138 -0.577 -0.651) 0.880 3.818 ( -0.757 0.195 -1.898) 2.052 3.836 ( -2.574 -1.279 -0.933) 3.022 3.925 ( -0.424 4.307 1.564) 4.602 3.936 ( 0.315 0.265 0.548) 0.685 3.963 ( -1.961 -1.605 -1.207) 2.807 4.057 ( 3.327 0.665 2.057) 3.968 4.089 ( 0.659 -0.003 0.687) 0.952 4.175 ( -0.845 -0.858 2.615) 2.879 4.187 ( -1.184 0.317 1.927) 2.283 4.250 ( 1.406 -0.655 -1.936) 2.481 4.265 ( 0.147 -1.203 0.323) 1.254 4.296 ( 0.431 1.834 -3.336) 3.831 4.355 ( 0.918 1.811 1.616) 2.595 4.421 ( 1.744 1.691 0.205) 2.438 4.456 ( -0.351 -0.084 -1.558) 1.599 4.541 ( 0.767 1.330 1.765) 2.339 4.628 ( 0.107 0.161 0.918) 0.939 4.646 ( -2.087 0.156 1.375) 2.505 4.718 ( -1.533 1.728 -0.022) 2.310 4.839 ( 1.096 1.371 -1.430) 2.263 4.867 ( -0.439 -0.875 1.680) 1.944 4.945 ( -2.979 -0.736 -1.968) 3.645 4.973 ( -2.206 -0.220 -0.033) 2.217 5.019 ( 0.802 -2.204 0.411) 2.381 5.048 ( -0.649 -1.101 -0.416) 1.344 5.166 ( 1.114 -1.424 0.049) 1.809 5.217 ( 1.859 1.638 0.410) 2.511 5.346 ( -6.964 0.145 2.578) 7.428 5.394 ( -3.771 -3.231 -0.976) 5.061 5.451 ( -1.600 1.060 0.524) 1.990 5.593 ( 4.815 -0.924 -1.142) 5.034 5.717 ( -1.181 -1.627 -5.968) 6.298 5.871 ( 7.151 0.516 2.599) 7.626 6.003 ( -0.485 -0.222 6.264) 6.287 6.110 ( 2.123 -5.475 -3.211) 6.693 ======================= Grid point 74 (26/95) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 8.621 -3.954 0.074) 9.485 1.324 ( 3.303 -7.834 1.736) 8.678 1.386 ( -1.959 -5.525 7.651) 9.639 1.499 ( 9.684 -5.751 0.048) 11.263 1.690 ( 2.261 -5.923 -7.199) 9.593 1.835 ( -2.333 0.543 0.876) 2.551 1.850 ( -2.211 -1.905 -3.736) 4.741 1.966 ( -0.425 -3.857 -4.699) 6.094 2.006 ( -1.708 0.538 3.251) 3.711 2.073 ( -6.976 -5.252 -0.593) 8.752 2.125 ( 1.482 -0.414 -2.361) 2.818 2.161 ( -3.845 -0.836 2.631) 4.733 2.294 ( 1.552 1.432 0.635) 2.205 2.337 ( 6.441 0.796 -2.949) 7.128 2.477 ( 3.717 2.107 -0.141) 4.275 2.496 ( 4.839 -0.432 4.657) 6.730 2.617 ( -0.731 0.148 0.116) 0.755 2.709 ( -5.621 0.162 0.362) 5.635 2.746 ( -3.635 -0.559 -2.024) 4.198 2.854 ( -6.700 4.165 -2.135) 8.173 2.874 ( 0.211 -3.430 3.628) 4.997 2.986 ( -2.958 0.301 0.241) 2.983 3.434 ( 3.342 6.155 0.434) 7.017 3.452 ( 2.084 6.067 0.218) 6.419 3.778 ( -0.128 -0.391 -1.058) 1.135 3.816 ( -0.748 -0.852 -1.444) 1.836 3.861 ( -1.913 1.090 -0.650) 2.295 3.937 ( 0.386 1.252 -0.212) 1.327 3.971 ( -0.162 0.900 1.484) 1.743 3.982 ( -1.746 0.644 -2.143) 2.838 4.060 ( 0.828 3.046 1.740) 3.604 4.072 ( 1.074 -0.456 -0.210) 1.186 4.142 ( 2.628 -1.690 1.376) 3.414 4.219 ( 0.315 0.613 -3.195) 3.269 4.234 ( -0.795 -0.981 1.159) 1.714 4.280 ( -2.329 0.927 2.826) 3.777 4.298 ( 0.785 1.872 -1.278) 2.399 4.352 ( 1.720 0.856 -0.651) 2.028 4.411 ( 1.376 0.593 0.817) 1.706 4.467 ( -1.976 -0.546 0.991) 2.277 4.552 ( 1.047 1.874 1.004) 2.370 4.645 ( -1.062 2.238 0.358) 2.503 4.707 ( -2.524 1.735 1.075) 3.246 4.783 ( -1.624 3.835 -1.733) 4.511 4.832 ( 0.001 1.629 -1.446) 2.178 4.873 ( 0.111 0.243 1.747) 1.767 4.969 ( -1.820 -1.428 0.198) 2.321 5.009 ( -3.643 -1.158 -0.444) 3.848 5.015 ( -1.574 0.466 -0.849) 1.848 5.058 ( -1.170 0.612 -1.581) 2.060 5.123 ( 0.427 -3.601 -0.992) 3.760 5.149 ( 4.711 -1.032 -0.111) 4.823 5.402 ( 1.110 -0.467 0.184) 1.218 5.449 ( 2.739 -0.267 1.175) 2.992 5.479 ( -2.179 -0.759 -0.576) 2.378 5.539 ( -4.837 -0.759 2.605) 5.546 5.722 ( -3.938 -0.522 -6.900) 7.962 5.784 ( 4.546 2.079 3.653) 6.192 5.996 ( 1.939 -5.356 -4.149) 7.046 6.084 ( -4.464 -0.822 7.158) 8.476 ======================= Grid point 75 (27/95) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 13.126 -11.043 -3.290) 17.466 1.097 ( 15.726 -4.418 1.092) 16.371 1.249 ( 7.314 -11.008 5.250) 14.221 1.431 ( 9.858 1.271 -9.001) 13.410 1.519 ( 1.722 -4.206 6.754) 8.141 1.789 ( 3.099 -0.444 -3.410) 4.629 1.833 ( 2.389 -2.251 -3.865) 5.071 1.929 ( -4.226 -0.414 -2.245) 4.803 2.043 ( -2.064 -2.386 -1.920) 3.693 2.121 ( -0.737 1.436 0.718) 1.766 2.139 ( -2.168 -0.147 3.640) 4.239 2.220 ( -0.012 1.748 -2.254) 2.852 2.243 ( -0.068 -0.321 -3.266) 3.282 2.283 ( 3.495 1.798 2.282) 4.545 2.435 ( 4.779 -1.863 7.777) 9.316 2.460 ( 0.220 -0.099 -0.380) 0.450 2.629 ( -0.873 0.654 -2.032) 2.306 2.779 ( -2.118 2.087 0.979) 3.131 2.821 ( -4.018 -0.157 2.216) 4.591 2.876 ( -4.875 -2.892 0.988) 5.754 2.964 ( -2.483 2.303 -1.730) 3.803 3.054 ( -5.886 -0.797 0.433) 5.955 3.410 ( 4.156 2.364 -1.668) 5.064 3.490 ( 2.659 5.115 0.757) 5.814 3.768 ( -0.445 -0.501 -1.881) 1.997 3.819 ( -1.231 -0.253 -0.792) 1.485 3.905 ( 0.951 3.097 0.077) 3.241 3.942 ( 1.105 0.450 0.201) 1.210 3.975 ( -0.072 -0.790 0.684) 1.047 4.000 ( -1.957 0.125 -3.291) 3.831 4.019 ( 1.327 -1.042 -1.695) 2.392 4.061 ( 1.374 -1.489 1.573) 2.565 4.148 ( 0.634 5.957 -0.386) 6.003 4.206 ( 0.628 0.445 -3.288) 3.377 4.246 ( -0.091 0.168 0.082) 0.208 4.286 ( 1.031 0.770 -0.958) 1.604 4.314 ( -0.436 -2.041 -0.832) 2.247 4.350 ( -0.727 1.399 2.101) 2.627 4.408 ( -0.262 -0.372 1.961) 2.014 4.512 ( -2.199 0.657 2.920) 3.714 4.557 ( 0.867 1.002 -0.024) 1.325 4.716 ( -2.411 4.115 0.242) 4.776 4.757 ( -0.959 1.757 -0.707) 2.123 4.771 ( 2.173 1.585 -4.454) 5.203 4.899 ( -1.321 0.789 4.366) 4.629 4.906 ( -2.336 3.630 1.109) 4.457 4.968 ( -2.900 -4.396 0.414) 5.283 5.014 ( 4.627 -0.586 -0.105) 4.665 5.051 ( -1.077 1.218 0.634) 1.745 5.068 ( -3.120 0.008 -0.366) 3.141 5.096 ( -2.775 -1.156 -1.765) 3.486 5.118 ( -1.762 -1.026 -2.398) 3.148 5.290 ( 7.381 -1.809 -2.136) 7.895 5.377 ( 5.627 0.409 0.455) 5.661 5.538 ( -4.588 0.184 0.274) 4.600 5.617 ( -0.379 0.105 0.568) 0.691 5.753 ( -6.061 -1.404 2.331) 6.644 5.823 ( -1.220 1.766 -1.459) 2.595 5.916 ( -3.091 -3.445 -3.823) 6.003 6.181 ( -4.583 -0.928 6.134) 7.713 ======================= Grid point 76 (28/95) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 16.289 -0.000 -4.635) 16.935 0.776 ( 21.607 -0.000 -1.590) 21.665 1.035 ( 24.690 -0.000 -15.417) 29.108 1.110 ( 5.355 0.000 4.263) 6.845 1.606 ( -0.849 0.000 15.423) 15.446 1.755 ( -1.281 -0.000 -2.510) 2.818 1.774 ( 3.866 -0.000 -0.606) 3.913 1.922 ( -0.238 -0.000 -8.998) 9.001 2.037 ( -0.370 -0.000 -2.624) 2.650 2.133 ( 1.358 -0.000 -1.624) 2.117 2.164 ( 1.526 0.000 6.414) 6.593 2.188 ( -1.778 -0.000 -2.524) 3.087 2.255 ( 1.271 -0.000 -0.980) 1.605 2.302 ( -2.570 0.000 2.164) 3.360 2.419 ( 2.351 0.000 12.161) 12.386 2.421 ( 2.703 -0.000 -5.478) 6.109 2.640 ( -1.293 -0.000 -2.093) 2.460 2.860 ( -2.371 0.000 6.849) 7.248 2.862 ( -3.647 0.000 -0.180) 3.652 2.968 ( 0.223 -0.000 -4.499) 4.504 2.970 ( -7.037 0.000 -0.967) 7.103 3.131 ( -3.521 0.000 0.613) 3.574 3.352 ( 3.847 -0.000 -1.468) 4.117 3.481 ( 3.070 0.000 1.129) 3.271 3.770 ( -1.301 -0.000 -1.236) 1.794 3.830 ( 6.536 -0.000 -1.228) 6.650 3.835 ( -1.297 -0.000 -0.486) 1.385 3.934 ( 0.156 0.000 0.355) 0.388 4.007 ( 1.738 0.000 0.898) 1.957 4.009 ( -2.719 0.000 0.051) 2.720 4.023 ( -3.645 -0.000 -3.229) 4.870 4.041 ( 0.550 -0.000 0.093) 0.558 4.170 ( 2.576 -0.000 -2.290) 3.447 4.173 ( 2.350 -0.000 -1.844) 2.988 4.232 ( 0.979 -0.000 -0.446) 1.076 4.236 ( 0.515 -0.000 -2.673) 2.722 4.338 ( -2.646 0.000 -0.820) 2.770 4.369 ( 0.023 0.000 0.136) 0.138 4.444 ( -2.369 0.000 3.787) 4.467 4.538 ( 0.743 -0.000 -2.507) 2.615 4.577 ( -2.597 0.000 3.534) 4.385 4.716 ( 2.915 -0.000 -3.312) 4.412 4.756 ( -1.302 -0.000 -2.688) 2.986 4.808 ( -2.552 0.000 1.128) 2.790 4.924 ( 5.112 -0.000 1.169) 5.244 4.943 ( -0.253 0.000 5.312) 5.318 4.989 ( -1.981 0.000 1.738) 2.636 4.998 ( -4.203 0.000 1.425) 4.438 5.055 ( 4.213 -0.000 0.300) 4.224 5.094 ( -1.046 0.000 0.249) 1.075 5.111 ( -0.032 -0.000 -2.553) 2.553 5.129 ( -0.774 -0.000 -1.465) 1.657 5.192 ( -1.199 -0.000 -4.585) 4.740 5.309 ( 3.075 -0.000 0.433) 3.106 5.592 ( 0.507 -0.000 -1.055) 1.171 5.615 ( -3.717 0.000 0.240) 3.725 5.792 ( 3.527 -0.000 0.649) 3.586 5.863 ( -4.765 0.000 5.618) 7.367 5.999 ( -9.843 -0.000 -5.293) 11.176 6.266 ( -3.803 0.000 3.514) 5.178 ======================= Grid point 77 (29/95) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 17.379 0.000 0.000) 17.379 0.776 ( 23.432 0.000 0.000) 23.432 0.943 ( 26.619 0.000 0.000) 26.619 1.134 ( 5.080 0.000 0.000) 5.080 1.721 ( -4.441 -0.000 -0.000) 4.441 1.741 ( -1.715 -0.000 -0.000) 1.715 1.770 ( 4.658 0.000 0.000) 4.658 1.840 ( 2.606 0.000 0.000) 2.606 2.020 ( 0.648 0.000 0.000) 0.648 2.127 ( 0.842 0.000 0.000) 0.842 2.175 ( -2.980 -0.000 -0.000) 2.980 2.210 ( 1.068 0.000 0.000) 1.068 2.241 ( 1.127 0.000 0.000) 1.127 2.320 ( -2.336 -0.000 -0.000) 2.336 2.382 ( 3.907 0.000 0.000) 3.907 2.495 ( 1.689 0.000 0.000) 1.689 2.619 ( -2.341 -0.000 -0.000) 2.341 2.866 ( -3.589 -0.000 -0.000) 3.589 2.900 ( -2.978 -0.000 -0.000) 2.978 2.938 ( 2.008 0.000 0.000) 2.008 2.962 ( -7.075 -0.000 -0.000) 7.075 3.134 ( -3.670 -0.000 -0.000) 3.670 3.344 ( 3.707 0.000 0.000) 3.707 3.488 ( 2.683 0.000 0.000) 2.683 3.763 ( -2.013 -0.000 -0.000) 2.013 3.824 ( 7.534 0.000 0.000) 7.534 3.831 ( -1.429 -0.000 -0.000) 1.429 3.935 ( -1.775 -0.000 -0.000) 1.775 3.993 ( -2.811 -0.000 -0.000) 2.811 4.012 ( 1.692 0.000 0.000) 1.692 4.018 ( -2.798 -0.000 -0.000) 2.798 4.042 ( 1.087 0.000 0.000) 1.087 4.151 ( 0.797 0.000 0.000) 0.797 4.170 ( 4.022 0.000 0.000) 4.022 4.215 ( 1.030 0.000 0.000) 1.030 4.237 ( 3.159 0.000 0.000) 3.159 4.333 ( -2.578 -0.000 -0.000) 2.578 4.370 ( 0.414 0.000 0.000) 0.414 4.477 ( -4.251 -0.000 -0.000) 4.251 4.514 ( 2.566 0.000 0.000) 2.566 4.599 ( -2.711 -0.000 -0.000) 2.711 4.694 ( 2.851 0.000 0.000) 2.851 4.740 ( -1.354 -0.000 -0.000) 1.354 4.814 ( -2.591 -0.000 -0.000) 2.591 4.931 ( 5.133 0.000 0.000) 5.133 4.981 ( 0.471 0.000 0.000) 0.471 4.997 ( -2.437 -0.000 -0.000) 2.437 5.006 ( -4.713 -0.000 -0.000) 4.713 5.052 ( -0.805 -0.000 -0.000) 0.805 5.094 ( -1.513 -0.000 -0.000) 1.513 5.101 ( 8.471 0.000 0.000) 8.471 5.122 ( -0.412 -0.000 -0.000) 0.412 5.161 ( -4.641 -0.000 -0.000) 4.641 5.312 ( 3.114 0.000 0.000) 3.114 5.587 ( 0.142 0.000 0.000) 0.142 5.617 ( -3.356 -0.000 -0.000) 3.356 5.795 ( 2.324 0.000 0.000) 2.324 5.907 ( -3.743 -0.000 -0.000) 3.743 5.957 ( -10.912 -0.000 -0.000) 10.912 6.287 ( -3.029 -0.000 -0.000) 3.029 ======================= Grid point 79 (30/95) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 13.546 11.838) 17.990 0.515 ( 0.000 12.257 21.562) 24.803 0.890 ( 0.000 33.519 6.373) 34.119 1.306 ( 0.000 19.393 -5.093) 20.051 1.512 ( -0.000 -1.827 -11.030) 11.181 1.725 ( -0.000 -1.592 -2.372) 2.856 1.755 ( -0.000 -2.811 0.727) 2.903 1.945 ( 0.000 -0.410 8.777) 8.786 1.968 ( 0.000 -1.279 3.144) 3.394 2.059 ( -0.000 -4.426 -1.310) 4.616 2.207 ( -0.000 -3.124 -2.975) 4.314 2.223 ( 0.000 6.103 -0.494) 6.123 2.262 ( 0.000 2.467 0.040) 2.467 2.343 ( 0.000 0.520 5.693) 5.717 2.403 ( 0.000 3.561 -0.107) 3.563 2.456 ( -0.000 4.608 -13.225) 14.004 2.591 ( -0.000 -4.492 -0.455) 4.515 2.867 ( -0.000 -3.856 -6.404) 7.475 2.924 ( 0.000 -2.375 7.300) 7.676 3.051 ( -0.000 2.329 -6.833) 7.220 3.134 ( -0.000 -8.299 0.183) 8.301 3.159 ( -0.000 -9.693 -0.210) 9.695 3.215 ( 0.000 5.870 1.284) 6.008 3.229 ( 0.000 1.223 6.235) 6.354 3.709 ( 0.000 0.295 0.769) 0.823 3.769 ( -0.000 -1.401 -0.210) 1.417 3.847 ( -0.000 -0.830 -1.247) 1.498 3.862 ( 0.000 0.655 0.634) 0.911 3.977 ( -0.000 1.338 -1.786) 2.231 4.003 ( -0.000 -2.149 -0.070) 2.150 4.027 ( -0.000 -2.498 -0.029) 2.499 4.076 ( 0.000 3.321 -0.266) 3.332 4.175 ( -0.000 1.257 -0.756) 1.467 4.176 ( 0.000 4.538 1.381) 4.743 4.196 ( 0.000 2.169 3.532) 4.145 4.349 ( -0.000 -1.382 -0.156) 1.390 4.369 ( -0.000 -2.756 -0.074) 2.757 4.381 ( -0.000 -3.694 1.045) 3.839 4.521 ( 0.000 -1.721 1.024) 2.002 4.539 ( -0.000 -3.685 -0.477) 3.715 4.565 ( -0.000 -3.918 1.307) 4.130 4.644 ( 0.000 -1.262 4.753) 4.918 4.744 ( -0.000 -2.404 -0.681) 2.498 4.749 ( 0.000 2.851 1.357) 3.157 4.806 ( -0.000 -5.880 0.144) 5.881 4.861 ( -0.000 0.099 -0.310) 0.325 4.941 ( -0.000 -4.948 -2.152) 5.395 4.941 ( -0.000 -0.129 -2.990) 2.993 5.029 ( 0.000 -0.075 3.194) 3.195 5.076 ( 0.000 -0.715 1.289) 1.474 5.153 ( 0.000 1.184 0.613) 1.334 5.164 ( 0.000 3.233 -0.023) 3.233 5.229 ( -0.000 -2.268 1.078) 2.511 5.309 ( -0.000 -0.153 -0.156) 0.219 5.590 ( -0.000 -0.758 0.265) 0.803 5.628 ( -0.000 -0.637 -5.147) 5.186 5.736 ( 0.000 1.643 0.685) 1.780 5.948 ( -0.000 -0.065 -5.500) 5.500 6.214 ( 0.000 2.067 4.988) 5.399 6.355 ( 0.000 -4.668 2.678) 5.382 ======================= Grid point 80 (31/95) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -11.030 11.162 8.872) 18.027 0.854 ( -11.420 9.125 16.531) 22.067 1.281 ( -3.091 20.869 3.835) 21.442 1.467 ( -3.669 10.006 -5.006) 11.775 1.520 ( -5.866 7.613 -11.339) 14.864 1.660 ( 1.745 -3.215 0.290) 3.669 1.781 ( -4.290 -1.067 -0.983) 4.529 1.970 ( -0.249 -1.612 4.963) 5.224 1.992 ( -2.193 -1.260 3.299) 4.157 2.039 ( -2.297 -2.594 3.429) 4.874 2.126 ( 2.268 -4.852 -2.813) 6.050 2.263 ( 2.784 1.399 -1.867) 3.632 2.286 ( 1.496 7.598 -0.772) 7.783 2.397 ( -3.356 -0.706 5.001) 6.064 2.424 ( 2.788 4.493 -0.358) 5.300 2.457 ( -0.337 5.647 -9.649) 11.185 2.560 ( -2.174 -3.513 0.536) 4.166 2.772 ( 1.884 -3.267 -6.505) 7.520 2.889 ( 3.716 -4.741 2.529) 6.533 3.008 ( 0.690 -7.025 -0.470) 7.074 3.031 ( -0.017 -5.584 -2.427) 6.089 3.040 ( 0.308 -8.745 -0.682) 8.777 3.276 ( 0.182 3.567 3.108) 4.734 3.318 ( -1.892 3.830 3.151) 5.309 3.743 ( -2.808 0.392 0.744) 2.931 3.779 ( -3.209 -2.433 -0.418) 4.049 3.818 ( 1.432 0.246 -1.478) 2.072 3.870 ( 0.483 0.701 0.572) 1.026 3.955 ( 1.177 -0.499 0.316) 1.317 3.997 ( 0.116 -2.597 -0.240) 2.611 4.015 ( -2.127 -0.576 -0.101) 2.206 4.109 ( -0.495 2.629 -1.350) 2.997 4.194 ( 1.546 3.000 0.368) 3.396 4.204 ( 2.152 3.184 1.354) 4.075 4.238 ( 0.774 2.406 2.852) 3.811 4.315 ( 1.680 -2.496 0.723) 3.095 4.336 ( 0.514 -1.020 0.177) 1.155 4.365 ( -0.334 -1.511 1.201) 1.958 4.452 ( 2.222 -1.135 -1.239) 2.786 4.480 ( 1.995 -2.256 -0.664) 3.084 4.570 ( -3.411 -4.652 2.583) 6.320 4.599 ( 4.277 0.721 1.229) 4.508 4.698 ( 1.281 -2.253 -1.495) 2.992 4.746 ( 0.253 -3.751 0.794) 3.842 4.833 ( -3.113 -0.239 1.732) 3.571 4.862 ( -0.175 -0.655 -1.179) 1.359 4.914 ( -2.027 -1.813 -1.043) 2.913 4.929 ( -0.501 -1.042 0.374) 1.215 5.068 ( -2.525 -0.464 2.438) 3.540 5.097 ( -2.495 -1.269 1.731) 3.291 5.161 ( -0.805 -0.433 0.301) 0.962 5.187 ( 0.566 -2.959 0.674) 3.087 5.196 ( 0.868 2.435 0.175) 2.591 5.298 ( 0.836 1.861 -1.506) 2.535 5.558 ( 1.739 -2.495 -0.333) 3.060 5.618 ( -2.404 -1.806 -3.419) 4.553 5.776 ( -1.549 0.756 1.796) 2.490 5.898 ( 1.805 -0.163 -4.254) 4.624 6.206 ( 6.311 1.117 4.272) 7.702 6.291 ( 2.242 -4.759 0.799) 5.321 ======================= Grid point 81 (32/95) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -10.043 8.018 5.379) 13.931 1.187 ( -11.122 4.409 12.320) 17.174 1.403 ( -1.096 3.876 -2.804) 4.908 1.594 ( 1.284 4.697 -6.904) 8.448 1.649 ( -7.326 -2.134 -4.085) 8.655 1.722 ( -7.379 8.853 1.998) 11.696 1.842 ( -6.184 -0.415 -1.449) 6.365 1.970 ( 0.168 -2.977 4.422) 5.333 2.007 ( 1.794 -5.865 -2.799) 6.742 2.052 ( -3.624 0.689 0.382) 3.709 2.085 ( -3.569 -2.764 4.378) 6.289 2.203 ( 4.051 -0.360 -1.652) 4.390 2.336 ( 1.418 6.539 -0.605) 6.718 2.420 ( 3.674 1.122 0.362) 3.858 2.455 ( -2.837 -1.421 4.720) 5.687 2.485 ( 1.718 6.946 -0.920) 7.214 2.576 ( -2.649 0.493 -2.239) 3.503 2.697 ( -0.221 -1.901 -3.999) 4.433 2.756 ( 2.492 -7.999 -1.974) 8.608 2.862 ( 0.973 -12.586 -2.757) 12.921 2.969 ( -0.235 -5.055 0.776) 5.120 2.982 ( 1.809 -0.937 -1.383) 2.462 3.326 ( 1.506 5.642 2.398) 6.313 3.396 ( -0.109 4.505 2.436) 5.123 3.780 ( -1.687 -1.216 -0.698) 2.194 3.796 ( -0.805 -0.014 -0.768) 1.113 3.808 ( -1.985 -1.196 -0.606) 2.396 3.885 ( -0.142 2.599 1.216) 2.873 3.944 ( 0.074 -0.487 0.547) 0.736 3.966 ( -0.257 -2.307 -0.649) 2.410 4.055 ( -2.361 0.691 0.703) 2.559 4.130 ( -0.012 1.262 -1.636) 2.066 4.166 ( 5.037 2.181 2.890) 6.203 4.215 ( 0.598 -0.436 2.305) 2.421 4.244 ( 0.619 0.619 -2.452) 2.603 4.279 ( 0.295 -1.587 -0.233) 1.630 4.317 ( 2.159 0.442 1.623) 2.737 4.361 ( 1.169 0.868 1.377) 2.005 4.429 ( 0.755 0.967 0.941) 1.546 4.440 ( -0.666 -1.694 -2.207) 2.861 4.553 ( 2.257 1.142 1.202) 2.801 4.614 ( -3.817 -2.268 2.334) 5.016 4.653 ( 1.617 -0.205 -1.223) 2.037 4.715 ( 0.541 -1.296 1.115) 1.793 4.843 ( 0.972 -0.010 -1.211) 1.553 4.869 ( -2.549 -1.692 0.951) 3.204 4.907 ( 0.294 0.625 -1.329) 1.498 4.954 ( -2.890 -1.998 1.400) 3.782 5.067 ( 0.545 -2.321 0.122) 2.388 5.088 ( 2.411 -3.980 1.420) 4.865 5.181 ( -1.506 1.244 1.387) 2.395 5.196 ( -1.175 0.756 1.454) 2.016 5.245 ( -5.542 0.660 0.875) 5.650 5.329 ( -2.376 2.446 -2.138) 4.025 5.489 ( 1.769 -3.745 -0.063) 4.142 5.612 ( -1.002 -1.156 -2.836) 3.222 5.745 ( 3.960 -1.337 -3.584) 5.506 5.911 ( -2.526 0.567 3.261) 4.163 6.106 ( 8.833 0.021 3.203) 9.396 6.193 ( 3.289 -4.634 -1.903) 5.993 ======================= Grid point 82 (33/95) ======================= q-point: ( 0.62 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -2.807 4.745 3.540) 6.552 1.364 ( -3.033 -5.046 4.679) 7.520 1.453 ( -2.609 0.972 4.258) 5.087 1.583 ( 3.142 4.673 -4.788) 7.392 1.720 ( -7.105 -1.339 -4.071) 8.297 1.763 ( 1.022 -7.412 -3.512) 8.265 1.924 ( 1.689 -0.953 -1.682) 2.567 1.929 ( -8.347 -3.020 0.532) 8.892 1.987 ( -2.574 -4.790 2.302) 5.905 2.073 ( 1.008 -3.925 -2.225) 4.623 2.123 ( -2.708 -2.364 0.893) 3.704 2.142 ( -1.896 -2.735 3.086) 4.539 2.342 ( 3.959 -0.975 0.359) 4.093 2.389 ( 1.961 2.906 1.434) 3.787 2.493 ( 2.832 4.811 0.972) 5.667 2.548 ( 2.318 5.161 1.825) 5.944 2.613 ( -2.423 -1.443 -1.517) 3.202 2.657 ( -1.269 -4.151 -0.719) 4.400 2.697 ( -6.203 -1.200 -4.472) 7.740 2.729 ( 0.423 -3.151 -1.797) 3.652 2.928 ( 0.219 -3.207 1.403) 3.508 2.957 ( -0.451 -0.146 -0.444) 0.650 3.385 ( 2.369 8.638 1.259) 9.045 3.442 ( 2.078 4.524 1.270) 5.138 3.778 ( -0.481 -0.950 -0.420) 1.144 3.802 ( -0.349 0.396 -1.158) 1.273 3.826 ( -2.533 -1.507 -0.925) 3.089 3.926 ( 0.206 1.551 -0.232) 1.582 3.948 ( -0.784 0.556 -0.829) 1.270 3.958 ( -0.695 1.034 1.828) 2.212 4.074 ( 2.116 0.570 1.235) 2.516 4.094 ( 1.882 -0.247 0.222) 1.911 4.181 ( -0.360 0.054 -2.395) 2.422 4.211 ( -1.636 1.303 2.201) 3.036 4.234 ( 0.693 -0.947 0.537) 1.291 4.258 ( -0.270 -1.491 -1.064) 1.852 4.303 ( 1.698 1.223 3.428) 4.017 4.365 ( 1.797 1.942 0.097) 2.648 4.424 ( 0.284 0.093 0.017) 0.299 4.440 ( -1.072 -0.103 -0.986) 1.460 4.553 ( 1.524 2.569 0.629) 3.053 4.634 ( 1.296 1.337 0.471) 1.920 4.659 ( -2.904 -0.486 0.458) 2.980 4.722 ( -0.570 1.736 0.959) 2.063 4.822 ( 1.186 0.838 -1.620) 2.176 4.885 ( 0.051 -0.035 1.284) 1.285 4.926 ( -4.080 -1.152 -1.278) 4.428 4.978 ( -1.840 -1.140 0.956) 2.366 5.022 ( 1.184 -2.400 0.035) 2.676 5.040 ( -0.535 -1.518 -1.148) 1.977 5.168 ( 1.316 -2.176 0.296) 2.560 5.222 ( 3.167 1.462 0.360) 3.506 5.371 ( -5.386 0.309 1.460) 5.589 5.387 ( -7.047 -0.219 0.300) 7.057 5.457 ( -1.326 -1.170 0.477) 1.832 5.584 ( 3.888 -0.151 -0.513) 3.925 5.655 ( 0.426 -1.182 -5.456) 5.599 5.910 ( 7.078 -0.430 4.385) 8.337 6.056 ( -1.681 -0.500 1.937) 2.613 6.072 ( 2.744 -4.236 -2.164) 5.491 ======================= Grid point 83 (34/95) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 10.265 -6.493 0.609) 12.162 1.352 ( 2.965 -4.401 3.636) 6.433 1.447 ( 1.334 -4.613 1.545) 5.045 1.490 ( 8.333 -1.885 -0.260) 8.548 1.640 ( 0.020 -8.975 -1.719) 9.138 1.806 ( -6.048 -2.183 -3.791) 7.464 1.853 ( 2.850 -1.076 1.438) 3.369 1.913 ( 1.954 -5.096 -3.836) 6.671 2.028 ( -3.418 -3.137 0.444) 4.660 2.066 ( -8.718 -3.415 -0.416) 9.372 2.122 ( 0.787 0.385 1.331) 1.594 2.187 ( -1.818 1.027 0.640) 2.184 2.261 ( 3.643 -0.492 -3.270) 4.920 2.344 ( 4.816 1.390 2.442) 5.576 2.464 ( 4.518 1.271 -1.829) 5.037 2.535 ( 2.765 2.386 2.352) 4.344 2.623 ( -0.363 -2.268 0.350) 2.324 2.712 ( -6.816 0.158 0.212) 6.821 2.732 ( -2.363 0.882 -0.285) 2.539 2.833 ( -8.262 3.674 -1.765) 9.213 2.904 ( -0.057 -2.751 2.034) 3.422 2.988 ( -3.456 -0.078 0.155) 3.461 3.438 ( 4.384 4.467 0.240) 6.263 3.454 ( 2.732 8.312 0.192) 8.752 3.769 ( -0.053 -1.137 -0.641) 1.306 3.802 ( -0.595 -0.242 -1.013) 1.199 3.855 ( -2.550 0.622 -0.557) 2.683 3.930 ( -0.276 0.884 -1.251) 1.556 3.954 ( -0.730 -0.159 -0.959) 1.216 3.999 ( 0.301 1.171 1.885) 2.240 4.068 ( 2.004 -0.297 0.111) 2.028 4.079 ( 0.389 4.066 0.922) 4.187 4.157 ( 3.305 -1.475 1.380) 3.873 4.190 ( 1.369 0.342 -2.236) 2.644 4.241 ( -0.612 -1.168 0.505) 1.412 4.264 ( -1.384 1.102 -2.017) 2.683 4.331 ( 0.636 0.437 2.162) 2.296 4.345 ( 1.388 1.623 0.489) 2.190 4.421 ( 0.782 0.949 0.895) 1.522 4.477 ( -3.426 -0.136 0.820) 3.525 4.562 ( 1.037 1.726 1.049) 2.271 4.653 ( -0.849 2.320 1.304) 2.794 4.703 ( -1.363 2.625 -1.726) 3.424 4.755 ( 1.544 3.957 -2.923) 5.156 4.825 ( -2.245 1.256 -0.075) 2.574 4.899 ( -1.375 -0.268 2.693) 3.035 4.974 ( -2.800 -1.903 0.856) 3.492 5.004 ( -3.601 -1.556 -0.667) 3.979 5.008 ( -1.139 0.779 -0.246) 1.401 5.036 ( -0.913 0.118 -2.399) 2.570 5.116 ( 0.115 -3.869 -0.422) 3.894 5.148 ( 5.305 -0.856 -0.167) 5.376 5.407 ( 3.768 -0.100 0.654) 3.826 5.459 ( 4.568 -0.662 0.631) 4.659 5.470 ( -3.621 -0.114 -0.934) 3.742 5.570 ( -7.008 -0.001 3.177) 7.694 5.660 ( -3.983 0.141 -5.081) 6.457 5.830 ( 3.982 -0.279 5.049) 6.436 5.946 ( 2.461 -4.046 -5.340) 7.137 6.144 ( -4.949 -0.573 3.986) 6.380 ======================= Grid point 84 (35/95) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 14.099 -11.637 -1.103) 18.314 1.120 ( 18.664 -3.088 2.298) 19.056 1.290 ( 6.990 -10.436 2.133) 12.741 1.324 ( 14.969 -2.120 -6.972) 16.648 1.613 ( -4.022 -1.474 6.765) 8.008 1.763 ( 1.631 -2.953 -1.015) 3.522 1.795 ( -0.821 -1.555 -3.457) 3.878 1.907 ( 0.535 0.415 -1.176) 1.357 2.024 ( -2.309 -3.136 -1.504) 4.174 2.127 ( 0.993 2.071 1.698) 2.856 2.160 ( 0.899 0.980 -3.440) 3.688 2.182 ( -4.681 -1.188 0.654) 4.874 2.250 ( 0.608 1.396 0.892) 1.764 2.311 ( 2.590 0.607 2.808) 3.868 2.416 ( 1.865 1.788 -3.341) 4.223 2.532 ( 2.256 -1.976 7.018) 7.632 2.596 ( -0.572 0.304 -4.225) 4.274 2.790 ( -3.228 1.939 0.807) 3.851 2.836 ( -7.169 0.711 0.513) 7.223 2.889 ( -1.553 -3.090 1.071) 3.621 2.948 ( -1.807 2.135 -1.005) 2.972 3.056 ( -6.425 -1.351 0.026) 6.566 3.397 ( 4.691 2.300 -0.658) 5.266 3.496 ( 2.975 5.885 0.297) 6.601 3.754 ( -0.447 -1.098 -0.696) 1.374 3.811 ( -1.201 -0.000 -0.486) 1.295 3.897 ( -0.348 2.224 -1.126) 2.517 3.941 ( 1.855 1.207 -0.187) 2.221 3.964 ( -1.592 -0.103 -0.821) 1.794 3.990 ( 1.556 -2.730 0.431) 3.172 4.015 ( 0.557 0.767 -0.096) 0.953 4.077 ( 2.051 -2.161 1.009) 3.146 4.144 ( 1.736 6.122 -0.315) 6.371 4.181 ( 1.255 1.501 -1.393) 2.401 4.253 ( -0.730 -0.712 1.044) 1.459 4.272 ( 0.345 0.233 -1.512) 1.568 4.306 ( -0.789 -2.054 -0.467) 2.250 4.366 ( 0.553 1.887 0.830) 2.134 4.430 ( -0.931 -0.303 1.677) 1.942 4.529 ( -0.066 2.548 0.237) 2.560 4.565 ( -0.315 -0.571 1.235) 1.396 4.714 ( -0.987 2.414 -0.090) 2.609 4.730 ( 1.031 1.734 -2.852) 3.493 4.749 ( -0.514 4.112 -0.445) 4.168 4.916 ( -4.859 2.493 0.514) 5.485 4.945 ( -2.571 -0.692 3.045) 4.045 4.975 ( -1.727 -2.822 1.464) 3.618 5.008 ( 3.884 1.415 -1.311) 4.336 5.051 ( -1.061 1.857 -0.211) 2.149 5.057 ( -0.984 -0.598 -1.578) 1.953 5.085 ( -4.566 -2.356 -0.010) 5.138 5.103 ( -1.437 -0.678 -0.647) 1.715 5.273 ( 8.562 -2.784 -0.981) 9.057 5.380 ( 5.438 0.463 0.162) 5.460 5.539 ( -3.199 1.720 -0.043) 3.632 5.622 ( 0.043 -1.719 0.359) 1.757 5.771 ( -10.852 -0.644 0.555) 10.885 5.827 ( 0.842 0.089 2.333) 2.482 5.874 ( -2.266 -2.011 -3.863) 4.910 6.227 ( -4.412 -0.698 2.367) 5.055 ======================= Grid point 88 (36/95) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 9.303 17.073) 19.443 0.747 ( 0.000 12.267 19.753) 23.252 1.006 ( 0.000 25.778 16.930) 30.840 1.235 ( 0.000 19.040 -8.238) 20.746 1.363 ( -0.000 0.387 -16.423) 16.428 1.721 ( 0.000 -1.505 1.066) 1.844 1.751 ( -0.000 -3.210 -2.248) 3.919 1.988 ( -0.000 1.239 -1.635) 2.052 2.026 ( 0.000 -2.681 6.018) 6.588 2.050 ( -0.000 -1.810 -0.759) 1.963 2.181 ( -0.000 -3.306 -1.821) 3.774 2.210 ( 0.000 5.979 -1.855) 6.260 2.273 ( 0.000 2.715 1.974) 3.356 2.304 ( -0.000 1.592 -8.630) 8.775 2.399 ( 0.000 5.342 0.669) 5.384 2.429 ( 0.000 -0.262 5.741) 5.747 2.583 ( -0.000 -3.518 -1.134) 3.696 2.772 ( -0.000 -2.280 -11.487) 11.711 2.988 ( 0.000 -3.507 4.280) 5.533 3.002 ( -0.000 1.331 -2.396) 2.741 3.137 ( -0.000 -8.503 0.370) 8.511 3.156 ( -0.000 -9.713 -0.347) 9.719 3.237 ( 0.000 6.370 2.794) 6.956 3.280 ( 0.000 1.314 3.416) 3.660 3.718 ( 0.000 0.452 0.940) 1.043 3.765 ( -0.000 -1.170 -0.697) 1.362 3.839 ( -0.000 -2.309 -0.010) 2.309 3.867 ( 0.000 -0.072 0.227) 0.238 3.968 ( 0.000 1.659 0.057) 1.660 4.002 ( -0.000 -1.951 -0.151) 1.956 4.027 ( -0.000 -2.211 -0.056) 2.212 4.069 ( 0.000 2.135 -1.161) 2.430 4.162 ( -0.000 2.135 -1.208) 2.453 4.180 ( 0.000 4.530 -0.379) 4.546 4.253 ( 0.000 1.347 6.717) 6.851 4.352 ( 0.000 -1.530 0.972) 1.813 4.366 ( -0.000 -3.034 -0.509) 3.077 4.396 ( -0.000 -3.192 1.683) 3.608 4.511 ( -0.000 -4.375 -2.809) 5.199 4.529 ( -0.000 -2.482 -1.225) 2.768 4.584 ( -0.000 -4.115 2.235) 4.683 4.684 ( -0.000 -1.599 0.600) 1.708 4.750 ( 0.000 -4.271 2.745) 5.078 4.768 ( 0.000 2.086 1.973) 2.872 4.808 ( -0.000 -4.317 0.263) 4.325 4.851 ( -0.000 0.275 -1.630) 1.653 4.919 ( -0.000 -3.340 -1.695) 3.746 4.921 ( 0.000 1.535 -0.804) 1.733 5.056 ( 0.000 0.368 1.969) 2.003 5.087 ( 0.000 -0.295 0.679) 0.740 5.161 ( 0.000 0.204 0.796) 0.822 5.166 ( 0.000 2.803 0.446) 2.838 5.244 ( -0.000 -3.371 1.698) 3.775 5.306 ( -0.000 -1.385 -0.459) 1.459 5.584 ( -0.000 -0.039 -2.708) 2.709 5.593 ( 0.000 -0.035 0.139) 0.144 5.743 ( 0.000 2.989 0.790) 3.091 5.883 ( -0.000 0.561 -6.382) 6.407 6.272 ( 0.000 1.142 5.560) 5.676 6.378 ( -0.000 -4.019 1.332) 4.234 ======================= Grid point 89 (37/95) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -8.588 8.361 12.427) 17.266 1.033 ( -7.743 9.020 16.407) 20.261 1.300 ( -2.264 5.784 -4.250) 7.526 1.391 ( -4.069 11.972 -9.410) 15.762 1.442 ( -6.236 18.267 1.202) 19.340 1.672 ( 0.539 -2.294 1.628) 2.864 1.766 ( -4.456 -1.869 -1.512) 5.064 2.004 ( -0.784 1.670 -1.661) 2.482 2.017 ( -0.315 -2.003 2.533) 3.244 2.051 ( -2.099 -2.971 -2.184) 4.243 2.118 ( 1.561 -2.624 2.246) 3.790 2.232 ( 2.006 0.794 -2.701) 3.457 2.284 ( 1.295 5.574 -0.887) 5.791 2.346 ( -3.215 3.313 -4.196) 6.239 2.438 ( 2.839 5.770 1.893) 6.703 2.469 ( -1.259 -1.126 4.866) 5.151 2.570 ( -2.313 -1.442 0.916) 2.875 2.685 ( 0.609 -1.366 -9.749) 9.863 2.897 ( 4.743 -6.568 -0.522) 8.118 3.004 ( -0.168 -1.993 -0.114) 2.004 3.013 ( 1.810 -10.698 -0.767) 10.877 3.041 ( -0.699 -8.982 -0.003) 9.009 3.309 ( 0.376 3.616 2.857) 4.624 3.348 ( -1.844 3.325 2.316) 4.452 3.750 ( -2.403 0.177 0.600) 2.483 3.774 ( -2.882 -1.896 -0.594) 3.500 3.810 ( 1.083 -0.499 0.048) 1.194 3.870 ( -0.329 0.364 -0.399) 0.633 3.959 ( 1.013 -0.463 0.432) 1.195 3.993 ( 1.026 -1.861 -0.383) 2.160 4.014 ( -2.219 0.034 0.043) 2.220 4.093 ( -0.996 1.829 -1.674) 2.672 4.191 ( 0.258 2.952 -0.534) 3.011 4.212 ( 1.189 3.128 -0.071) 3.347 4.272 ( 1.608 -0.516 2.978) 3.423 4.318 ( 1.193 -2.865 -0.182) 3.109 4.347 ( 1.266 -0.463 1.809) 2.256 4.383 ( 0.400 -0.178 2.166) 2.210 4.441 ( 0.915 -2.141 -0.696) 2.430 4.472 ( 1.349 -3.097 -0.593) 3.429 4.595 ( -4.093 -3.943 2.075) 6.050 4.613 ( 6.228 1.805 0.847) 6.540 4.680 ( 1.012 -3.313 -1.693) 3.855 4.757 ( 0.742 -2.818 1.169) 3.140 4.836 ( -1.263 -1.123 -1.864) 2.517 4.866 ( -1.083 0.186 2.567) 2.792 4.905 ( -1.689 -1.356 -0.415) 2.206 4.934 ( -0.878 0.205 0.070) 0.904 5.087 ( -1.385 -0.549 1.137) 1.874 5.117 ( -4.105 -0.789 1.777) 4.543 5.168 ( -1.287 -0.511 0.853) 1.626 5.195 ( 0.527 0.479 -0.357) 0.797 5.198 ( 1.213 -1.928 1.406) 2.677 5.280 ( 0.498 0.893 -1.889) 2.148 5.542 ( 1.325 -2.331 -1.983) 3.335 5.606 ( -1.246 -1.809 0.503) 2.253 5.777 ( 0.995 0.958 -1.667) 2.165 5.864 ( -1.695 1.310 -1.835) 2.820 6.250 ( 6.450 -0.050 3.731) 7.451 6.298 ( 4.354 -3.900 0.421) 5.861 ======================= Grid point 90 (38/95) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -8.554 5.294 5.641) 11.533 1.321 ( -9.007 4.521 12.602) 16.136 1.382 ( -2.945 5.183 -1.022) 6.048 1.496 ( -0.501 8.064 -8.897) 12.018 1.586 ( -5.870 -1.032 -8.093) 10.051 1.784 ( -5.219 -1.649 6.780) 8.713 1.832 ( -5.396 3.632 0.756) 6.548 1.967 ( 2.121 -3.969 -4.656) 6.475 2.011 ( -1.389 -2.965 2.591) 4.176 2.048 ( -1.794 1.515 -0.582) 2.419 2.129 ( -2.452 -3.292 3.078) 5.131 2.191 ( 1.547 -0.665 -0.358) 1.722 2.324 ( 1.008 6.266 -1.921) 6.631 2.405 ( -1.071 3.547 -2.432) 4.432 2.474 ( 2.929 6.103 0.816) 6.818 2.502 ( -2.407 -0.140 3.959) 4.635 2.583 ( -0.373 -0.872 -0.088) 0.952 2.657 ( -1.835 -1.203 -1.955) 2.938 2.725 ( 2.575 -8.601 -3.611) 9.677 2.839 ( 2.064 -12.670 -1.407) 12.913 2.970 ( 0.690 -2.455 0.060) 2.551 2.977 ( 0.496 -3.737 -0.081) 3.771 3.349 ( 1.846 5.217 1.692) 5.787 3.415 ( -0.038 4.239 1.268) 4.425 3.774 ( -1.683 -1.507 -0.427) 2.299 3.793 ( -0.944 -0.832 -0.085) 1.261 3.802 ( -1.112 -0.398 -0.397) 1.246 3.896 ( -0.722 2.666 0.886) 2.901 3.944 ( 0.034 -1.117 -0.476) 1.215 3.962 ( 0.395 -0.899 -0.067) 0.984 4.062 ( -2.239 1.320 0.688) 2.688 4.112 ( -0.371 1.156 -1.818) 2.186 4.178 ( 3.693 0.835 -0.462) 3.814 4.233 ( -1.029 0.513 1.159) 1.632 4.238 ( 1.881 -1.464 1.577) 2.858 4.272 ( 0.457 -2.043 -1.014) 2.326 4.337 ( 2.038 1.471 1.832) 3.111 4.370 ( 2.040 1.738 0.263) 2.693 4.421 ( -1.773 -3.964 -1.133) 4.487 4.447 ( 1.432 1.228 1.965) 2.724 4.560 ( 3.717 2.960 0.217) 4.756 4.631 ( -2.526 -2.132 0.327) 3.322 4.643 ( -0.906 -1.334 -0.148) 1.619 4.730 ( 1.231 -0.198 1.530) 1.973 4.824 ( 0.093 -0.353 -1.889) 1.924 4.882 ( -2.238 -2.008 1.204) 3.239 4.900 ( 1.585 1.005 -0.214) 1.889 4.964 ( -2.919 -1.472 0.428) 3.297 5.066 ( 0.832 -2.727 -0.204) 2.858 5.102 ( 2.958 -4.984 1.059) 5.892 5.194 ( -0.032 0.869 0.977) 1.307 5.214 ( -2.103 1.539 1.694) 3.108 5.252 ( -6.607 1.391 0.424) 6.765 5.308 ( -2.465 1.798 -1.697) 3.491 5.483 ( 0.350 -3.648 -0.903) 3.775 5.597 ( -0.388 -1.591 -0.261) 1.658 5.707 ( 4.904 -0.504 -3.182) 5.868 5.941 ( -4.172 0.975 2.222) 4.827 6.134 ( 8.426 -1.070 2.098) 8.749 6.174 ( 5.673 -3.512 -1.540) 6.848 ======================= Grid point 91 (39/95) ======================= q-point: ( 0.75 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -4.404 3.379 1.698) 5.805 1.394 ( 3.243 -4.048 1.758) 5.477 1.527 ( -0.801 4.400 0.957) 4.573 1.533 ( -1.742 3.030 4.092) 5.382 1.640 ( -6.791 -2.405 -9.162) 11.655 1.766 ( 0.664 -7.519 1.467) 7.690 1.905 ( -0.356 -1.655 -1.405) 2.200 1.928 ( -8.291 -1.509 -0.290) 8.432 2.015 ( 0.279 -6.221 2.452) 6.693 2.048 ( -0.991 -3.893 -2.094) 4.530 2.135 ( -1.511 -2.689 0.885) 3.209 2.174 ( -1.216 -1.834 2.164) 3.086 2.323 ( 3.580 -0.891 -2.066) 4.228 2.417 ( 4.195 1.298 2.375) 4.992 2.507 ( 3.050 5.396 2.265) 6.599 2.541 ( 3.200 5.386 -3.170) 7.021 2.600 ( -4.179 -1.482 -0.833) 4.511 2.654 ( -8.245 -1.805 0.066) 8.441 2.665 ( -2.408 -6.845 -0.947) 7.317 2.720 ( 0.896 0.155 -0.380) 0.986 2.937 ( 0.271 -2.189 0.480) 2.257 2.953 ( -1.056 -0.596 -0.218) 1.232 3.395 ( 2.770 8.646 0.526) 9.094 3.451 ( 2.468 4.446 0.430) 5.103 3.776 ( -0.823 -1.427 -0.102) 1.651 3.794 ( 0.060 0.377 -0.366) 0.529 3.818 ( -2.470 -1.369 -0.427) 2.856 3.923 ( 0.126 -0.613 -0.294) 0.691 3.943 ( 0.077 1.857 -0.152) 1.865 3.973 ( -0.861 2.434 0.776) 2.696 4.084 ( 2.606 0.488 0.658) 2.731 4.096 ( 1.181 -0.350 0.139) 1.239 4.149 ( -0.602 1.346 -2.272) 2.708 4.231 ( -0.810 -0.140 1.498) 1.709 4.247 ( -0.298 -0.908 -0.391) 1.033 4.251 ( 0.646 -1.641 0.809) 1.941 4.337 ( 1.418 2.419 2.247) 3.593 4.358 ( 2.015 1.397 -0.982) 2.641 4.422 ( -3.939 -2.746 -0.079) 4.803 4.436 ( 2.030 1.356 -0.154) 2.446 4.557 ( 1.668 3.195 0.145) 3.607 4.640 ( 0.675 2.664 0.524) 2.798 4.656 ( -1.744 -1.346 -0.558) 2.272 4.732 ( 1.422 2.663 0.579) 3.074 4.810 ( 0.370 0.064 -0.572) 0.684 4.890 ( 0.141 0.570 -0.047) 0.589 4.921 ( -5.228 -2.137 0.077) 5.648 4.990 ( -1.795 -0.897 1.070) 2.274 5.021 ( 1.339 -2.507 -0.013) 2.842 5.027 ( 0.139 -2.461 -1.170) 2.728 5.172 ( 1.452 -2.805 0.240) 3.167 5.224 ( 4.185 1.671 0.038) 4.507 5.374 ( -5.478 0.106 -0.087) 5.480 5.399 ( -7.390 2.128 0.885) 7.741 5.461 ( -2.536 -2.786 0.339) 3.782 5.585 ( 3.659 -0.034 0.973) 3.786 5.608 ( 1.648 -0.504 -3.396) 3.808 5.959 ( 5.417 -1.643 4.714) 7.367 6.017 ( 5.085 -2.755 -4.764) 7.493 6.093 ( -2.757 -0.680 1.498) 3.210 ======================= Grid point 92 (40/95) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 10.645 -7.979 -0.000) 13.303 1.389 ( -2.739 0.355 0.000) 2.762 1.421 ( 13.902 -2.775 -0.000) 14.176 1.502 ( 4.760 -6.791 0.000) 8.293 1.638 ( -4.642 -7.678 0.000) 8.972 1.783 ( -4.578 -2.952 0.000) 5.447 1.855 ( 4.043 -3.706 -0.000) 5.484 1.900 ( 1.286 -3.009 0.000) 3.273 2.025 ( -2.561 -5.334 0.000) 5.917 2.065 ( -10.052 -2.059 0.000) 10.260 2.138 ( -0.212 0.849 -0.000) 0.876 2.173 ( 2.024 0.354 -0.000) 2.055 2.252 ( 1.546 0.298 -0.000) 1.574 2.362 ( 4.065 1.121 -0.000) 4.217 2.450 ( 5.940 1.095 -0.000) 6.040 2.547 ( 1.550 4.056 -0.000) 4.342 2.623 ( -0.325 -4.104 0.000) 4.116 2.713 ( -7.757 0.069 0.000) 7.757 2.734 ( -1.170 1.815 -0.000) 2.160 2.822 ( -8.991 3.213 0.000) 9.548 2.915 ( -0.166 -2.439 0.000) 2.445 2.989 ( -3.646 -0.193 0.000) 3.651 3.439 ( 4.753 3.577 -0.000) 5.948 3.455 ( 3.048 9.439 -0.000) 9.919 3.766 ( -0.100 -1.531 0.000) 1.535 3.797 ( -0.440 0.061 0.000) 0.444 3.851 ( -2.652 0.248 0.000) 2.663 3.922 ( -0.606 0.377 0.000) 0.714 3.951 ( 0.068 0.493 -0.000) 0.498 4.009 ( 0.083 0.886 -0.000) 0.889 4.068 ( 2.162 -1.076 -0.000) 2.415 4.084 ( 0.435 5.627 -0.000) 5.644 4.170 ( 0.221 1.903 -0.000) 1.916 4.173 ( 5.212 -3.090 -0.000) 6.059 4.245 ( -0.735 -0.670 0.000) 0.994 4.251 ( -1.549 -0.073 0.000) 1.551 4.331 ( 1.432 -0.658 -0.000) 1.576 4.359 ( 1.245 2.712 -0.000) 2.985 4.426 ( 0.417 1.244 -0.000) 1.312 4.481 ( -3.971 0.249 0.000) 3.979 4.570 ( 0.450 1.354 -0.000) 1.427 4.667 ( -1.720 0.917 0.000) 1.949 4.684 ( 0.277 4.339 -0.000) 4.348 4.737 ( 2.781 4.119 -0.000) 4.970 4.825 ( -2.734 0.907 0.000) 2.881 4.915 ( -2.731 -0.122 0.000) 2.734 4.989 ( -5.301 -1.756 0.000) 5.584 4.991 ( -0.342 -1.793 0.000) 1.825 5.010 ( -1.443 -0.608 0.000) 1.566 5.018 ( -0.969 0.928 0.000) 1.342 5.114 ( 0.115 -3.924 0.000) 3.926 5.147 ( 5.572 -0.705 -0.000) 5.616 5.411 ( 5.511 0.052 -0.000) 5.511 5.463 ( 5.321 -1.175 -0.000) 5.449 5.464 ( -5.048 0.542 0.000) 5.077 5.598 ( -10.976 -0.524 0.000) 10.988 5.622 ( -0.737 1.147 -0.000) 1.364 5.884 ( 2.500 -3.046 0.000) 3.940 5.890 ( 3.877 -1.668 -0.000) 4.220 6.165 ( -5.160 -0.472 0.000) 5.181 ======================= Grid point 95 (41/95) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 13.744 0.000 7.916) 15.860 0.825 ( 16.657 0.000 7.723) 18.360 1.045 ( 5.513 -0.000 -7.476) 9.289 1.237 ( 21.554 0.000 21.828) 30.677 1.435 ( 1.081 -0.000 -16.912) 16.947 1.784 ( 3.847 0.000 1.484) 4.123 1.788 ( -0.130 0.000 3.489) 3.491 1.977 ( -0.858 0.000 0.061) 0.860 2.074 ( -1.499 0.000 5.320) 5.527 2.095 ( 1.073 -0.000 -6.316) 6.406 2.158 ( 1.960 0.000 1.530) 2.487 2.220 ( 2.296 -0.000 0.138) 2.300 2.256 ( 1.538 -0.000 -0.793) 1.730 2.282 ( -3.275 -0.000 -1.644) 3.665 2.288 ( 1.039 -0.000 -7.158) 7.233 2.474 ( 0.782 0.000 4.063) 4.138 2.650 ( 0.229 -0.000 -0.001) 0.229 2.771 ( -0.124 -0.000 -9.417) 9.418 2.877 ( -4.774 0.000 2.636) 5.454 2.975 ( -7.116 0.000 -0.082) 7.116 3.015 ( -1.826 0.000 4.094) 4.483 3.120 ( -3.299 -0.000 -1.478) 3.615 3.373 ( 4.055 0.000 2.517) 4.773 3.468 ( 3.432 -0.000 -1.357) 3.691 3.785 ( 0.420 0.000 1.565) 1.620 3.838 ( -0.764 0.000 -0.052) 0.766 3.849 ( 4.122 0.000 2.266) 4.704 3.926 ( 1.503 -0.000 -1.141) 1.887 3.995 ( 1.309 -0.000 -1.312) 1.853 3.997 ( -2.665 -0.000 -1.460) 3.038 4.042 ( -0.101 0.000 0.319) 0.334 4.058 ( -1.042 0.000 2.178) 2.414 4.178 ( 5.283 -0.000 0.685) 5.327 4.221 ( 4.777 -0.000 -1.371) 4.969 4.224 ( -0.449 0.000 5.948) 5.965 4.295 ( -8.667 0.000 6.797) 11.014 4.348 ( -2.976 0.000 1.019) 3.146 4.367 ( -1.075 0.000 -0.259) 1.105 4.416 ( -1.694 -0.000 -1.322) 2.149 4.536 ( -2.636 -0.000 -4.062) 4.842 4.557 ( 0.566 0.000 1.360) 1.473 4.741 ( 2.316 -0.000 -0.360) 2.344 4.789 ( -0.993 0.000 3.331) 3.476 4.796 ( -1.663 0.000 -0.082) 1.665 4.894 ( -0.211 -0.000 -3.315) 3.322 4.909 ( 4.870 -0.000 -1.643) 5.140 4.965 ( -0.189 -0.000 -2.557) 2.564 4.978 ( -2.896 -0.000 -2.377) 3.746 5.054 ( 1.952 -0.000 0.268) 1.971 5.088 ( -0.224 -0.000 -0.700) 0.734 5.143 ( -0.999 0.000 3.012) 3.173 5.151 ( -1.502 0.000 2.389) 2.822 5.238 ( -0.256 0.000 3.800) 3.809 5.303 ( 2.852 -0.000 -0.737) 2.946 5.608 ( 1.281 0.000 1.720) 2.145 5.614 ( -4.090 0.000 0.011) 4.090 5.781 ( 5.482 -0.000 -1.278) 5.629 5.806 ( -3.769 -0.000 -4.952) 6.224 6.052 ( -10.425 0.000 4.868) 11.505 6.223 ( -6.229 -0.000 -4.317) 7.579 ======================= Grid point 97 (42/95) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 6.123 18.709) 19.686 0.910 ( 0.000 18.278 12.572) 22.184 1.139 ( 0.000 19.366 -9.853) 21.728 1.180 ( -0.000 2.695 -18.038) 18.238 1.239 ( 0.000 12.695 25.398) 28.395 1.690 ( -0.000 -2.277 -10.783) 11.021 1.743 ( 0.000 -0.866 3.107) 3.226 1.894 ( -0.000 5.480 -13.293) 14.378 2.051 ( 0.000 -0.829 1.455) 1.675 2.067 ( 0.000 -2.939 1.901) 3.500 2.176 ( -0.000 -2.586 0.179) 2.592 2.190 ( 0.000 3.219 -1.704) 3.642 2.290 ( 0.000 -1.667 3.711) 4.068 2.297 ( 0.000 3.112 2.398) 3.928 2.413 ( 0.000 5.110 3.301) 6.084 2.491 ( 0.000 -0.584 5.532) 5.563 2.564 ( -0.000 -2.363 -2.666) 3.563 2.638 ( -0.000 -0.566 -13.291) 13.303 2.995 ( 0.000 -0.990 0.641) 1.180 3.012 ( -0.000 -3.655 0.514) 3.691 3.142 ( -0.000 -8.758 0.474) 8.771 3.152 ( -0.000 -9.447 -0.450) 9.458 3.269 ( 0.000 5.735 3.109) 6.524 3.301 ( 0.000 2.625 0.668) 2.708 3.729 ( 0.000 0.283 1.114) 1.150 3.755 ( -0.000 -0.788 -1.153) 1.396 3.845 ( -0.000 -2.940 0.957) 3.092 3.865 ( -0.000 -1.138 -0.581) 1.278 3.975 ( 0.000 1.143 1.245) 1.690 3.999 ( -0.000 -1.452 -0.470) 1.526 4.027 ( -0.000 -1.687 0.219) 1.701 4.052 ( -0.000 0.829 -1.974) 2.141 4.155 ( 0.000 3.069 -0.059) 3.070 4.171 ( 0.000 4.247 -1.130) 4.395 4.316 ( 0.000 -1.744 4.133) 4.486 4.357 ( -0.000 -3.263 -1.068) 3.434 4.382 ( 0.000 0.255 5.251) 5.257 4.416 ( 0.000 -2.829 2.346) 3.675 4.476 ( -0.000 -4.182 -3.574) 5.501 4.506 ( -0.000 -0.895 -3.610) 3.719 4.610 ( 0.000 -4.333 2.657) 5.083 4.667 ( -0.000 -3.071 -2.586) 4.015 4.781 ( 0.000 -3.318 2.206) 3.984 4.786 ( 0.000 0.694 1.358) 1.525 4.812 ( -0.000 -2.747 0.456) 2.785 4.833 ( -0.000 -0.393 -1.658) 1.704 4.909 ( -0.000 -1.266 -0.154) 1.275 4.917 ( 0.000 2.170 -0.282) 2.188 5.073 ( 0.000 0.858 1.308) 1.564 5.089 ( 0.000 0.455 -0.153) 0.480 5.168 ( 0.000 -0.120 0.474) 0.489 5.170 ( 0.000 1.756 0.238) 1.772 5.264 ( -0.000 -4.273 2.017) 4.725 5.298 ( -0.000 -2.927 -1.040) 3.106 5.572 ( 0.000 0.274 0.188) 0.332 5.591 ( -0.000 0.574 -0.566) 0.806 5.754 ( 0.000 2.739 1.539) 3.142 5.821 ( -0.000 1.135 -5.139) 5.263 6.325 ( 0.000 0.163 4.441) 4.444 6.381 ( -0.000 -2.474 -0.741) 2.583 ======================= Grid point 98 (43/95) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -5.741 4.757 11.277) 13.519 1.166 ( -7.331 7.937 2.326) 11.052 1.212 ( -5.340 8.600 -1.398) 10.219 1.299 ( -2.281 14.462 -8.965) 17.168 1.507 ( -1.547 5.629 6.747) 8.922 1.677 ( -5.172 6.456 -1.101) 8.345 1.778 ( -2.303 -0.877 4.971) 5.548 1.907 ( -2.539 4.711 -12.001) 13.140 2.031 ( 0.491 -1.726 0.640) 1.905 2.057 ( -1.322 -4.204 1.074) 4.536 2.137 ( 1.572 0.964 1.046) 2.120 2.216 ( 0.491 0.389 -1.149) 1.308 2.284 ( 1.055 0.651 1.295) 1.793 2.336 ( -1.304 1.630 0.243) 2.102 2.471 ( 2.533 5.390 4.506) 7.468 2.507 ( -1.061 -2.638 1.992) 3.471 2.560 ( -0.200 2.179 -5.393) 5.820 2.599 ( -3.186 0.462 -3.050) 4.435 2.890 ( 5.110 -7.766 -0.508) 9.310 3.005 ( 0.969 -2.513 0.137) 2.697 3.009 ( 0.083 -12.079 -0.024) 12.079 3.039 ( 0.152 -7.686 -0.192) 7.690 3.330 ( 0.350 3.355 1.140) 3.561 3.365 ( -1.717 3.298 0.824) 3.808 3.755 ( -2.278 -0.829 0.283) 2.441 3.768 ( -2.507 -0.607 -0.426) 2.614 3.815 ( 1.063 -1.053 0.604) 1.614 3.864 ( -1.239 0.088 -0.617) 1.387 3.963 ( 0.824 -1.136 0.240) 1.424 3.990 ( 1.939 -0.880 -0.212) 2.140 4.016 ( -1.960 0.735 0.152) 2.099 4.078 ( -1.558 1.179 -0.905) 2.153 4.188 ( 1.045 3.351 0.032) 3.510 4.207 ( -0.501 2.329 -0.564) 2.448 4.294 ( 1.588 -1.977 1.156) 2.787 4.314 ( 0.677 -2.789 -0.473) 2.909 4.364 ( 2.170 -1.085 0.963) 2.610 4.403 ( 2.517 -0.051 1.093) 2.744 4.438 ( -1.447 -3.386 0.129) 3.685 4.471 ( 0.902 -0.407 0.261) 1.024 4.603 ( 1.491 -1.029 -0.583) 1.903 4.621 ( -1.464 -1.958 0.972) 2.631 4.668 ( 3.167 -2.906 -0.641) 4.345 4.768 ( 1.397 -1.612 0.842) 2.293 4.817 ( -0.805 -1.500 -1.167) 2.064 4.892 ( -2.679 -0.579 1.904) 3.337 4.903 ( -0.941 -1.243 0.064) 1.560 4.928 ( -0.044 1.592 -0.867) 1.814 5.094 ( -0.778 -0.746 0.307) 1.121 5.132 ( -5.133 0.010 0.835) 5.201 5.177 ( -1.226 -0.089 0.796) 1.464 5.187 ( -0.539 0.690 -0.956) 1.296 5.216 ( 2.445 -3.777 1.485) 4.738 5.261 ( -0.339 0.434 -1.415) 1.518 5.528 ( 1.937 -2.236 -0.676) 3.035 5.614 ( -1.129 -1.717 0.645) 2.153 5.755 ( 3.156 0.807 -1.588) 3.624 5.856 ( -4.250 2.284 -0.174) 4.828 6.281 ( 6.386 -1.322 2.269) 6.904 6.297 ( 5.718 -2.649 -0.711) 6.342 ======================= Grid point 99 (44/95) ======================= q-point: ( 0.75 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -7.677 2.779 0.000) 8.164 1.378 ( -7.196 8.561 -0.000) 11.184 1.423 ( -6.700 6.237 0.000) 9.154 1.434 ( 0.586 9.822 -0.000) 9.839 1.516 ( -5.163 -5.448 0.000) 7.505 1.808 ( -6.296 -4.280 0.000) 7.612 1.880 ( -1.948 1.663 0.000) 2.561 1.914 ( 0.424 -0.028 -0.000) 0.425 2.024 ( -0.866 2.159 -0.000) 2.326 2.043 ( -2.302 -3.296 0.000) 4.020 2.146 ( -1.968 -2.809 0.000) 3.430 2.193 ( 0.958 -0.491 -0.000) 1.077 2.308 ( 0.216 5.563 -0.000) 5.567 2.392 ( -1.476 4.970 -0.000) 5.185 2.484 ( 3.297 3.423 -0.000) 4.753 2.546 ( 2.497 2.258 -0.000) 3.366 2.547 ( -5.784 -0.815 0.000) 5.842 2.666 ( -2.739 1.267 0.000) 3.018 2.694 ( 3.961 -11.701 0.000) 12.353 2.832 ( 2.284 -12.739 0.000) 12.942 2.972 ( 0.389 -3.555 0.000) 3.576 2.976 ( 0.719 -2.829 0.000) 2.919 3.358 ( 1.970 5.054 -0.000) 5.425 3.422 ( -0.005 4.125 -0.000) 4.125 3.772 ( -1.836 -1.686 0.000) 2.493 3.792 ( -1.403 -1.346 0.000) 1.944 3.800 ( -0.192 0.136 0.000) 0.235 3.902 ( -1.128 2.889 -0.000) 3.101 3.940 ( 0.263 -1.552 0.000) 1.574 3.962 ( 0.548 -0.227 -0.000) 0.594 4.067 ( -2.528 1.721 0.000) 3.058 4.099 ( -0.103 0.793 -0.000) 0.799 4.173 ( 3.555 0.306 -0.000) 3.568 4.241 ( -1.556 0.647 0.000) 1.685 4.255 ( 1.314 -0.763 -0.000) 1.519 4.260 ( 0.909 -2.872 0.000) 3.013 4.348 ( 1.785 1.886 -0.000) 2.597 4.370 ( 2.343 1.341 -0.000) 2.700 4.416 ( -2.134 -4.522 0.000) 5.000 4.459 ( 2.038 1.117 -0.000) 2.324 4.560 ( 4.130 3.648 -0.000) 5.510 4.629 ( -0.570 -1.154 0.000) 1.287 4.646 ( -3.222 -2.687 0.000) 4.195 4.740 ( 1.802 0.750 -0.000) 1.952 4.812 ( -0.612 -0.900 0.000) 1.088 4.889 ( -1.630 -1.992 0.000) 2.574 4.899 ( 1.756 0.864 -0.000) 1.957 4.965 ( -3.048 -1.060 0.000) 3.227 5.065 ( 0.979 -2.931 0.000) 3.090 5.108 ( 3.079 -5.400 0.000) 6.216 5.199 ( 0.337 0.771 -0.000) 0.842 5.224 ( -1.349 2.060 -0.000) 2.462 5.254 ( -7.923 1.464 0.000) 8.058 5.298 ( -2.471 1.580 0.000) 2.934 5.477 ( -0.336 -3.661 0.000) 3.676 5.598 ( -0.084 -1.997 0.000) 1.998 5.688 ( 5.235 0.054 -0.000) 5.236 5.953 ( -4.947 1.101 0.000) 5.068 6.147 ( 8.383 -2.230 -0.000) 8.675 6.164 ( 6.765 -2.321 -0.000) 7.152 ======================= Grid point 104 (45/95) ======================= q-point: ( 0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 11.393 -10.503 5.217) 16.350 1.104 ( 11.590 -4.678 2.494) 12.745 1.186 ( 8.293 -11.836 -6.471) 15.835 1.364 ( -0.259 -1.455 -11.733) 11.826 1.618 ( 10.956 -0.930 15.479) 18.987 1.825 ( 3.450 2.051 3.433) 5.282 1.883 ( 5.696 -3.267 5.078) 8.301 1.936 ( -4.246 -1.414 -0.672) 4.526 2.047 ( -2.249 1.729 -4.309) 5.159 2.096 ( -2.496 -2.772 2.513) 4.498 2.146 ( -1.750 1.924 1.786) 3.155 2.210 ( -3.796 -0.050 -1.681) 4.152 2.250 ( 5.001 1.877 -5.341) 7.553 2.310 ( 4.069 0.277 2.375) 4.719 2.331 ( 4.399 -3.073 -5.157) 7.442 2.470 ( -1.095 -0.277 -0.225) 1.152 2.646 ( -0.588 0.919 1.752) 2.063 2.758 ( 2.435 0.987 -3.473) 4.355 2.806 ( -4.743 0.397 -0.186) 4.763 2.871 ( -7.687 -2.876 -0.172) 8.209 2.981 ( -3.234 2.719 1.395) 4.449 3.047 ( -4.883 -0.281 -0.885) 4.970 3.429 ( 3.345 2.549 2.004) 4.659 3.480 ( 2.268 4.116 -1.081) 4.822 3.789 ( -0.501 0.130 2.083) 2.146 3.827 ( -1.028 -0.624 0.636) 1.360 3.899 ( 1.017 2.797 -0.673) 3.052 3.938 ( 0.737 -0.187 -0.319) 0.824 3.964 ( -0.178 0.114 -1.043) 1.064 4.001 ( 1.983 0.630 -1.660) 2.661 4.052 ( 0.829 -0.619 0.408) 1.112 4.071 ( -0.587 -1.492 4.249) 4.541 4.157 ( -2.817 5.961 1.889) 6.859 4.241 ( -1.718 -0.535 2.340) 2.952 4.252 ( 1.993 1.964 1.943) 3.406 4.290 ( 1.674 0.969 -0.011) 1.935 4.313 ( -3.078 -0.185 -1.745) 3.543 4.333 ( 0.347 -1.183 -0.452) 1.313 4.399 ( -0.331 -0.201 0.309) 0.495 4.480 ( -1.914 -0.372 -2.962) 3.546 4.560 ( 0.311 1.690 0.583) 1.815 4.700 ( -2.559 1.626 -3.117) 4.349 4.759 ( -1.400 3.257 -0.072) 3.546 4.814 ( 1.437 1.160 3.385) 3.856 4.871 ( -0.906 1.530 -0.915) 2.000 4.896 ( 0.550 4.529 -0.777) 4.628 4.962 ( -2.751 -4.595 -0.679) 5.398 5.012 ( 4.502 -2.720 -0.670) 5.302 5.044 ( -1.434 0.503 -0.252) 1.541 5.072 ( -2.009 -0.150 0.257) 2.030 5.112 ( -2.621 0.659 1.366) 3.028 5.145 ( -2.567 -1.145 2.230) 3.588 5.314 ( 6.533 -0.825 2.325) 6.983 5.370 ( 6.092 0.323 -0.853) 6.160 5.536 ( -6.162 -1.213 0.141) 6.282 5.604 ( -3.424 0.526 -2.087) 4.044 5.739 ( 0.620 2.205 -0.146) 2.295 5.847 ( -1.775 -0.816 2.948) 3.536 5.951 ( -4.217 -3.762 2.832) 6.321 6.107 ( -5.623 -1.224 -7.577) 9.514 ======================= Grid point 105 (46/95) ======================= q-point: ( 0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 10.958 0.000 9.574) 14.552 0.921 ( 10.772 0.000 5.147) 11.938 0.968 ( 6.865 -0.000 -1.816) 7.101 1.258 ( 3.218 -0.000 -16.757) 17.063 1.478 ( 17.820 0.000 23.553) 29.535 1.804 ( 4.192 0.000 2.071) 4.676 1.819 ( 1.738 0.000 1.966) 2.625 1.912 ( 5.298 -0.000 -13.100) 14.131 2.042 ( -0.503 -0.000 -3.248) 3.287 2.085 ( 2.461 -0.000 -7.620) 8.008 2.154 ( -1.186 0.000 5.748) 5.869 2.207 ( -2.144 0.000 1.853) 2.833 2.241 ( 0.713 -0.000 -1.896) 2.026 2.262 ( -2.941 -0.000 -2.495) 3.857 2.338 ( 0.284 0.000 9.002) 9.006 2.492 ( -2.154 -0.000 -1.635) 2.704 2.646 ( 1.821 -0.000 -0.506) 1.890 2.681 ( 3.409 -0.000 -6.625) 7.451 2.910 ( -5.744 0.000 3.377) 6.663 2.967 ( -6.951 0.000 -1.568) 7.125 3.051 ( -2.987 0.000 2.980) 4.219 3.101 ( -3.275 -0.000 -2.002) 3.839 3.402 ( 4.034 0.000 2.794) 4.907 3.452 ( 3.598 -0.000 -1.791) 4.019 3.802 ( 1.427 0.000 1.672) 2.199 3.833 ( 0.214 -0.000 -0.895) 0.920 3.874 ( 2.281 0.000 2.357) 3.280 3.912 ( 1.737 -0.000 -1.401) 2.232 3.982 ( 0.243 -0.000 -0.990) 1.020 3.983 ( -2.194 -0.000 -1.111) 2.460 4.048 ( -0.196 0.000 0.839) 0.862 4.066 ( 0.386 -0.000 -0.278) 0.476 4.186 ( 6.007 -0.000 0.782) 6.058 4.206 ( 5.829 -0.000 -1.295) 5.971 4.288 ( -1.863 0.000 5.925) 6.210 4.344 ( -6.470 0.000 1.323) 6.604 4.360 ( -5.446 0.000 1.301) 5.600 4.364 ( -2.648 0.000 -0.290) 2.663 4.423 ( -2.836 0.000 2.747) 3.948 4.494 ( -2.697 -0.000 -3.759) 4.626 4.578 ( 0.268 0.000 3.208) 3.220 4.698 ( -0.642 -0.000 -6.246) 6.278 4.813 ( 0.841 0.000 1.939) 2.114 4.817 ( -0.168 0.000 1.776) 1.784 4.878 ( 0.930 -0.000 0.078) 0.934 4.894 ( 3.946 -0.000 -1.004) 4.071 4.941 ( -0.042 -0.000 -1.760) 1.760 4.952 ( -1.527 -0.000 -2.406) 2.850 5.060 ( 0.562 0.000 0.830) 1.003 5.080 ( 0.138 -0.000 -0.908) 0.918 5.169 ( -0.785 0.000 1.937) 2.090 5.173 ( -1.697 0.000 1.624) 2.349 5.269 ( 0.039 0.000 2.090) 2.090 5.295 ( 2.177 -0.000 -0.872) 2.345 5.617 ( -3.463 0.000 0.690) 3.531 5.624 ( 1.073 0.000 1.044) 1.498 5.765 ( -1.330 -0.000 -2.636) 2.953 5.766 ( 5.603 -0.000 -1.535) 5.809 6.100 ( -10.917 0.000 4.180) 11.690 6.180 ( -8.999 -0.000 -3.878) 9.799 ======================= Grid point 107 (47/95) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -0.000 3.384 -18.037) 18.352 0.983 ( 0.000 3.384 18.037) 18.352 1.032 ( 0.000 20.324 -9.963) 22.635 1.032 ( 0.000 20.324 9.963) 22.635 1.504 ( -0.000 5.003 -23.482) 24.009 1.504 ( 0.000 5.003 23.482) 24.009 1.790 ( -0.000 1.390 -6.376) 6.526 1.790 ( 0.000 1.390 6.376) 6.526 2.068 ( -0.000 -1.239 -1.213) 1.734 2.068 ( 0.000 -1.239 1.213) 1.734 2.179 ( -0.000 -0.462 -0.216) 0.510 2.179 ( 0.000 -0.462 0.216) 0.510 2.314 ( 0.000 1.244 -0.080) 1.247 2.314 ( 0.000 1.244 0.080) 1.247 2.491 ( -0.000 1.313 -10.887) 10.966 2.491 ( 0.000 1.313 10.887) 10.966 2.542 ( -0.000 -0.834 -4.525) 4.601 2.542 ( 0.000 -0.834 4.525) 4.601 3.006 ( -0.000 -2.726 -0.916) 2.876 3.006 ( 0.000 -2.726 0.916) 2.876 3.147 ( -0.000 -9.088 -0.472) 9.101 3.147 ( -0.000 -9.088 0.472) 9.101 3.295 ( 0.000 4.261 -1.602) 4.552 3.295 ( 0.000 4.261 1.602) 4.552 3.742 ( -0.000 -0.248 -1.291) 1.314 3.742 ( 0.000 -0.248 1.291) 1.314 3.856 ( -0.000 -2.297 -0.973) 2.495 3.856 ( 0.000 -2.297 0.973) 2.495 3.990 ( -0.000 -0.162 -1.231) 1.242 3.990 ( 0.000 -0.162 1.231) 1.242 4.034 ( -0.000 -0.565 -0.977) 1.129 4.034 ( 0.000 -0.565 0.977) 1.129 4.160 ( 0.000 3.712 -0.895) 3.818 4.160 ( 0.000 3.712 0.895) 3.818 4.343 ( -0.000 -3.236 -1.701) 3.656 4.343 ( -0.000 -3.236 1.701) 3.656 4.439 ( -0.000 -3.300 -3.590) 4.876 4.439 ( 0.000 -3.300 3.590) 4.876 4.454 ( -0.000 0.534 -5.623) 5.648 4.454 ( 0.000 0.534 5.623) 5.648 4.639 ( -0.000 -4.153 -2.761) 4.987 4.639 ( 0.000 -4.153 2.761) 4.987 4.793 ( -0.000 -1.168 -0.006) 1.168 4.793 ( 0.000 -1.168 0.006) 1.168 4.819 ( -0.000 -1.623 -0.923) 1.867 4.819 ( 0.000 -1.623 0.923) 1.867 4.913 ( -0.000 1.025 -0.592) 1.183 4.913 ( 0.000 1.025 0.592) 1.183 5.084 ( -0.000 0.883 -0.795) 1.188 5.084 ( 0.000 0.883 0.795) 1.188 5.171 ( 0.000 0.544 -0.111) 0.555 5.171 ( 0.000 0.544 0.111) 0.555 5.284 ( -0.000 -4.077 -1.708) 4.420 5.284 ( -0.000 -4.077 1.708) 4.420 5.581 ( -0.000 0.619 -0.808) 1.018 5.581 ( 0.000 0.619 0.808) 1.018 5.778 ( -0.000 1.918 -3.024) 3.581 5.778 ( 0.000 1.918 3.024) 3.581 6.363 ( -0.000 -1.021 -2.712) 2.897 6.363 ( 0.000 -1.021 2.712) 2.897 ======================= Grid point 113 (48/95) ======================= q-point: ( 0.25 0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 5.876 -2.476 1.849) 6.639 1.302 ( -1.947 -4.206 -5.478) 7.175 1.318 ( 5.150 -10.033 -2.021) 11.457 1.493 ( 10.028 -11.366 -0.702) 15.174 1.768 ( -0.680 -2.818 6.946) 7.526 1.836 ( -3.466 0.358 1.142) 3.667 1.879 ( 0.082 -0.800 1.290) 1.520 1.951 ( -3.144 -0.147 -4.963) 5.877 2.010 ( 0.443 0.671 2.008) 2.163 2.079 ( -6.566 -4.931 0.621) 8.235 2.141 ( -5.369 -1.942 -0.459) 5.728 2.182 ( 2.905 -2.127 7.434) 8.260 2.265 ( 0.915 1.088 -3.234) 3.533 2.360 ( 4.594 1.825 -1.309) 5.113 2.432 ( 9.065 -0.223 -4.662) 10.196 2.486 ( 2.705 1.676 0.307) 3.197 2.633 ( -1.724 0.573 3.217) 3.695 2.702 ( -4.117 0.680 -1.345) 4.385 2.768 ( -4.269 -1.900 2.109) 5.127 2.830 ( -0.546 -4.574 -4.213) 6.242 2.876 ( -4.433 4.501 1.604) 6.518 2.983 ( -2.345 0.851 -0.207) 2.503 3.430 ( 2.208 7.041 -0.384) 7.389 3.450 ( 1.472 4.642 -0.119) 4.871 3.789 ( -0.293 0.250 0.804) 0.891 3.830 ( -0.846 -1.586 1.193) 2.158 3.869 ( -0.996 1.160 0.829) 1.739 3.934 ( -0.317 0.652 -1.337) 1.521 3.953 ( 1.478 2.587 -0.103) 2.981 4.000 ( -0.401 1.832 -0.552) 1.955 4.050 ( -2.423 2.451 0.608) 3.500 4.080 ( 0.659 -0.234 1.254) 1.436 4.129 ( 1.670 -1.900 -1.113) 2.764 4.206 ( -2.984 -0.807 -3.707) 4.826 4.249 ( -0.468 0.063 1.461) 1.535 4.257 ( -1.559 -0.739 0.523) 1.803 4.323 ( 2.734 1.891 1.547) 3.667 4.358 ( 1.204 2.052 1.048) 2.599 4.406 ( 1.361 0.550 -0.179) 1.479 4.458 ( -0.451 -0.751 -0.684) 1.112 4.540 ( 0.180 1.993 -1.112) 2.289 4.643 ( -1.775 0.663 -0.064) 1.896 4.685 ( -2.599 1.915 -2.511) 4.090 4.793 ( -2.694 3.519 0.509) 4.461 4.851 ( 1.095 2.094 1.746) 2.938 4.863 ( 0.021 1.236 -0.342) 1.282 4.968 ( -0.516 -1.199 -0.044) 1.306 5.013 ( -3.532 -1.028 0.238) 3.686 5.024 ( -1.876 0.047 0.689) 1.999 5.069 ( -1.726 0.818 0.521) 1.980 5.135 ( 1.300 -2.723 1.227) 3.257 5.150 ( 4.173 -1.087 -0.073) 4.313 5.404 ( -1.097 -0.666 0.745) 1.484 5.435 ( -0.402 0.230 -1.622) 1.687 5.482 ( -1.097 -1.391 0.072) 1.773 5.517 ( -1.740 -2.214 -1.530) 3.205 5.755 ( 4.607 4.080 -1.840) 6.423 5.803 ( -3.632 -0.946 8.530) 9.319 5.998 ( -3.745 -1.074 -8.953) 9.764 6.030 ( 1.453 -6.189 2.243) 6.741 ======================= Grid point 114 (49/95) ======================= q-point: ( 0.38 0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 9.550 -10.003 5.320) 14.818 1.115 ( 7.529 -12.475 -5.007) 15.407 1.154 ( 8.594 -3.658 5.160) 10.671 1.250 ( 3.908 -3.363 -9.314) 10.646 1.768 ( 4.444 -0.256 12.070) 12.864 1.854 ( 1.981 -0.001 -0.139) 1.986 1.882 ( 3.815 3.295 -3.101) 5.918 1.962 ( 2.493 -1.393 1.369) 3.167 2.016 ( 1.067 -1.274 4.436) 4.737 2.120 ( 4.853 0.372 -9.297) 10.495 2.141 ( -3.959 -0.002 2.083) 4.473 2.188 ( 4.929 0.220 -0.063) 4.935 2.200 ( -4.245 -1.967 -0.491) 4.704 2.254 ( -0.137 -3.125 -4.142) 5.190 2.376 ( 1.154 2.930 3.574) 4.764 2.459 ( 0.255 -1.480 -1.378) 2.038 2.671 ( 0.907 0.654 2.998) 3.200 2.716 ( 3.213 -0.035 -3.936) 5.081 2.808 ( -5.786 1.917 0.199) 6.098 2.871 ( -8.006 -3.602 0.104) 8.779 2.992 ( -3.897 3.263 0.620) 5.121 3.039 ( -3.859 -0.173 -0.563) 3.903 3.449 ( 2.616 3.007 1.724) 4.343 3.468 ( 2.169 3.175 -1.345) 4.074 3.807 ( -0.575 0.709 0.996) 1.351 3.831 ( -0.701 -1.113 0.163) 1.325 3.894 ( 0.616 2.377 -0.261) 2.470 3.936 ( 0.552 -0.856 -0.060) 1.020 3.957 ( 0.140 1.585 -0.223) 1.606 3.982 ( 1.594 0.075 -1.327) 2.075 4.063 ( 1.171 -0.175 1.587) 1.980 4.083 ( 1.808 -0.568 -1.037) 2.161 4.190 ( -3.977 6.851 2.929) 8.446 4.252 ( -4.057 0.559 0.531) 4.129 4.278 ( 0.998 1.193 1.339) 2.052 4.286 ( -2.712 -0.603 -0.929) 2.929 4.295 ( 0.538 0.253 -0.417) 0.726 4.332 ( 1.014 -1.516 -0.152) 1.830 4.409 ( -0.589 0.446 1.155) 1.371 4.453 ( -1.351 -1.324 -1.779) 2.596 4.570 ( -0.283 2.964 1.042) 3.154 4.662 ( -2.065 -2.266 -3.003) 4.292 4.759 ( -1.997 5.604 0.028) 5.949 4.837 ( 0.084 0.946 0.950) 1.343 4.872 ( 0.192 2.352 0.559) 2.425 4.891 ( 2.017 4.414 -0.164) 4.856 4.955 ( -2.713 -4.867 -0.446) 5.590 5.003 ( 4.436 -3.582 -0.578) 5.731 5.046 ( -1.107 0.458 0.284) 1.231 5.073 ( -1.510 -0.711 -0.015) 1.669 5.123 ( -2.774 1.383 0.537) 3.146 5.161 ( -2.902 -1.070 0.806) 3.196 5.337 ( 6.217 -0.176 2.029) 6.542 5.358 ( 6.624 0.108 -1.457) 6.783 5.546 ( -6.924 -1.287 1.885) 7.291 5.575 ( -6.070 -0.618 -3.065) 6.828 5.744 ( 4.156 5.949 0.587) 7.281 5.878 ( 1.938 -4.688 2.296) 5.568 5.976 ( -7.243 -1.918 2.152) 7.796 6.035 ( -7.249 -2.009 -5.406) 9.263 ======================= Grid point 115 (50/95) ======================= q-point: (-0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 8.699 -0.000 -9.730) 13.052 0.847 ( 8.699 0.000 9.730) 13.052 1.089 ( 6.211 -0.000 -15.230) 16.448 1.089 ( 6.211 0.000 15.230) 16.448 1.718 ( 13.692 -0.000 -21.812) 25.753 1.718 ( 13.692 0.000 21.812) 25.753 1.823 ( 3.256 -0.000 -0.779) 3.348 1.823 ( 3.256 0.000 0.779) 3.348 2.034 ( -1.442 -0.000 -1.827) 2.328 2.034 ( -1.442 0.000 1.827) 2.328 2.212 ( -0.377 -0.000 -3.839) 3.857 2.212 ( -0.377 0.000 3.839) 3.857 2.232 ( -2.620 -0.000 -2.649) 3.726 2.232 ( -2.620 0.000 2.649) 3.726 2.434 ( -1.837 -0.000 -8.377) 8.576 2.434 ( -1.837 0.000 8.377) 8.576 2.645 ( 3.788 -0.000 -0.833) 3.878 2.645 ( 3.788 -0.000 0.833) 3.878 2.943 ( -6.475 0.000 -2.130) 6.816 2.943 ( -6.475 0.000 2.130) 6.816 3.079 ( -3.317 0.000 -2.027) 3.888 3.079 ( -3.317 0.000 2.027) 3.888 3.430 ( 3.815 -0.000 -2.402) 4.508 3.430 ( 3.815 0.000 2.402) 4.508 3.820 ( 1.187 -0.000 -1.494) 1.908 3.820 ( 1.187 0.000 1.494) 1.908 3.896 ( 1.686 -0.000 -1.500) 2.257 3.896 ( 1.686 0.000 1.500) 2.257 3.977 ( -1.094 0.000 -0.001) 1.094 3.977 ( -1.094 0.000 0.001) 1.094 4.058 ( 0.161 -0.000 -1.036) 1.048 4.058 ( 0.161 0.000 1.036) 1.048 4.195 ( 6.245 0.000 -0.400) 6.258 4.195 ( 6.245 0.000 0.400) 6.258 4.337 ( -3.261 0.000 -2.497) 4.107 4.337 ( -3.261 0.000 2.497) 4.107 4.363 ( -4.560 0.000 -0.043) 4.560 4.363 ( -4.560 0.000 0.043) 4.560 4.457 ( -3.287 0.000 -3.007) 4.455 4.457 ( -3.287 0.000 3.007) 4.455 4.629 ( -0.935 -0.000 -5.687) 5.763 4.629 ( -0.935 0.000 5.687) 5.763 4.825 ( 0.841 0.000 -0.037) 0.841 4.825 ( 0.841 0.000 0.037) 0.841 4.886 ( 2.440 0.000 -0.269) 2.454 4.886 ( 2.440 0.000 0.269) 2.454 4.934 ( -0.663 0.000 -0.110) 0.672 4.934 ( -0.663 0.000 0.110) 0.672 5.070 ( 0.233 -0.000 -0.595) 0.639 5.070 ( 0.233 0.000 0.595) 0.639 5.181 ( -1.214 0.000 -0.029) 1.215 5.181 ( -1.214 0.000 0.029) 1.215 5.285 ( 0.992 -0.000 -1.080) 1.466 5.285 ( 0.992 0.000 1.080) 1.466 5.626 ( -1.373 0.000 -0.524) 1.470 5.626 ( -1.373 0.000 0.524) 1.470 5.754 ( 2.865 0.000 -0.042) 2.866 5.754 ( 2.865 0.000 0.042) 2.866 6.141 ( -10.613 -0.000 -3.730) 11.249 6.141 ( -10.613 0.000 3.730) 11.249 ======================= Grid point 122 (51/95) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -3.788 3.807 -0.071) 5.371 1.244 ( -7.339 -0.329 -3.389) 8.090 1.453 ( 2.957 -1.657 0.794) 3.482 1.600 ( -5.490 -0.901 -0.638) 5.600 1.800 ( 3.862 -3.264 3.171) 5.968 1.848 ( -4.753 -5.911 -0.452) 7.599 1.874 ( -0.935 -1.182 -0.415) 1.563 1.961 ( -3.692 -1.344 0.586) 3.972 1.994 ( -2.371 -1.321 2.572) 3.739 2.061 ( -1.842 -6.247 -3.407) 7.350 2.066 ( -5.224 -2.197 -0.687) 5.709 2.215 ( 0.164 1.658 4.456) 4.758 2.288 ( 1.301 -5.086 -0.487) 5.272 2.343 ( -0.696 3.749 -4.320) 5.762 2.473 ( 1.492 6.936 -0.327) 7.102 2.502 ( 3.442 7.724 -0.968) 8.511 2.637 ( 1.564 -4.933 0.430) 5.193 2.686 ( 1.321 -1.319 0.495) 1.931 2.756 ( -2.612 -0.538 2.395) 3.585 2.811 ( -3.139 -5.465 1.978) 6.606 2.883 ( 0.898 -5.763 -1.866) 6.124 2.968 ( 1.976 0.762 0.354) 2.147 3.363 ( 1.398 8.292 -0.416) 8.419 3.411 ( 0.516 5.097 -0.916) 5.204 3.790 ( 0.127 -0.397 0.332) 0.533 3.833 ( -2.284 -1.939 0.596) 3.055 3.850 ( -1.510 0.506 1.885) 2.467 3.898 ( 0.032 3.457 -2.407) 4.212 3.945 ( -0.406 1.802 1.367) 2.298 3.968 ( -1.577 -1.006 -0.431) 1.919 4.036 ( 4.130 0.789 -1.448) 4.447 4.083 ( -1.911 -0.368 -0.333) 1.974 4.151 ( 0.481 -1.191 -1.268) 1.805 4.174 ( -0.872 -0.924 -0.619) 1.413 4.262 ( 0.166 -1.136 0.052) 1.150 4.265 ( 0.749 -0.747 0.767) 1.307 4.334 ( 0.842 2.872 1.463) 3.331 4.340 ( 0.236 2.637 -0.095) 2.649 4.426 ( 2.061 1.020 1.008) 2.511 4.467 ( 0.824 0.632 0.440) 1.128 4.518 ( -0.394 -0.108 -2.097) 2.136 4.616 ( -2.430 -0.610 -0.821) 2.636 4.639 ( 0.678 0.744 -0.197) 1.026 4.719 ( -1.722 2.245 0.123) 2.832 4.850 ( 0.722 1.600 0.499) 1.825 4.854 ( -0.912 -1.355 -0.680) 1.769 4.961 ( -3.191 -0.793 0.988) 3.433 4.976 ( -1.525 0.437 0.203) 1.600 5.015 ( 0.398 -2.034 -0.235) 2.086 5.050 ( -0.743 -1.005 -0.042) 1.250 5.167 ( 1.000 -0.907 0.025) 1.350 5.215 ( 1.100 2.287 -0.084) 2.539 5.325 ( -7.139 -0.810 -1.190) 7.283 5.402 ( -1.915 -5.423 0.511) 5.774 5.447 ( -2.663 3.200 -0.296) 4.173 5.604 ( 5.727 -1.723 0.645) 6.015 5.766 ( -1.010 -1.291 2.527) 3.012 5.867 ( 2.491 -0.001 2.142) 3.286 5.935 ( 3.991 0.435 -5.937) 7.167 6.134 ( 1.442 -6.026 1.175) 6.307 ======================= Grid point 123 (52/95) ======================= q-point: (-0.62 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 4.424 -0.275 -0.000) 4.432 1.253 ( -0.633 -5.879 0.000) 5.913 1.313 ( 5.034 -10.238 0.000) 11.409 1.489 ( 10.278 -13.292 0.000) 16.802 1.814 ( -6.260 0.354 0.000) 6.270 1.843 ( -2.191 -3.464 0.000) 4.099 1.890 ( 0.882 2.365 -0.000) 2.524 1.911 ( 1.317 -1.219 -0.000) 1.794 2.022 ( -1.815 1.289 0.000) 2.226 2.083 ( -6.662 -4.403 0.000) 7.985 2.140 ( -6.441 -2.691 0.000) 6.980 2.241 ( 3.954 3.843 -0.000) 5.514 2.255 ( -1.406 -5.209 0.000) 5.395 2.316 ( 7.130 0.212 -0.000) 7.133 2.415 ( 9.390 1.585 -0.000) 9.523 2.488 ( 2.683 2.180 -0.000) 3.458 2.667 ( -4.795 1.708 0.000) 5.090 2.682 ( -0.574 0.142 0.000) 0.592 2.791 ( -7.914 -5.144 0.000) 9.438 2.793 ( 2.561 -2.638 -0.000) 3.676 2.885 ( -3.683 4.357 -0.000) 5.705 2.982 ( -2.039 1.149 0.000) 2.340 3.427 ( 1.740 7.185 -0.000) 7.393 3.449 ( 1.196 4.280 -0.000) 4.444 3.793 ( -0.362 0.515 -0.000) 0.629 3.837 ( -0.946 -1.977 0.000) 2.192 3.875 ( -0.437 0.817 -0.000) 0.926 3.922 ( -0.475 1.685 -0.000) 1.750 3.959 ( 2.085 2.001 -0.000) 2.890 3.988 ( 0.535 2.487 -0.000) 2.544 4.058 ( -3.942 3.080 0.000) 5.003 4.089 ( 0.888 -0.196 -0.000) 0.910 4.123 ( 0.709 -1.204 0.000) 1.397 4.181 ( -4.211 -2.585 0.000) 4.941 4.251 ( -0.950 -1.368 0.000) 1.666 4.270 ( -1.281 0.273 0.000) 1.310 4.327 ( 3.275 2.057 -0.000) 3.867 4.369 ( 2.115 2.393 -0.000) 3.193 4.405 ( 1.044 0.601 -0.000) 1.205 4.454 ( 0.207 -0.884 0.000) 0.908 4.533 ( -0.634 2.226 -0.000) 2.315 4.642 ( -2.530 -1.560 0.000) 2.973 4.670 ( -1.853 3.447 -0.000) 3.914 4.795 ( -2.595 3.485 -0.000) 4.345 4.861 ( 1.061 2.461 -0.000) 2.680 4.862 ( -0.330 1.347 -0.000) 1.387 4.968 ( 0.173 -1.157 0.000) 1.170 5.014 ( -3.598 -0.675 0.000) 3.660 5.027 ( -1.901 -0.512 0.000) 1.969 5.071 ( -2.031 0.772 0.000) 2.173 5.145 ( -0.799 -1.750 0.000) 1.924 5.147 ( 6.586 -1.467 -0.000) 6.748 5.415 ( -0.899 -1.289 0.000) 1.572 5.419 ( -3.307 1.041 0.000) 3.467 5.482 ( -0.734 -1.611 0.000) 1.770 5.509 ( 0.100 -2.989 0.000) 2.990 5.746 ( 4.537 4.878 -0.000) 6.662 5.887 ( -3.728 -0.826 0.000) 3.819 5.912 ( -3.439 -1.446 0.000) 3.730 6.042 ( 1.470 -6.472 0.000) 6.637 ======================= Grid point 131 (53/95) ======================= q-point: ( 0.25 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -13.849 7.953 0.000) 15.970 1.023 ( -12.168 7.716 0.000) 14.408 1.465 ( 0.518 6.104 -0.000) 6.126 1.542 ( -3.641 -2.687 0.000) 4.525 1.742 ( -6.335 7.027 0.000) 9.461 1.823 ( -9.053 3.786 0.000) 9.813 1.850 ( -3.441 -1.292 0.000) 3.675 1.900 ( 2.173 -1.140 -0.000) 2.454 1.964 ( -5.402 -3.825 0.000) 6.619 2.039 ( -2.112 2.259 0.000) 3.092 2.071 ( 0.224 -5.876 0.000) 5.881 2.267 ( 1.787 -2.126 0.000) 2.777 2.302 ( 2.265 2.297 -0.000) 3.225 2.392 ( -0.450 7.710 -0.000) 7.723 2.404 ( 5.487 -0.161 -0.000) 5.490 2.463 ( 0.913 -1.422 0.000) 1.690 2.688 ( -1.627 5.166 -0.000) 5.416 2.743 ( 2.048 -6.898 0.000) 7.196 2.749 ( 2.534 -2.806 -0.000) 3.781 2.896 ( -1.014 -11.328 0.000) 11.373 2.945 ( -1.938 -8.495 0.000) 8.713 3.024 ( 3.977 -0.370 -0.000) 3.994 3.298 ( 0.683 5.942 -0.000) 5.981 3.351 ( -0.150 5.290 -0.000) 5.292 3.790 ( -2.450 -0.458 0.000) 2.493 3.811 ( -3.816 -2.744 0.000) 4.700 3.830 ( -0.043 0.165 -0.000) 0.170 3.859 ( 1.116 3.354 -0.000) 3.535 3.932 ( 0.249 0.079 -0.000) 0.261 3.972 ( -0.900 -2.959 0.000) 3.093 4.041 ( -2.717 -0.224 0.000) 2.726 4.114 ( 7.633 2.905 -0.000) 8.167 4.157 ( -0.419 1.865 -0.000) 1.911 4.178 ( 1.488 -0.297 -0.000) 1.517 4.272 ( 0.336 -0.594 0.000) 0.683 4.281 ( 0.269 3.985 -0.000) 3.994 4.313 ( 1.120 -0.185 -0.000) 1.135 4.334 ( 0.208 -0.943 0.000) 0.966 4.455 ( 1.332 -0.793 -0.000) 1.550 4.469 ( 0.991 1.282 -0.000) 1.620 4.508 ( -1.869 -2.540 0.000) 3.153 4.586 ( -1.710 -1.151 0.000) 2.062 4.668 ( 2.466 -0.257 -0.000) 2.479 4.704 ( 0.256 -1.136 0.000) 1.165 4.846 ( -0.599 -0.352 0.000) 0.695 4.863 ( -0.716 -2.480 0.000) 2.582 4.924 ( -2.695 -0.980 0.000) 2.868 4.946 ( -1.857 -0.297 0.000) 1.880 5.062 ( 1.320 -2.648 0.000) 2.958 5.063 ( -0.280 -1.496 0.000) 1.522 5.165 ( -2.298 0.672 0.000) 2.394 5.180 ( 0.571 0.921 -0.000) 1.083 5.233 ( -5.103 -0.689 0.000) 5.149 5.357 ( -2.096 3.898 -0.000) 4.426 5.480 ( 2.259 -4.649 0.000) 5.169 5.685 ( 1.633 -0.564 -0.000) 1.728 5.759 ( -2.550 -1.452 0.000) 2.935 5.882 ( 1.606 -1.656 -0.000) 2.307 6.054 ( 10.087 1.627 -0.000) 10.218 6.218 ( 0.601 -5.732 0.000) 5.763 ======================= Grid point 139 (54/95) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 13.532 -0.000) 13.532 0.739 ( 0.000 15.331 -0.000) 15.331 1.449 ( -0.000 -7.853 0.000) 7.853 1.483 ( 0.000 18.488 -0.000) 18.488 1.673 ( 0.000 6.728 -0.000) 6.728 1.686 ( -0.000 -2.420 0.000) 2.420 1.704 ( 0.000 0.572 -0.000) 0.572 1.890 ( -0.000 -3.408 0.000) 3.408 1.951 ( 0.000 3.665 -0.000) 3.665 1.977 ( -0.000 -1.036 0.000) 1.036 2.092 ( -0.000 -9.154 0.000) 9.154 2.301 ( 0.000 2.366 -0.000) 2.366 2.326 ( 0.000 1.219 -0.000) 1.219 2.405 ( 0.000 7.608 -0.000) 7.608 2.445 ( -0.000 -7.844 0.000) 7.844 2.518 ( 0.000 5.871 -0.000) 5.871 2.665 ( 0.000 5.382 -0.000) 5.382 2.801 ( -0.000 -3.541 0.000) 3.541 2.816 ( -0.000 -19.493 0.000) 19.493 2.851 ( -0.000 -0.125 0.000) 0.125 2.876 ( -0.000 -13.206 0.000) 13.206 3.089 ( -0.000 -2.291 0.000) 2.291 3.311 ( 0.000 7.903 -0.000) 7.903 3.350 ( 0.000 7.368 -0.000) 7.368 3.723 ( 0.000 1.421 -0.000) 1.421 3.739 ( -0.000 -0.828 0.000) 0.828 3.847 ( -0.000 -0.511 0.000) 0.511 3.881 ( 0.000 0.879 -0.000) 0.879 3.941 ( -0.000 -2.995 0.000) 2.995 3.957 ( -0.000 -3.451 0.000) 3.451 3.996 ( 0.000 0.229 -0.000) 0.229 4.143 ( 0.000 1.697 -0.000) 1.697 4.210 ( 0.000 0.227 -0.000) 0.227 4.287 ( 0.000 6.691 -0.000) 6.691 4.288 ( 0.000 4.991 -0.000) 4.991 4.294 ( -0.000 -1.815 0.000) 1.815 4.318 ( -0.000 -2.009 0.000) 2.009 4.350 ( 0.000 2.052 -0.000) 2.052 4.449 ( -0.000 -4.023 0.000) 4.023 4.467 ( -0.000 -3.725 0.000) 3.725 4.555 ( 0.000 2.031 -0.000) 2.031 4.583 ( -0.000 -1.342 0.000) 1.342 4.689 ( -0.000 -3.503 0.000) 3.503 4.736 ( 0.000 1.263 -0.000) 1.263 4.789 ( 0.000 1.374 -0.000) 1.374 4.854 ( -0.000 -0.377 0.000) 0.377 4.862 ( -0.000 -1.428 0.000) 1.428 4.945 ( -0.000 -0.166 0.000) 0.166 5.009 ( -0.000 -0.375 0.000) 0.375 5.049 ( -0.000 -1.355 0.000) 1.355 5.115 ( -0.000 -3.233 0.000) 3.233 5.162 ( -0.000 -3.484 0.000) 3.484 5.230 ( 0.000 1.959 -0.000) 1.959 5.349 ( 0.000 2.336 -0.000) 2.336 5.520 ( -0.000 -5.051 0.000) 5.051 5.647 ( -0.000 -0.976 0.000) 0.976 5.703 ( -0.000 -1.019 0.000) 1.019 5.950 ( -0.000 -2.326 0.000) 2.326 6.212 ( -0.000 -6.683 0.000) 6.683 6.227 ( 0.000 0.478 -0.000) 0.478 ======================= Grid point 140 (55/95) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -9.803 8.708 1.404) 13.187 0.972 ( -6.879 11.132 4.808) 13.941 1.389 ( -5.233 -8.125 -1.680) 9.809 1.565 ( 2.466 3.134 1.691) 4.332 1.714 ( -4.997 -2.344 -2.147) 5.922 1.724 ( -3.396 0.015 -3.183) 4.654 1.761 ( -0.827 1.397 2.544) 3.017 1.878 ( -1.933 -1.917 1.237) 2.991 1.939 ( 2.616 0.171 0.961) 2.792 2.002 ( -1.990 -4.635 -0.595) 5.079 2.036 ( -3.110 2.722 0.275) 4.142 2.290 ( 3.755 -2.586 1.949) 4.958 2.316 ( 0.008 -0.527 -3.610) 3.648 2.394 ( 1.433 -6.531 4.564) 8.095 2.476 ( 0.057 6.250 -1.338) 6.392 2.513 ( 1.603 -0.982 -0.058) 1.881 2.649 ( -2.998 -8.538 -0.641) 9.072 2.689 ( -1.251 -3.426 -2.460) 4.400 2.756 ( 1.400 -2.067 -1.292) 2.811 2.761 ( -0.062 -2.426 -3.586) 4.330 2.867 ( -0.354 -1.715 3.835) 4.215 3.043 ( 1.404 -2.482 -1.724) 3.333 3.401 ( 0.795 8.540 0.921) 8.626 3.435 ( 0.570 7.677 1.042) 7.768 3.751 ( -1.823 -0.111 0.115) 1.830 3.759 ( -1.858 1.448 0.165) 2.361 3.833 ( 0.609 -0.455 -0.602) 0.970 3.890 ( -0.349 0.801 0.271) 0.914 3.918 ( -0.841 -1.779 0.258) 1.984 3.926 ( -0.648 -2.890 0.348) 2.982 4.009 ( -1.084 0.276 0.628) 1.283 4.159 ( -0.290 0.607 -1.435) 1.585 4.182 ( 0.794 -2.917 1.396) 3.330 4.263 ( 4.026 -0.522 0.423) 4.081 4.288 ( 3.700 1.787 -0.674) 4.164 4.315 ( 0.955 1.027 -0.722) 1.578 4.326 ( -1.036 0.524 0.727) 1.370 4.374 ( 2.073 3.692 -2.147) 4.748 4.444 ( -1.714 1.155 0.025) 2.067 4.461 ( -0.885 0.439 3.864) 3.988 4.522 ( 1.964 1.914 -3.937) 4.798 4.579 ( 1.132 -0.095 2.807) 3.029 4.671 ( -0.841 -1.766 0.985) 2.190 4.730 ( 3.249 2.781 -0.382) 4.293 4.827 ( -1.903 0.561 0.122) 1.988 4.860 ( -0.771 0.027 0.534) 0.938 4.879 ( -2.044 0.464 -0.694) 2.208 4.934 ( 1.039 0.852 0.383) 1.398 5.021 ( -2.030 -2.400 0.562) 3.193 5.036 ( -0.180 -3.202 0.305) 3.222 5.113 ( -3.560 -2.151 0.428) 4.181 5.128 ( -1.187 -1.867 0.224) 2.224 5.238 ( 0.741 0.703 0.588) 1.179 5.371 ( -0.691 2.365 -2.301) 3.371 5.454 ( 1.115 -5.372 2.153) 5.894 5.640 ( -2.816 -1.335 -6.301) 7.029 5.731 ( -1.461 -0.287 5.396) 5.598 5.892 ( 2.563 -2.983 -1.067) 4.075 6.144 ( -0.270 -6.595 0.400) 6.612 6.181 ( 5.304 -1.411 0.896) 5.561 ======================= Grid point 141 (56/95) ======================= q-point: ( 0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -8.059 -0.960 -0.293) 8.122 1.187 ( -6.110 3.386 5.737) 9.040 1.442 ( -7.565 -1.085 0.318) 7.649 1.561 ( 6.362 1.482 2.975) 7.178 1.661 ( -4.960 -8.135 -1.437) 9.636 1.757 ( -3.874 -2.485 -6.011) 7.570 1.820 ( -5.717 -2.111 0.954) 6.169 1.882 ( 1.206 -1.795 1.571) 2.673 1.907 ( -2.887 -4.656 4.382) 7.015 2.003 ( 2.888 -4.238 -2.524) 5.716 2.074 ( -0.321 -0.403 0.777) 0.932 2.199 ( 1.333 -0.533 -3.134) 3.447 2.270 ( -0.848 -1.626 2.653) 3.226 2.372 ( -2.116 1.556 1.590) 3.070 2.525 ( -3.995 -1.453 -1.474) 4.499 2.547 ( -1.639 0.316 -2.363) 2.893 2.627 ( -1.243 -4.451 0.141) 4.624 2.631 ( 0.713 -0.678 0.661) 1.185 2.715 ( 2.419 0.580 -0.357) 2.513 2.761 ( -0.581 2.706 -5.819) 6.443 2.863 ( 0.616 -1.138 3.563) 3.790 2.983 ( 1.415 -2.155 -1.762) 3.123 3.483 ( 1.254 7.850 1.433) 8.077 3.504 ( 1.648 6.102 1.649) 6.532 3.780 ( -1.040 0.254 -0.548) 1.202 3.788 ( -1.292 -0.166 -0.162) 1.313 3.830 ( -0.644 0.692 -1.380) 1.673 3.905 ( -1.135 -1.546 1.388) 2.368 3.928 ( -1.810 -0.578 -0.557) 1.980 3.947 ( -2.830 2.354 1.335) 3.916 4.043 ( -2.058 0.069 1.366) 2.471 4.128 ( -0.078 -3.194 0.203) 3.201 4.154 ( 5.593 -0.808 0.488) 5.672 4.184 ( 1.844 0.734 1.977) 2.801 4.253 ( 1.024 -0.524 -0.851) 1.431 4.286 ( 2.692 -0.380 1.186) 2.966 4.354 ( -0.235 1.895 -2.918) 3.487 4.371 ( 0.103 2.836 -2.096) 3.528 4.470 ( 0.647 0.660 0.192) 0.944 4.491 ( 0.729 2.224 -2.803) 3.652 4.538 ( 0.372 2.921 4.124) 5.067 4.584 ( -1.048 -0.299 0.707) 1.300 4.676 ( -0.157 -0.257 0.723) 0.783 4.708 ( 2.331 1.706 2.761) 3.996 4.861 ( -1.028 2.022 -0.235) 2.281 4.880 ( -0.271 1.680 0.581) 1.798 4.904 ( -1.813 0.152 -2.414) 3.023 4.953 ( -1.226 1.460 0.073) 1.908 4.998 ( 0.263 -2.569 -0.084) 2.584 5.011 ( -1.321 -2.598 0.066) 2.916 5.138 ( -2.164 -3.747 -0.373) 4.343 5.181 ( -5.535 -0.495 1.283) 5.703 5.252 ( -1.872 0.952 2.074) 2.951 5.347 ( 1.845 -4.660 -0.700) 5.061 5.457 ( -1.966 3.940 0.539) 4.436 5.633 ( -1.115 -1.086 -4.257) 4.533 5.731 ( 2.606 -1.373 -1.267) 3.206 5.856 ( -1.699 -1.953 4.268) 4.992 6.057 ( 6.625 -2.795 0.587) 7.214 6.073 ( 1.725 -5.036 -0.161) 5.325 ======================= Grid point 142 (57/95) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -3.478 -5.800 0.073) 6.763 1.266 ( -0.203 -3.528 4.751) 5.921 1.380 ( 8.960 0.349 1.198) 9.047 1.523 ( 5.032 -6.226 3.320) 8.666 1.708 ( -1.326 -0.400 -2.972) 3.279 1.724 ( -4.922 -1.684 -0.674) 5.246 1.840 ( -3.900 -0.613 -1.896) 4.379 1.880 ( -4.117 -2.765 -0.831) 5.028 1.939 ( -4.025 -1.084 -0.539) 4.203 2.006 ( -6.427 -0.993 3.597) 7.432 2.082 ( -0.312 1.664 0.405) 1.741 2.156 ( 2.070 -1.934 -4.343) 5.185 2.306 ( 0.137 2.295 1.770) 2.901 2.408 ( 0.495 -1.623 -5.201) 5.471 2.535 ( -2.970 -1.258 1.402) 3.517 2.572 ( 4.715 1.809 -1.245) 5.201 2.577 ( -4.165 -2.853 -0.808) 5.113 2.634 ( 1.905 1.306 1.481) 2.743 2.704 ( 0.128 0.176 1.661) 1.675 2.792 ( -5.037 0.284 -0.969) 5.137 2.869 ( 0.442 1.376 0.222) 1.462 2.953 ( -1.043 -1.201 -0.645) 1.717 3.527 ( 2.872 3.121 1.026) 4.364 3.543 ( 1.765 4.674 2.044) 5.398 3.783 ( 0.010 0.262 -1.058) 1.090 3.801 ( -0.801 -0.569 -0.531) 1.117 3.844 ( -1.837 0.485 -2.027) 2.778 3.924 ( -1.540 -0.477 2.337) 2.839 3.954 ( -2.971 0.068 -2.825) 4.101 4.016 ( 2.483 2.710 -0.669) 3.736 4.070 ( -1.005 0.473 1.683) 2.017 4.087 ( 0.146 0.289 1.085) 1.132 4.131 ( -1.360 -1.902 2.494) 3.419 4.194 ( -0.567 0.175 5.664) 5.695 4.237 ( -0.115 -0.093 -0.834) 0.847 4.248 ( 1.678 -0.645 1.219) 2.172 4.347 ( 0.349 1.769 -5.831) 6.104 4.399 ( 0.503 2.416 0.002) 2.468 4.443 ( 1.946 -0.787 0.045) 2.100 4.466 ( 2.673 0.694 -3.016) 4.089 4.563 ( 0.066 0.688 1.453) 1.609 4.615 ( -2.186 -0.880 2.757) 3.627 4.698 ( -0.584 2.737 2.905) 4.033 4.737 ( -3.138 -0.650 1.935) 3.743 4.880 ( 1.252 1.784 -2.457) 3.285 4.907 ( 0.707 2.489 -0.077) 2.589 4.934 ( -3.894 0.146 -1.823) 4.302 4.982 ( -0.063 0.894 -1.526) 1.770 4.991 ( -1.722 0.890 -0.077) 1.940 5.022 ( -2.774 -1.021 -0.858) 3.078 5.085 ( 0.290 -5.155 -2.986) 5.965 5.230 ( 4.723 -0.534 0.279) 4.761 5.297 ( -6.576 -2.747 3.606) 7.988 5.350 ( -6.373 0.077 4.145) 7.603 5.517 ( 0.793 2.561 -1.813) 3.237 5.581 ( 6.139 0.054 0.583) 6.167 5.694 ( -3.439 -0.308 -6.018) 6.938 5.872 ( 2.723 0.428 2.085) 3.456 5.956 ( 1.325 -5.040 0.642) 5.251 6.004 ( 0.591 -1.387 2.894) 3.263 ======================= Grid point 143 (58/95) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 10.999 -0.000 -2.699) 11.325 1.207 ( 5.778 0.000 4.087) 7.078 1.340 ( 12.785 0.000 5.637) 13.972 1.380 ( -2.709 0.000 7.820) 8.276 1.645 ( 3.584 -0.000 -9.627) 10.273 1.827 ( -6.115 -0.000 -2.995) 6.809 1.853 ( -1.652 -0.000 -0.858) 1.861 1.932 ( 5.411 -0.000 -8.066) 9.713 1.992 ( -4.396 -0.000 -2.234) 4.931 2.031 ( -4.469 0.000 0.877) 4.554 2.124 ( -1.703 0.000 0.650) 1.823 2.157 ( -4.428 0.000 5.611) 7.148 2.315 ( 1.813 0.000 3.766) 4.180 2.335 ( 2.536 -0.000 -8.713) 9.074 2.485 ( 3.803 -0.000 -0.470) 3.832 2.491 ( 7.725 0.000 6.451) 10.065 2.630 ( -0.621 -0.000 -0.965) 1.148 2.709 ( -9.762 0.000 -0.878) 9.801 2.733 ( -3.140 0.000 0.892) 3.264 2.834 ( 1.915 0.000 4.339) 4.743 2.931 ( -7.929 0.000 -2.283) 8.251 2.966 ( -1.548 -0.000 -0.538) 1.639 3.492 ( 3.850 -0.000 -0.537) 3.888 3.549 ( 2.289 0.000 2.027) 3.058 3.774 ( 0.112 -0.000 -2.019) 2.022 3.805 ( -0.775 -0.000 -0.641) 1.006 3.882 ( -3.365 0.000 -0.824) 3.464 3.960 ( -1.029 0.000 3.061) 3.230 3.972 ( 1.741 -0.000 -1.178) 2.102 3.985 ( -2.923 -0.000 -5.238) 5.998 4.064 ( 1.480 -0.000 -0.832) 1.698 4.081 ( 4.900 0.000 3.362) 5.942 4.156 ( -1.732 0.000 2.056) 2.688 4.213 ( -0.076 -0.000 -1.614) 1.615 4.254 ( -2.351 0.000 -0.287) 2.369 4.290 ( -2.278 0.000 5.798) 6.230 4.323 ( 0.607 -0.000 -4.128) 4.173 4.365 ( 4.530 -0.000 -1.332) 4.721 4.409 ( 1.431 0.000 1.006) 1.749 4.457 ( -2.096 0.000 1.307) 2.470 4.571 ( 0.203 0.000 0.607) 0.640 4.678 ( -4.026 0.000 3.514) 5.344 4.744 ( -1.499 0.000 -0.341) 1.537 4.808 ( -3.031 0.000 2.193) 3.741 4.857 ( -0.675 -0.000 -2.215) 2.316 4.908 ( 0.026 -0.000 -1.260) 1.260 4.949 ( 3.073 -0.000 -3.040) 4.322 4.992 ( -4.035 0.000 -1.038) 4.166 5.028 ( -2.459 0.000 -0.275) 2.475 5.053 ( -0.819 0.000 1.106) 1.376 5.059 ( -3.613 -0.000 -2.970) 4.677 5.138 ( 5.242 -0.000 -0.086) 5.243 5.413 ( 5.594 -0.000 -0.568) 5.623 5.414 ( -5.758 0.000 2.033) 6.106 5.476 ( 3.363 -0.000 0.501) 3.400 5.535 ( -5.033 0.000 4.200) 6.555 5.717 ( -1.900 -0.000 -6.216) 6.499 5.857 ( 0.754 -0.000 -1.520) 1.696 5.875 ( 1.576 -0.000 -0.874) 1.802 6.070 ( -4.139 0.000 7.385) 8.465 ======================= Grid point 148 (59/95) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 12.501 5.635) 13.712 0.811 ( 0.000 13.555 12.719) 18.588 1.403 ( -0.000 -3.268 -6.476) 7.254 1.523 ( 0.000 15.323 5.270) 16.204 1.628 ( -0.000 5.977 -6.139) 8.568 1.688 ( -0.000 0.627 -2.421) 2.501 1.701 ( -0.000 -1.565 0.247) 1.585 1.912 ( 0.000 -3.612 4.074) 5.445 1.962 ( 0.000 1.867 1.791) 2.588 1.988 ( 0.000 -1.097 1.841) 2.143 2.087 ( -0.000 -7.773 -0.622) 7.798 2.299 ( -0.000 0.416 -0.784) 0.887 2.347 ( 0.000 0.509 3.589) 3.625 2.393 ( 0.000 7.375 -1.608) 7.548 2.465 ( -0.000 -5.577 3.111) 6.386 2.510 ( 0.000 4.774 -2.629) 5.450 2.597 ( -0.000 7.636 -9.175) 11.937 2.775 ( -0.000 -5.615 -4.212) 7.020 2.819 ( -0.000 -16.825 0.063) 16.825 2.858 ( -0.000 -10.636 -0.213) 10.638 2.904 ( 0.000 -3.910 4.696) 6.111 3.064 ( -0.000 -1.508 -4.068) 4.338 3.329 ( 0.000 7.060 2.803) 7.596 3.359 ( 0.000 7.287 1.663) 7.474 3.727 ( 0.000 1.406 0.821) 1.628 3.741 ( -0.000 -0.689 0.212) 0.721 3.839 ( -0.000 -0.264 -1.455) 1.479 3.882 ( 0.000 0.841 0.027) 0.841 3.943 ( -0.000 -2.874 0.298) 2.889 3.960 ( -0.000 -3.336 0.503) 3.374 3.999 ( 0.000 0.692 0.494) 0.851 4.133 ( -0.000 1.501 -1.692) 2.262 4.218 ( 0.000 0.358 1.246) 1.296 4.277 ( 0.000 4.265 -1.440) 4.502 4.288 ( 0.000 4.397 -0.319) 4.408 4.305 ( 0.000 -1.300 1.839) 2.252 4.315 ( -0.000 -1.957 -0.387) 1.995 4.356 ( 0.000 2.760 1.261) 3.034 4.450 ( -0.000 -3.702 0.026) 3.703 4.479 ( 0.000 -2.668 2.144) 3.423 4.507 ( -0.000 -0.019 -5.017) 5.017 4.635 ( 0.000 -0.147 5.885) 5.887 4.694 ( -0.000 -3.363 0.907) 3.483 4.720 ( -0.000 1.268 -2.789) 3.063 4.799 ( 0.000 1.256 1.674) 2.093 4.856 ( -0.000 -0.590 -0.133) 0.605 4.859 ( -0.000 -1.258 -0.346) 1.304 4.946 ( 0.000 0.742 0.473) 0.880 5.021 ( 0.000 -0.995 1.954) 2.193 5.054 ( 0.000 -1.472 0.833) 1.691 5.117 ( -0.000 -3.148 0.430) 3.178 5.160 ( -0.000 -3.488 -0.181) 3.493 5.234 ( 0.000 2.247 0.675) 2.347 5.336 ( -0.000 1.707 -2.279) 2.847 5.531 ( -0.000 -4.408 1.893) 4.797 5.595 ( -0.000 -1.866 -6.155) 6.432 5.746 ( 0.000 0.073 4.734) 4.735 5.929 ( -0.000 -1.791 -3.712) 4.121 6.224 ( -0.000 -6.898 2.112) 7.214 6.243 ( 0.000 -0.190 2.604) 2.611 ======================= Grid point 149 (60/95) ======================= q-point: ( 0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -8.747 7.196 3.936) 11.991 1.063 ( -5.673 9.091 11.799) 15.938 1.359 ( -6.418 -5.308 -3.868) 9.183 1.590 ( 1.443 0.693 1.983) 2.549 1.677 ( -2.140 1.807 -5.030) 5.757 1.684 ( -1.582 -1.633 -3.002) 3.765 1.790 ( -2.573 5.134 2.782) 6.381 1.907 ( -1.342 -3.139 4.072) 5.313 1.946 ( -0.392 -3.173 0.192) 3.203 1.999 ( -0.116 -3.299 0.071) 3.302 2.044 ( -2.118 1.762 1.510) 3.142 2.275 ( 0.352 -2.673 -3.769) 4.634 2.324 ( 2.500 -3.721 3.828) 5.895 2.445 ( 2.880 -4.971 2.992) 6.477 2.450 ( 0.079 3.859 -3.030) 4.907 2.511 ( -1.589 1.289 0.117) 2.049 2.616 ( -2.991 -5.819 -5.859) 8.783 2.660 ( -0.422 1.236 -1.249) 1.807 2.726 ( -0.203 -7.820 -2.906) 8.345 2.740 ( 0.824 -2.035 -1.763) 2.816 2.907 ( 0.071 -2.116 3.143) 3.790 3.014 ( 1.178 -1.814 -3.456) 4.077 3.418 ( 1.005 8.215 2.066) 8.530 3.453 ( 0.205 7.273 2.004) 7.547 3.754 ( -1.446 0.172 0.295) 1.486 3.761 ( -1.335 1.088 0.312) 1.750 3.824 ( 0.691 0.195 -0.838) 1.103 3.894 ( -0.965 0.776 0.245) 1.263 3.924 ( -0.604 -1.454 0.770) 1.752 3.932 ( -0.467 -2.725 0.663) 2.843 4.021 ( -1.195 0.611 1.501) 2.013 4.140 ( -0.495 0.335 -2.037) 2.123 4.201 ( 0.766 -2.335 2.203) 3.301 4.266 ( 3.196 -1.143 -0.544) 3.437 4.274 ( 3.071 0.663 -1.577) 3.515 4.291 ( 0.291 1.409 -3.312) 3.611 4.334 ( -0.604 0.934 1.572) 1.926 4.375 ( 2.547 1.181 2.024) 3.462 4.440 ( -1.609 0.226 -1.459) 2.184 4.472 ( 1.093 1.604 -2.660) 3.293 4.519 ( -1.162 2.815 4.927) 5.792 4.604 ( 2.977 -0.494 1.738) 3.482 4.688 ( -0.280 -1.123 1.892) 2.218 4.723 ( 2.061 4.212 -0.647) 4.734 4.830 ( -1.387 -0.173 -0.081) 1.400 4.858 ( -0.079 0.754 -0.263) 0.803 4.878 ( -3.092 -0.955 0.534) 3.280 4.942 ( 2.058 1.463 1.112) 2.759 5.030 ( -1.761 -3.384 0.917) 3.923 5.040 ( -0.215 -3.522 0.448) 3.557 5.121 ( -3.447 -1.930 0.946) 4.062 5.133 ( -1.818 -1.284 0.902) 2.401 5.249 ( 0.947 1.197 1.323) 2.020 5.339 ( -0.975 0.978 -3.135) 3.426 5.480 ( 1.594 -3.580 1.860) 4.338 5.573 ( -3.402 -1.931 -5.362) 6.637 5.779 ( 0.402 -0.135 2.759) 2.792 5.877 ( 0.611 -1.689 -1.104) 2.109 6.153 ( 0.694 -6.824 1.373) 6.995 6.195 ( 5.208 -2.351 1.606) 5.935 ======================= Grid point 150 (61/95) ======================= q-point: ( 0.62 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -8.867 -3.385 -0.320) 9.497 1.266 ( -4.541 2.428 9.094) 10.451 1.453 ( -5.070 1.671 1.895) 5.665 1.600 ( 3.848 -2.243 3.763) 5.831 1.633 ( -5.943 -3.860 -3.531) 7.918 1.689 ( -2.031 -0.461 -6.517) 6.842 1.827 ( -2.928 -3.191 0.451) 4.354 1.896 ( 0.339 -1.522 0.242) 1.578 1.956 ( 0.491 -4.759 3.549) 5.957 1.988 ( -2.145 -0.919 1.919) 3.021 2.091 ( 0.683 -3.620 2.317) 4.351 2.145 ( 2.703 0.352 -6.009) 6.599 2.320 ( -2.991 -4.325 5.371) 7.517 2.374 ( -1.461 -1.577 -1.566) 2.660 2.500 ( -3.047 2.313 -3.788) 5.383 2.520 ( -2.880 -6.711 -1.381) 7.432 2.610 ( -2.745 -1.541 -3.036) 4.374 2.652 ( 1.253 1.776 2.233) 3.116 2.694 ( 0.908 2.769 -4.301) 5.195 2.723 ( 1.021 1.849 0.099) 2.114 2.893 ( 0.362 -1.450 2.260) 2.710 2.961 ( 0.813 -1.623 -2.156) 2.818 3.502 ( 1.295 8.028 1.912) 8.354 3.523 ( 1.675 5.784 1.849) 6.299 3.774 ( -0.216 0.495 -0.449) 0.702 3.783 ( -1.791 -0.429 -0.732) 1.982 3.817 ( 0.414 0.622 -0.973) 1.227 3.915 ( -1.202 -1.116 0.244) 1.658 3.929 ( -0.989 -0.881 0.950) 1.630 3.964 ( -2.607 3.575 1.863) 4.801 4.061 ( -1.852 -0.098 1.956) 2.696 4.126 ( 0.336 -1.669 -0.383) 1.745 4.164 ( 3.147 -2.414 0.931) 4.074 4.203 ( 0.680 0.694 1.463) 1.756 4.243 ( 0.644 -0.755 -0.936) 1.364 4.278 ( 0.973 1.572 -3.667) 4.106 4.332 ( 3.033 0.383 1.899) 3.599 4.373 ( -0.836 1.133 0.274) 1.434 4.446 ( 0.338 1.732 -4.734) 5.052 4.474 ( 0.424 0.082 0.504) 0.664 4.571 ( 1.044 0.691 1.252) 1.771 4.601 ( -0.937 1.632 2.786) 3.362 4.696 ( 0.450 1.156 3.108) 3.346 4.735 ( 2.557 3.619 1.986) 4.856 4.859 ( -2.888 0.644 -2.031) 3.589 4.863 ( 0.849 1.910 -0.765) 2.226 4.907 ( -0.982 -0.903 1.926) 2.343 4.947 ( -0.183 1.959 -1.188) 2.298 4.995 ( -0.094 -3.447 -0.330) 3.464 5.008 ( -0.879 -2.616 -0.712) 2.850 5.133 ( -1.052 -4.672 -0.419) 4.807 5.204 ( -5.178 -0.101 2.908) 5.940 5.279 ( -2.783 1.555 2.682) 4.166 5.337 ( 0.399 -1.983 -1.054) 2.281 5.459 ( -0.651 1.927 -0.275) 2.053 5.587 ( -3.478 -1.067 -3.976) 5.389 5.714 ( 5.329 -1.100 -1.755) 5.718 5.904 ( -2.419 -0.906 4.543) 5.226 6.060 ( 2.975 -5.769 -0.150) 6.493 6.075 ( 5.474 -2.923 0.452) 6.222 ======================= Grid point 151 (62/95) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -3.761 -7.335 -0.398) 8.253 1.326 ( 1.545 -2.926 6.429) 7.231 1.402 ( 6.272 -0.245 2.663) 6.818 1.548 ( 2.715 -6.329 0.379) 6.897 1.680 ( 5.316 2.163 -1.303) 5.885 1.703 ( -6.883 -0.290 -3.240) 7.613 1.838 ( -1.774 -2.556 1.805) 3.597 1.879 ( -4.994 -2.489 0.486) 5.601 1.922 ( -3.814 0.374 -2.734) 4.708 2.012 ( 1.282 -1.798 -3.545) 4.177 2.100 ( -3.547 0.962 2.828) 4.637 2.130 ( -1.213 -0.634 1.396) 1.955 2.306 ( 0.094 -1.266 -5.503) 5.648 2.373 ( 0.676 -2.327 1.948) 3.109 2.542 ( -7.620 -0.577 -0.875) 7.691 2.554 ( -1.193 0.051 -0.864) 1.474 2.573 ( 3.373 -1.055 -0.415) 3.558 2.646 ( 3.277 1.426 0.880) 3.680 2.730 ( 0.804 0.806 2.573) 2.813 2.758 ( -8.195 2.632 -4.063) 9.518 2.887 ( 1.202 -0.503 2.192) 2.550 2.945 ( -1.532 -0.861 -0.734) 1.905 3.539 ( 3.635 2.871 0.971) 4.733 3.564 ( 1.890 5.123 1.892) 5.779 3.772 ( 0.476 0.103 -0.933) 1.052 3.795 ( -0.679 -0.499 -0.503) 0.981 3.823 ( -2.079 0.465 -1.851) 2.822 3.929 ( -1.517 -0.024 -1.415) 2.074 3.948 ( -1.303 0.132 1.655) 2.110 4.013 ( 3.010 1.086 0.126) 3.203 4.077 ( 0.219 -0.606 0.180) 0.669 4.110 ( -1.042 2.704 2.379) 3.749 4.161 ( -0.976 -1.515 3.189) 3.663 4.218 ( 0.317 -0.363 0.278) 0.556 4.229 ( -0.068 -0.003 -0.348) 0.354 4.274 ( -0.918 2.221 -1.983) 3.116 4.311 ( 0.007 -0.799 3.350) 3.444 4.399 ( 2.001 1.576 -1.195) 2.814 4.419 ( -0.568 0.398 -3.842) 3.904 4.450 ( 1.435 -0.918 0.103) 1.706 4.572 ( -0.293 0.176 0.529) 0.630 4.639 ( -1.857 0.262 1.706) 2.536 4.737 ( 1.472 3.386 4.131) 5.540 4.760 ( -2.444 0.766 2.333) 3.464 4.850 ( 1.370 0.860 -2.998) 3.407 4.903 ( 1.195 1.562 -0.838) 2.138 4.920 ( -3.230 0.318 -1.412) 3.539 4.961 ( -1.248 0.119 -1.585) 2.021 4.991 ( -0.998 0.419 -0.006) 1.082 5.006 ( -2.629 -1.725 -2.076) 3.768 5.065 ( -0.012 -5.398 -0.893) 5.471 5.236 ( 5.021 -0.008 0.665) 5.065 5.338 ( -5.812 -1.164 3.774) 7.026 5.391 ( -6.389 0.280 3.495) 7.288 5.495 ( -0.065 1.866 -2.298) 2.961 5.587 ( 6.127 0.578 0.409) 6.168 5.637 ( -3.134 -0.410 -4.718) 5.679 5.891 ( 5.139 -0.130 1.628) 5.392 5.950 ( 2.747 -5.219 -1.327) 6.045 6.043 ( -3.373 -0.679 3.610) 4.987 ======================= Grid point 152 (63/95) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 11.807 -0.000 -1.443) 11.895 1.253 ( 6.777 0.000 4.431) 8.097 1.400 ( 12.296 0.000 5.487) 13.465 1.461 ( -6.249 0.000 6.891) 9.302 1.544 ( 7.918 -0.000 -9.261) 12.185 1.774 ( -4.076 -0.000 -5.345) 6.721 1.852 ( 7.466 -0.000 -6.022) 9.592 1.870 ( -3.095 0.000 2.801) 4.174 1.969 ( -3.508 -0.000 -2.315) 4.203 2.042 ( -9.318 0.000 0.714) 9.346 2.138 ( -0.338 0.000 2.160) 2.187 2.217 ( -3.574 0.000 5.084) 6.215 2.245 ( 2.065 -0.000 -7.798) 8.067 2.349 ( 2.752 0.000 2.594) 3.782 2.474 ( 4.239 -0.000 -1.472) 4.488 2.546 ( 3.769 0.000 4.179) 5.628 2.615 ( 0.509 -0.000 -1.958) 2.023 2.697 ( -10.257 0.000 -1.108) 10.316 2.749 ( -1.693 0.000 1.706) 2.403 2.870 ( 1.590 0.000 2.441) 2.913 2.910 ( -9.814 0.000 -1.559) 9.937 2.960 ( -1.226 -0.000 -0.440) 1.303 3.488 ( 4.818 -0.000 -0.268) 4.826 3.568 ( 2.621 0.000 1.375) 2.960 3.756 ( 0.563 -0.000 -1.324) 1.439 3.799 ( -0.675 -0.000 -0.460) 0.817 3.869 ( -4.039 -0.000 -1.555) 4.328 3.941 ( -1.336 -0.000 -2.214) 2.586 3.968 ( 1.606 -0.000 -0.342) 1.642 3.987 ( -1.491 0.000 1.960) 2.463 4.057 ( 2.392 -0.000 -0.424) 2.429 4.116 ( 6.170 0.000 2.939) 6.834 4.177 ( -2.168 0.000 2.039) 2.976 4.198 ( 0.748 -0.000 -1.168) 1.387 4.251 ( -2.329 0.000 -0.229) 2.340 4.280 ( -0.808 -0.000 -3.730) 3.816 4.310 ( 3.907 -0.000 -1.644) 4.238 4.380 ( 0.489 0.000 3.556) 3.589 4.424 ( 0.949 0.000 1.451) 1.734 4.471 ( -5.065 0.000 1.371) 5.248 4.578 ( 0.522 0.000 0.511) 0.730 4.701 ( -3.908 0.000 0.940) 4.019 4.743 ( 1.312 -0.000 0.154) 1.321 4.812 ( 1.775 -0.000 -0.798) 1.946 4.848 ( -5.176 0.000 -0.673) 5.220 4.890 ( -0.987 -0.000 -1.714) 1.978 4.935 ( 1.086 0.000 1.330) 1.717 4.985 ( -4.665 0.000 -0.590) 4.702 5.024 ( -2.878 0.000 -0.326) 2.897 5.026 ( -2.898 -0.000 -3.317) 4.405 5.062 ( -1.903 0.000 0.575) 1.988 5.137 ( 6.786 -0.000 -0.007) 6.786 5.408 ( 7.940 -0.000 -0.355) 7.947 5.438 ( -1.742 0.000 2.300) 2.885 5.478 ( -0.654 -0.000 -0.273) 0.709 5.576 ( -6.603 0.000 3.571) 7.507 5.662 ( -1.782 -0.000 -4.259) 4.617 5.843 ( 1.060 -0.000 -1.087) 1.518 5.865 ( 2.335 -0.000 -0.731) 2.447 6.131 ( -4.965 0.000 4.160) 6.477 ======================= Grid point 153 (64/95) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 12.055 0.000 0.000) 12.055 1.282 ( 7.115 0.000 0.000) 7.115 1.451 ( 4.519 0.000 0.000) 4.519 1.469 ( 17.456 0.000 0.000) 17.456 1.502 ( -8.151 -0.000 -0.000) 8.151 1.740 ( -3.405 -0.000 -0.000) 3.405 1.819 ( 6.942 0.000 0.000) 6.942 1.892 ( -2.425 -0.000 -0.000) 2.425 1.951 ( -3.571 -0.000 -0.000) 3.571 2.045 ( -10.123 -0.000 -0.000) 10.123 2.164 ( 0.328 0.000 0.000) 0.328 2.188 ( 1.737 0.000 0.000) 1.737 2.247 ( -3.467 -0.000 -0.000) 3.467 2.365 ( 2.959 0.000 0.000) 2.959 2.463 ( 5.008 0.000 0.000) 5.008 2.576 ( 0.485 0.000 0.000) 0.485 2.596 ( 2.736 0.000 0.000) 2.736 2.691 ( -10.686 -0.000 -0.000) 10.686 2.759 ( -1.230 -0.000 -0.000) 1.230 2.883 ( 1.254 0.000 0.000) 1.254 2.901 ( -10.300 -0.000 -0.000) 10.300 2.958 ( -1.094 -0.000 -0.000) 1.094 3.487 ( 5.203 0.000 0.000) 5.203 3.575 ( 2.751 0.000 0.000) 2.751 3.749 ( 0.755 0.000 0.000) 0.755 3.797 ( -0.584 -0.000 -0.000) 0.584 3.858 ( -3.746 -0.000 -0.000) 3.746 3.931 ( -1.286 -0.000 -0.000) 1.286 3.966 ( 1.615 0.000 0.000) 1.615 3.998 ( -1.851 -0.000 -0.000) 1.851 4.055 ( 2.722 0.000 0.000) 2.722 4.134 ( 7.452 0.000 0.000) 7.452 4.191 ( 0.926 0.000 0.000) 0.926 4.191 ( -2.492 -0.000 -0.000) 2.492 4.250 ( -1.885 -0.000 -0.000) 1.885 4.256 ( -1.521 -0.000 -0.000) 1.521 4.296 ( 3.870 0.000 0.000) 3.870 4.401 ( 1.575 0.000 0.000) 1.575 4.433 ( 0.544 0.000 0.000) 0.544 4.480 ( -7.202 -0.000 -0.000) 7.202 4.581 ( 0.584 0.000 0.000) 0.584 4.704 ( -2.998 -0.000 -0.000) 2.998 4.744 ( 2.994 0.000 0.000) 2.994 4.809 ( 2.092 0.000 0.000) 2.092 4.839 ( -4.867 -0.000 -0.000) 4.867 4.880 ( -1.831 -0.000 -0.000) 1.831 4.966 ( -0.157 -0.000 -0.000) 0.157 4.967 ( -5.245 -0.000 -0.000) 5.245 5.003 ( -2.838 -0.000 -0.000) 2.838 5.022 ( -2.923 -0.000 -0.000) 2.923 5.065 ( -2.335 -0.000 -0.000) 2.335 5.138 ( 7.326 0.000 0.000) 7.326 5.406 ( 8.674 0.000 0.000) 8.674 5.453 ( 3.246 0.000 0.000) 3.246 5.474 ( -5.736 -0.000 -0.000) 5.736 5.602 ( -8.865 -0.000 -0.000) 8.865 5.633 ( -0.007 -0.000 -0.000) 0.007 5.837 ( 1.250 0.000 0.000) 1.250 5.861 ( 2.681 0.000 0.000) 2.681 6.154 ( -5.296 -0.000 -0.000) 5.296 ======================= Grid point 157 (65/95) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 9.933 9.751) 13.919 0.978 ( 0.000 10.365 17.841) 20.633 1.319 ( -0.000 -2.932 -9.433) 9.878 1.552 ( -0.000 7.221 -8.304) 11.004 1.583 ( 0.000 19.692 5.622) 20.479 1.673 ( -0.000 -2.160 0.856) 2.323 1.690 ( -0.000 -1.937 -2.103) 2.859 1.968 ( 0.000 -2.968 5.922) 6.624 1.982 ( 0.000 -0.818 1.796) 1.974 2.003 ( -0.000 -3.359 0.298) 3.372 2.092 ( -0.000 -4.120 2.039) 4.597 2.279 ( -0.000 -1.929 -3.097) 3.649 2.365 ( -0.000 2.575 -5.208) 5.810 2.375 ( 0.000 6.129 -1.956) 6.434 2.447 ( -0.000 2.014 -2.443) 3.166 2.503 ( 0.000 -2.189 4.019) 4.576 2.555 ( 0.000 8.657 0.042) 8.657 2.716 ( -0.000 -3.466 -6.858) 7.684 2.816 ( -0.000 -16.876 -0.663) 16.889 2.850 ( -0.000 -13.392 -1.314) 13.457 2.947 ( 0.000 -2.867 3.067) 4.198 3.020 ( -0.000 -1.171 -3.704) 3.885 3.360 ( 0.000 6.067 2.946) 6.745 3.380 ( 0.000 6.920 2.074) 7.224 3.738 ( 0.000 1.382 1.181) 1.818 3.743 ( 0.000 -0.277 0.249) 0.372 3.824 ( -0.000 0.192 -1.066) 1.083 3.878 ( -0.000 0.772 -0.910) 1.194 3.947 ( -0.000 -2.535 0.535) 2.591 3.964 ( -0.000 -2.968 0.172) 2.973 4.008 ( 0.000 1.350 1.394) 1.941 4.111 ( -0.000 1.337 -2.449) 2.790 4.225 ( 0.000 1.900 -0.440) 1.950 4.269 ( 0.000 -0.622 0.476) 0.783 4.276 ( -0.000 2.565 -1.966) 3.232 4.312 ( -0.000 -1.101 -0.332) 1.150 4.328 ( 0.000 -0.577 2.399) 2.467 4.380 ( 0.000 2.859 3.474) 4.499 4.438 ( -0.000 -2.212 -2.836) 3.597 4.472 ( -0.000 -1.782 -1.168) 2.130 4.508 ( 0.000 -0.799 3.208) 3.306 4.680 ( -0.000 -0.889 -2.106) 2.286 4.696 ( 0.000 1.509 3.020) 3.376 4.708 ( 0.000 -3.047 1.778) 3.528 4.811 ( 0.000 0.506 0.106) 0.517 4.846 ( -0.000 -0.559 -1.603) 1.698 4.867 ( 0.000 -0.247 2.482) 2.494 4.955 ( 0.000 1.513 0.885) 1.753 5.043 ( 0.000 -1.724 2.076) 2.699 5.063 ( -0.000 -1.740 0.878) 1.949 5.124 ( -0.000 -2.915 0.884) 3.046 5.159 ( -0.000 -3.698 -0.106) 3.700 5.240 ( 0.000 3.007 0.331) 3.025 5.307 ( -0.000 0.869 -3.083) 3.203 5.544 ( -0.000 -2.835 -3.102) 4.203 5.552 ( -0.000 -3.511 1.720) 3.909 5.784 ( 0.000 1.156 2.484) 2.739 5.883 ( -0.000 -0.764 -4.688) 4.750 6.252 ( -0.000 -6.960 3.049) 7.599 6.273 ( 0.000 -1.581 2.776) 3.194 ======================= Grid point 158 (66/95) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -6.717 3.934 5.001) 9.252 1.203 ( -4.271 6.321 14.124) 16.053 1.313 ( -9.209 -1.549 -4.553) 10.390 1.565 ( -2.274 0.541 -6.905) 7.290 1.632 ( 3.044 4.247 -3.642) 6.369 1.683 ( -0.310 -2.350 2.842) 3.701 1.820 ( -2.808 7.007 3.229) 8.211 1.923 ( 0.736 -5.659 -1.172) 5.826 1.975 ( -1.335 -2.881 4.340) 5.378 2.006 ( -1.833 -1.564 2.274) 3.313 2.065 ( 0.194 -0.630 2.165) 2.263 2.239 ( 0.562 -2.405 -2.876) 3.791 2.346 ( -0.819 -4.350 -1.576) 4.699 2.405 ( -0.582 3.179 -4.862) 5.838 2.439 ( 0.715 -0.871 -1.433) 1.823 2.542 ( -0.294 -5.155 4.496) 6.846 2.568 ( -1.795 -4.469 -2.521) 5.436 2.653 ( 0.085 3.143 -0.403) 3.170 2.692 ( 1.064 -4.044 -3.362) 5.366 2.725 ( -0.752 -4.689 -1.193) 4.896 2.931 ( 0.178 -2.570 1.455) 2.958 2.980 ( 0.717 -1.641 -2.791) 3.316 3.440 ( 1.102 7.799 1.948) 8.114 3.472 ( -0.074 6.901 1.455) 7.053 3.757 ( -0.963 0.483 0.335) 1.128 3.764 ( -0.565 0.614 0.106) 0.841 3.819 ( 0.881 0.821 -0.100) 1.208 3.895 ( -1.891 1.123 0.096) 2.201 3.930 ( -0.245 -1.046 0.224) 1.098 3.940 ( -0.539 -2.325 0.838) 2.530 4.039 ( -1.096 1.174 1.857) 2.456 4.118 ( -0.797 0.519 -2.199) 2.396 4.225 ( 0.694 -1.336 2.122) 2.602 4.238 ( 1.674 -0.903 -2.986) 3.541 4.256 ( 1.204 -0.333 -1.749) 2.149 4.281 ( 2.439 -0.431 -0.030) 2.477 4.350 ( -0.668 0.130 1.003) 1.212 4.393 ( 2.022 -0.560 -0.370) 2.130 4.414 ( 0.269 1.197 -0.770) 1.449 4.466 ( -0.868 0.529 0.671) 1.218 4.570 ( -0.772 4.355 4.373) 6.220 4.617 ( 3.745 -1.328 0.817) 4.056 4.695 ( 0.785 3.591 -0.778) 3.757 4.729 ( 0.634 1.669 1.933) 2.631 4.816 ( -1.116 -0.733 -2.159) 2.539 4.873 ( 1.535 0.749 2.514) 3.039 4.882 ( -4.134 -0.757 0.122) 4.204 4.954 ( 2.428 1.283 0.884) 2.884 5.036 ( -0.674 -3.987 0.299) 4.055 5.044 ( -0.734 -4.698 0.367) 4.769 5.129 ( -3.032 -1.722 0.525) 3.527 5.149 ( -3.186 -0.557 1.928) 3.765 5.259 ( 0.921 1.979 0.173) 2.190 5.313 ( -1.300 1.106 -1.724) 2.426 5.479 ( 1.381 -2.653 -1.786) 3.484 5.544 ( -2.567 -3.421 -0.302) 4.288 5.783 ( 3.310 -0.020 -1.292) 3.553 5.877 ( -2.869 0.088 0.857) 2.996 6.172 ( 2.186 -6.825 2.153) 7.483 6.209 ( 4.985 -3.668 0.767) 6.236 ======================= Grid point 159 (67/95) ======================= q-point: ( 0.75 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -9.234 -5.221 -0.301) 10.612 1.369 ( -3.188 0.599 9.985) 10.498 1.482 ( -4.961 3.499 3.508) 7.011 1.569 ( -5.487 -6.368 -6.879) 10.862 1.608 ( -0.173 1.361 -5.496) 5.665 1.669 ( 2.290 2.173 3.918) 5.032 1.830 ( -0.999 -3.858 0.263) 3.994 1.877 ( -0.354 -1.364 -3.179) 3.477 1.982 ( 2.531 -2.430 2.771) 4.471 2.042 ( -4.613 -1.674 5.378) 7.281 2.085 ( 4.522 -1.784 -4.958) 6.944 2.123 ( 0.089 -3.276 3.710) 4.950 2.338 ( 1.176 -5.939 -4.488) 7.536 2.362 ( -8.177 -6.361 1.856) 10.525 2.472 ( -2.057 1.402 -0.229) 2.500 2.514 ( -2.744 -4.408 -0.337) 5.203 2.562 ( -6.143 0.380 -5.395) 8.184 2.660 ( 3.877 1.296 -1.108) 4.235 2.676 ( 2.758 4.958 1.115) 5.782 2.730 ( -0.764 1.570 0.781) 1.913 2.912 ( -0.146 -1.445 1.382) 2.005 2.941 ( 0.251 -1.394 -1.676) 2.195 3.520 ( 1.319 8.117 1.298) 8.325 3.539 ( 1.664 5.678 1.023) 6.005 3.771 ( 0.038 0.428 -0.216) 0.481 3.775 ( -1.436 -0.408 -0.708) 1.652 3.810 ( 0.960 0.423 -0.354) 1.107 3.916 ( -0.336 -0.515 0.107) 0.624 3.940 ( -1.068 -0.816 0.860) 1.596 3.982 ( -2.483 4.301 1.432) 5.168 4.081 ( -1.222 -0.153 1.681) 2.084 4.122 ( -0.835 -0.184 -0.542) 1.013 4.163 ( 2.531 -1.445 -1.184) 3.146 4.214 ( 0.030 -0.342 0.683) 0.765 4.237 ( 0.220 -1.406 -0.445) 1.491 4.255 ( 1.053 1.214 0.548) 1.698 4.346 ( -0.073 -2.052 -2.573) 3.292 4.369 ( 0.020 1.477 0.873) 1.715 4.412 ( 1.917 1.385 -1.136) 2.624 4.479 ( 0.360 -0.355 0.453) 0.678 4.576 ( 0.676 -0.545 0.072) 0.871 4.627 ( 0.680 2.417 1.748) 3.059 4.736 ( 1.070 4.597 3.812) 6.067 4.748 ( 1.540 3.369 1.055) 3.851 4.828 ( -1.793 0.818 -3.035) 3.619 4.870 ( 0.605 1.022 1.122) 1.633 4.928 ( 0.255 -0.601 1.380) 1.527 4.931 ( -0.703 0.284 -1.325) 1.527 4.992 ( -0.541 -3.527 -0.281) 3.579 4.998 ( -0.143 -3.016 -1.022) 3.188 5.130 ( -0.491 -5.288 -0.136) 5.313 5.236 ( -4.899 0.489 2.767) 5.647 5.303 ( -3.721 2.239 1.647) 4.644 5.327 ( 0.126 -0.202 -0.709) 0.748 5.450 ( -0.757 0.588 -1.204) 1.540 5.555 ( -3.711 -1.887 -2.053) 4.642 5.698 ( 6.095 0.078 -1.050) 6.185 5.943 ( -2.934 -0.253 2.724) 4.012 6.059 ( 3.959 -5.714 0.076) 6.951 6.077 ( 5.035 -3.829 -0.007) 6.326 ======================= Grid point 160 (68/95) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -3.610 -7.858 -0.249) 8.652 1.392 ( 3.158 -0.825 5.240) 6.174 1.424 ( 4.217 -3.792 0.821) 5.730 1.527 ( -0.301 -5.399 -2.921) 6.146 1.665 ( -2.038 1.976 -2.061) 3.507 1.695 ( 5.731 2.617 1.752) 6.540 1.860 ( -5.153 -1.808 1.469) 5.655 1.883 ( -0.199 1.479 -2.559) 2.963 1.899 ( -3.556 -3.852 1.788) 5.539 1.966 ( 1.767 -4.058 -3.747) 5.798 2.124 ( -3.037 1.847 1.597) 3.897 2.168 ( -2.715 0.076 4.009) 4.842 2.237 ( -0.544 -4.105 -5.612) 6.974 2.403 ( 0.987 -1.529 1.988) 2.695 2.527 ( -9.657 -1.051 -1.137) 9.781 2.551 ( -2.057 -0.542 -0.221) 2.139 2.568 ( 5.116 -0.655 -0.335) 5.169 2.652 ( 4.009 1.411 0.285) 4.260 2.722 ( -9.557 3.480 -1.797) 10.329 2.753 ( 0.711 1.197 1.102) 1.775 2.904 ( 0.918 -0.732 0.932) 1.499 2.939 ( -2.011 -0.738 -0.351) 2.171 3.546 ( 4.069 2.785 0.374) 4.946 3.579 ( 1.984 5.409 0.769) 5.813 3.765 ( 0.827 0.006 -0.364) 0.904 3.791 ( -0.906 -0.532 -0.216) 1.073 3.809 ( -1.809 0.369 -0.759) 1.996 3.919 ( -0.437 0.163 -0.445) 0.645 3.961 ( -1.183 0.574 0.609) 1.449 4.016 ( 2.905 -0.004 0.166) 2.909 4.078 ( 0.477 -0.701 0.085) 0.852 4.128 ( -1.333 3.141 0.824) 3.510 4.187 ( -0.742 1.027 1.125) 1.694 4.226 ( -0.848 -0.398 -0.345) 0.999 4.231 ( 1.327 0.109 1.770) 2.215 4.245 ( 1.510 0.760 -0.946) 1.937 4.346 ( -6.206 -2.546 -2.054) 7.016 4.368 ( 2.727 -0.014 1.101) 2.941 4.404 ( -0.547 2.246 -0.767) 2.436 4.451 ( 1.542 -0.942 0.040) 1.808 4.576 ( -0.596 0.025 0.140) 0.613 4.652 ( -1.410 1.283 0.664) 2.019 4.767 ( 2.439 4.384 1.110) 5.138 4.791 ( -0.590 1.539 3.560) 3.923 4.822 ( 1.368 0.781 -2.328) 2.811 4.887 ( 0.928 -0.900 -1.902) 2.299 4.905 ( -3.187 0.386 -0.652) 3.276 4.961 ( -1.641 -0.444 1.308) 2.145 4.981 ( -1.735 -1.076 -2.101) 2.929 4.993 ( -1.356 -0.637 -0.077) 1.500 5.061 ( -0.206 -4.975 -0.156) 4.981 5.241 ( 5.652 0.156 0.315) 5.663 5.370 ( -6.189 0.028 2.041) 6.517 5.418 ( -6.330 0.406 1.470) 6.511 5.473 ( -0.403 1.201 -1.427) 1.908 5.590 ( 5.984 0.683 0.225) 6.027 5.600 ( -2.869 -0.242 -2.049) 3.534 5.906 ( 5.223 -1.975 1.098) 5.691 5.935 ( 4.351 -3.296 -1.111) 5.570 6.070 ( -5.104 -0.857 1.394) 5.360 ======================= Grid point 166 (69/95) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 6.725 11.980) 13.738 1.152 ( 0.000 7.434 10.123) 12.559 1.219 ( 0.000 0.175 -5.087) 5.090 1.454 ( 0.000 7.301 -10.464) 12.760 1.621 ( -0.000 11.867 1.822) 12.006 1.664 ( 0.000 0.017 -2.594) 2.594 1.734 ( 0.000 3.338 10.453) 10.973 1.977 ( 0.000 -2.035 -6.388) 6.704 1.998 ( -0.000 -2.282 1.373) 2.663 2.011 ( -0.000 -0.845 1.528) 1.746 2.132 ( 0.000 -2.559 5.199) 5.795 2.238 ( -0.000 -1.958 -4.528) 4.933 2.281 ( -0.000 3.025 -4.550) 5.463 2.345 ( 0.000 1.940 -4.065) 4.505 2.481 ( -0.000 -0.583 5.222) 5.254 2.539 ( -0.000 0.736 2.149) 2.271 2.565 ( 0.000 7.917 1.509) 8.060 2.640 ( 0.000 0.363 -7.140) 7.149 2.810 ( 0.000 -16.719 -0.185) 16.720 2.833 ( -0.000 -14.624 -1.810) 14.736 2.969 ( -0.000 -3.106 1.319) 3.374 2.992 ( 0.000 -2.036 -1.803) 2.720 3.387 ( -0.000 5.644 2.013) 5.992 3.398 ( 0.000 6.297 1.065) 6.386 3.746 ( 0.000 0.326 0.298) 0.442 3.748 ( 0.000 1.285 0.513) 1.384 3.821 ( 0.000 0.512 0.771) 0.926 3.862 ( 0.000 0.761 -2.046) 2.183 3.953 ( 0.000 -2.232 0.562) 2.301 3.963 ( -0.000 -2.425 -0.310) 2.445 4.028 ( -0.000 1.538 2.288) 2.757 4.083 ( -0.000 1.437 -2.741) 3.095 4.218 ( 0.000 1.748 -0.159) 1.756 4.250 ( 0.000 1.555 -2.627) 3.053 4.281 ( 0.000 -2.031 1.381) 2.456 4.306 ( 0.000 -1.060 -0.820) 1.340 4.353 ( 0.000 -0.461 2.338) 2.383 4.405 ( 0.000 -1.507 -2.972) 3.332 4.422 ( 0.000 1.147 3.936) 4.100 4.467 ( 0.000 -1.843 -0.538) 1.920 4.546 ( 0.000 0.758 4.058) 4.128 4.640 ( -0.000 0.890 -4.345) 4.435 4.728 ( -0.000 -2.543 1.817) 3.125 4.731 ( 0.000 -0.742 2.264) 2.382 4.808 ( -0.000 0.108 -0.256) 0.277 4.827 ( 0.000 -0.224 -1.871) 1.884 4.903 ( -0.000 0.632 3.803) 3.855 4.957 ( -0.000 1.457 -0.687) 1.611 5.061 ( 0.000 -2.046 1.322) 2.437 5.070 ( 0.000 -2.009 0.378) 2.044 5.136 ( 0.000 -2.737 1.231) 3.002 5.157 ( -0.000 -3.794 -0.390) 3.814 5.241 ( -0.000 3.078 0.229) 3.086 5.275 ( 0.000 0.757 -2.830) 2.929 5.533 ( 0.000 -3.368 0.704) 3.441 5.561 ( -0.000 -3.166 -0.155) 3.170 5.801 ( -0.000 1.556 1.125) 1.920 5.839 ( -0.000 0.309 -3.401) 3.415 6.282 ( 0.000 -6.219 2.395) 6.664 6.295 ( -0.000 -3.182 1.329) 3.449 ======================= Grid point 167 (70/95) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -3.957 -0.088 2.839) 4.871 1.272 ( -12.807 2.049 -2.591) 13.227 1.347 ( -3.418 4.190 13.011) 14.090 1.471 ( -3.145 2.032 -10.568) 11.212 1.604 ( 5.369 5.471 -1.455) 7.802 1.710 ( -0.807 -1.088 1.504) 2.024 1.861 ( -0.706 1.780 4.065) 4.493 1.903 ( 0.594 -5.326 -2.517) 5.921 2.004 ( -0.671 1.236 2.259) 2.661 2.036 ( -2.117 1.149 0.480) 2.456 2.084 ( 1.092 -4.500 1.512) 4.871 2.221 ( 0.375 -1.077 -0.433) 1.220 2.307 ( -5.302 -2.729 -2.917) 6.639 2.352 ( -1.290 2.140 -4.092) 4.795 2.452 ( 1.219 -3.108 1.900) 3.841 2.540 ( -1.388 -9.812 -1.577) 10.035 2.594 ( 1.286 -7.038 3.211) 7.842 2.651 ( 1.614 6.446 0.013) 6.645 2.661 ( 0.100 1.307 -2.262) 2.614 2.714 ( -1.505 -5.480 -0.639) 5.718 2.941 ( 0.273 -2.600 0.630) 2.689 2.958 ( 0.222 -2.112 -1.251) 2.465 3.455 ( 1.176 7.520 0.819) 7.655 3.481 ( -0.252 6.695 0.443) 6.714 3.760 ( -0.485 0.605 0.313) 0.836 3.763 ( -0.249 0.455 -0.198) 0.556 3.820 ( 1.315 0.889 0.184) 1.598 3.896 ( -3.067 2.156 0.132) 3.751 3.929 ( 0.233 -1.223 -0.205) 1.262 3.946 ( -0.687 -1.897 0.370) 2.051 4.058 ( -0.675 1.855 1.663) 2.581 4.095 ( -1.041 0.392 -1.860) 2.167 4.215 ( 1.843 -0.643 -0.898) 2.149 4.240 ( 0.302 -0.959 -0.787) 1.277 4.250 ( 0.681 -0.584 1.665) 1.891 4.276 ( 1.531 -1.187 -0.839) 2.112 4.351 ( 0.329 -2.696 -0.551) 2.771 4.380 ( 0.553 0.270 -0.460) 0.768 4.423 ( 1.685 1.710 0.795) 2.529 4.474 ( -1.433 -0.428 0.531) 1.587 4.606 ( 0.334 3.060 2.397) 3.902 4.620 ( 2.726 0.053 -0.312) 2.744 4.685 ( 1.607 6.570 -0.784) 6.809 4.752 ( -0.233 0.080 1.946) 1.961 4.793 ( -0.283 -0.781 -1.808) 1.990 4.882 ( -4.508 -0.333 0.046) 4.520 4.897 ( 2.533 0.525 1.640) 3.063 4.957 ( 1.960 1.008 -0.149) 2.209 5.038 ( 0.365 -3.754 0.022) 3.772 5.047 ( -1.270 -6.106 0.166) 6.239 5.132 ( -2.957 -1.587 0.166) 3.360 5.168 ( -4.267 -0.309 1.267) 4.461 5.253 ( 0.661 2.335 -0.811) 2.559 5.303 ( -1.491 2.026 -0.352) 2.540 5.464 ( 1.845 -2.941 -0.624) 3.528 5.546 ( -1.999 -4.167 0.151) 4.624 5.769 ( 4.214 0.637 -0.897) 4.355 5.885 ( -4.225 0.751 0.436) 4.313 6.194 ( 3.604 -6.181 1.930) 7.411 6.209 ( 4.451 -5.043 -0.719) 6.764 ======================= Grid point 168 (71/95) ======================= q-point: ( 0.88 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -9.329 -5.894 0.000) 11.035 1.451 ( 0.259 0.353 -0.000) 0.438 1.502 ( -7.092 -5.073 0.000) 8.719 1.512 ( -10.842 3.545 0.000) 11.407 1.565 ( 4.709 1.805 -0.000) 5.043 1.697 ( 2.533 2.453 -0.000) 3.526 1.833 ( 0.068 -3.484 0.000) 3.484 1.854 ( -1.090 -2.400 0.000) 2.636 2.005 ( 0.918 -1.656 0.000) 1.893 2.051 ( 5.314 -2.240 -0.000) 5.767 2.072 ( -3.137 -1.817 0.000) 3.625 2.152 ( -0.103 -2.544 0.000) 2.546 2.305 ( 1.336 -8.055 0.000) 8.165 2.367 ( -10.532 -7.229 0.000) 12.774 2.491 ( 2.352 0.117 -0.000) 2.354 2.503 ( -4.808 -3.213 0.000) 5.783 2.525 ( -7.687 1.979 0.000) 7.938 2.654 ( 4.286 0.737 -0.000) 4.349 2.683 ( 3.423 5.224 -0.000) 6.245 2.735 ( -1.491 1.755 -0.000) 2.303 2.923 ( -0.923 -1.431 0.000) 1.703 2.928 ( 0.559 -1.341 0.000) 1.453 3.527 ( 1.330 8.150 -0.000) 8.258 3.544 ( 1.644 5.663 -0.000) 5.897 3.770 ( -1.507 -0.718 0.000) 1.669 3.771 ( 0.449 0.708 -0.000) 0.839 3.809 ( 1.059 0.304 -0.000) 1.101 3.917 ( 0.092 -0.297 0.000) 0.311 3.945 ( -1.122 -0.724 0.000) 1.335 3.990 ( -2.478 4.619 -0.000) 5.241 4.092 ( -0.048 -1.013 0.000) 1.014 4.116 ( -2.779 1.786 0.000) 3.304 4.155 ( 3.079 -0.987 -0.000) 3.233 4.218 ( -0.241 -0.982 0.000) 1.011 4.234 ( 0.698 -1.407 0.000) 1.571 4.274 ( 0.478 2.124 -0.000) 2.177 4.312 ( -1.613 -3.954 0.000) 4.271 4.379 ( 0.321 0.986 -0.000) 1.037 4.409 ( 2.595 1.056 -0.000) 2.801 4.482 ( 0.392 -0.546 0.000) 0.672 4.576 ( 0.565 -0.681 0.000) 0.885 4.636 ( 1.321 2.519 -0.000) 2.844 4.746 ( 2.721 7.264 -0.000) 7.756 4.776 ( -0.320 2.066 -0.000) 2.090 4.801 ( -1.876 0.839 0.000) 2.055 4.879 ( 1.129 1.046 -0.000) 1.539 4.918 ( 1.986 -0.098 -0.000) 1.989 4.939 ( -2.622 -1.249 0.000) 2.904 4.989 ( 0.184 -3.426 0.000) 3.431 4.993 ( -0.339 -3.347 0.000) 3.364 5.130 ( -0.346 -5.483 0.000) 5.494 5.252 ( -4.794 0.731 0.000) 4.849 5.311 ( -4.682 2.684 0.000) 5.397 5.324 ( 0.762 0.372 -0.000) 0.848 5.442 ( -1.197 0.105 0.000) 1.202 5.544 ( -3.384 -2.431 0.000) 4.167 5.693 ( 6.248 0.652 -0.000) 6.282 5.958 ( -3.358 -0.036 0.000) 3.358 6.060 ( 5.780 -4.910 -0.000) 7.584 6.076 ( 3.686 -4.949 0.000) 6.171 ======================= Grid point 176 (72/95) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.000 3.517 -12.272) 12.766 1.069 ( 0.000 3.517 12.272) 12.766 1.331 ( -0.000 6.818 -13.181) 14.840 1.331 ( 0.000 6.818 13.181) 14.840 1.639 ( 0.000 4.041 -1.401) 4.277 1.639 ( 0.000 4.041 1.401) 4.277 1.865 ( -0.000 4.768 -13.314) 14.142 1.865 ( 0.000 4.768 13.314) 14.142 2.011 ( -0.000 -2.139 -0.891) 2.317 2.011 ( -0.000 -2.139 0.891) 2.317 2.187 ( -0.000 -1.909 -4.873) 5.234 2.187 ( 0.000 -1.909 4.873) 5.234 2.294 ( -0.000 -0.347 -4.859) 4.872 2.294 ( 0.000 -0.347 4.859) 4.872 2.533 ( -0.000 -0.443 -3.538) 3.565 2.533 ( 0.000 -0.443 3.538) 3.565 2.585 ( 0.000 6.122 -2.789) 6.728 2.585 ( 0.000 6.122 2.789) 6.728 2.815 ( -0.000 -15.924 -0.998) 15.955 2.815 ( -0.000 -15.924 0.998) 15.955 2.979 ( -0.000 -2.885 -0.856) 3.009 2.979 ( -0.000 -2.885 0.856) 3.009 3.401 ( 0.000 5.762 -0.483) 5.783 3.401 ( 0.000 5.762 0.483) 5.783 3.749 ( 0.000 0.917 -0.184) 0.935 3.749 ( 0.000 0.917 0.184) 0.935 3.838 ( -0.000 0.708 -2.111) 2.227 3.838 ( 0.000 0.708 2.111) 2.227 3.959 ( -0.000 -2.173 -0.405) 2.211 3.959 ( 0.000 -2.173 0.405) 2.211 4.054 ( -0.000 1.551 -2.653) 3.073 4.054 ( 0.000 1.551 2.653) 3.073 4.226 ( -0.000 1.346 -1.695) 2.164 4.226 ( 0.000 1.346 1.695) 2.164 4.295 ( -0.000 -1.623 -1.205) 2.021 4.295 ( 0.000 -1.623 1.205) 2.021 4.377 ( -0.000 -0.945 -2.435) 2.612 4.377 ( 0.000 -0.945 2.435) 2.612 4.454 ( -0.000 -0.784 -1.908) 2.063 4.454 ( 0.000 -0.784 1.908) 2.063 4.592 ( -0.000 1.304 -4.633) 4.813 4.592 ( 0.000 1.304 4.633) 4.813 4.741 ( -0.000 -1.719 -0.063) 1.720 4.741 ( 0.000 -1.719 0.063) 1.720 4.811 ( -0.000 0.039 -0.712) 0.713 4.811 ( 0.000 0.039 0.712) 0.713 4.939 ( -0.000 1.100 -2.630) 2.851 4.939 ( 0.000 1.100 2.630) 2.851 5.070 ( -0.000 -2.126 -0.382) 2.160 5.070 ( -0.000 -2.126 0.382) 2.160 5.149 ( -0.000 -3.106 -1.133) 3.306 5.149 ( -0.000 -3.106 1.133) 3.306 5.251 ( -0.000 1.722 -1.585) 2.340 5.251 ( 0.000 1.722 1.585) 2.340 5.549 ( -0.000 -3.286 -1.535) 3.627 5.549 ( 0.000 -3.286 1.535) 3.627 5.814 ( -0.000 1.199 -1.247) 1.730 5.814 ( 0.000 1.199 1.247) 1.730 6.299 ( -0.000 -4.821 -0.671) 4.867 6.299 ( -0.000 -4.821 0.671) 4.867 ======================= Grid point 182 (73/95) ======================= q-point: ( 0.38 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 9.362 -0.000 3.477) 9.987 1.171 ( 4.874 0.000 -2.916) 5.680 1.289 ( 11.693 0.000 -3.721) 12.271 1.308 ( 1.755 -0.000 -5.480) 5.754 1.737 ( 0.092 -0.000 7.661) 7.661 1.830 ( -6.525 -0.000 -1.079) 6.614 1.882 ( -0.116 0.000 2.925) 2.927 1.960 ( -5.956 -0.000 -3.123) 6.725 2.024 ( -6.486 -0.000 4.094) 7.670 2.069 ( 7.244 -0.000 7.577) 10.482 2.109 ( -5.811 0.000 -3.527) 6.797 2.123 ( -2.524 0.000 0.311) 2.543 2.280 ( 3.144 -0.000 -2.014) 3.733 2.391 ( 6.837 -0.000 -4.891) 8.407 2.434 ( 7.527 -0.000 2.003) 7.788 2.485 ( 4.183 0.000 -0.525) 4.216 2.644 ( -2.281 -0.000 2.265) 3.215 2.709 ( -9.246 0.000 -1.138) 9.316 2.733 ( -3.963 -0.000 0.818) 4.047 2.784 ( 1.489 0.000 -4.663) 4.895 2.954 ( -5.361 0.000 1.845) 5.670 2.970 ( -2.125 -0.000 0.165) 2.131 3.499 ( 2.771 -0.000 0.862) 2.902 3.528 ( 1.988 0.000 -1.894) 2.745 3.795 ( -0.349 -0.000 1.780) 1.813 3.811 ( -0.775 -0.000 0.289) 0.828 3.889 ( -2.288 0.000 0.879) 2.451 3.928 ( -1.076 -0.000 -2.824) 3.022 3.985 ( 2.617 0.000 1.703) 3.122 4.043 ( 3.510 -0.000 -3.478) 4.941 4.051 ( -4.781 -0.000 6.663) 8.201 4.079 ( 1.556 0.000 1.637) 2.258 4.133 ( -1.708 -0.000 -2.130) 2.730 4.204 ( -4.934 -0.000 -5.826) 7.635 4.245 ( -1.631 0.000 0.168) 1.640 4.257 ( -2.090 -0.000 0.125) 2.093 4.360 ( 2.852 -0.000 2.693) 3.923 4.379 ( 4.975 -0.000 0.766) 5.034 4.410 ( 1.156 0.000 1.198) 1.665 4.443 ( 0.101 -0.000 -1.237) 1.241 4.569 ( -0.618 0.000 0.479) 0.782 4.632 ( -3.088 -0.000 -4.847) 5.747 4.750 ( -3.474 0.000 0.915) 3.592 4.782 ( -4.596 -0.000 -2.279) 5.130 4.885 ( 0.933 -0.000 2.621) 2.782 4.914 ( 0.398 0.000 -0.066) 0.404 4.978 ( 1.487 0.000 2.213) 2.666 5.011 ( -1.362 0.000 2.468) 2.819 5.023 ( -0.631 -0.000 -1.566) 1.688 5.043 ( -0.806 0.000 -0.685) 1.058 5.089 ( -2.839 0.000 2.882) 4.045 5.136 ( 3.087 0.000 -0.786) 3.185 5.402 ( -8.623 -0.000 0.002) 8.623 5.418 ( 0.381 0.000 0.163) 0.415 5.469 ( 6.093 -0.000 -0.671) 6.130 5.492 ( -1.095 -0.000 -3.667) 3.827 5.792 ( -2.247 -0.000 8.123) 8.428 5.872 ( 0.717 -0.000 1.231) 1.425 5.881 ( 0.798 0.000 0.361) 0.876 5.982 ( -3.115 0.000 -9.122) 9.639 ======================= Grid point 191 (74/95) ======================= q-point: ( 0.38 0.75 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -2.204 -3.415 -0.233) 4.071 1.232 ( -2.133 -4.918 -1.723) 5.631 1.375 ( 10.858 0.721 0.032) 10.882 1.495 ( 5.080 -7.422 -1.650) 9.144 1.727 ( -6.554 -1.849 0.419) 6.823 1.728 ( -3.121 -1.171 0.441) 3.363 1.859 ( -3.350 0.355 1.093) 3.542 1.896 ( -2.140 -2.818 1.318) 3.776 1.941 ( -5.583 -1.583 0.281) 5.810 1.971 ( -8.826 -1.864 -2.372) 9.327 2.085 ( 1.298 2.381 0.755) 2.814 2.170 ( -0.508 -4.098 -1.189) 4.297 2.326 ( 1.103 5.859 4.517) 7.480 2.425 ( 1.905 2.472 -2.078) 3.749 2.533 ( 0.223 -3.475 1.281) 3.711 2.569 ( 0.126 -4.809 -0.949) 4.903 2.592 ( -1.036 1.350 1.095) 2.023 2.620 ( 0.913 1.372 -0.957) 1.906 2.702 ( -0.675 1.257 0.907) 1.690 2.775 ( -0.617 -3.057 -2.387) 3.928 2.882 ( -1.979 3.889 1.362) 4.572 2.957 ( -0.766 -1.857 0.191) 2.017 3.520 ( 2.107 3.631 -0.217) 4.204 3.525 ( 1.783 4.074 -1.135) 4.590 3.792 ( -0.285 0.428 0.526) 0.736 3.805 ( -1.044 -0.673 0.183) 1.256 3.863 ( -1.378 0.601 1.432) 2.076 3.901 ( -1.451 -1.275 -1.685) 2.563 3.989 ( -4.142 1.164 3.470) 5.527 4.020 ( -2.412 3.408 -1.057) 4.306 4.055 ( 2.992 0.703 0.377) 3.096 4.083 ( -0.608 0.560 -0.859) 1.192 4.108 ( -1.580 -1.759 -1.592) 2.850 4.134 ( 1.858 -1.998 -3.871) 4.736 4.239 ( 0.484 -0.122 0.024) 0.499 4.252 ( 0.220 -0.819 0.632) 1.058 4.387 ( 0.647 2.312 0.780) 2.524 4.416 ( 1.035 1.802 2.929) 3.592 4.444 ( 2.672 0.560 0.789) 2.842 4.485 ( 4.276 0.571 0.446) 4.337 4.540 ( -1.261 1.745 -2.378) 3.208 4.591 ( -1.690 -2.006 -1.276) 2.917 4.679 ( -1.140 2.285 -0.828) 2.685 4.723 ( -4.270 -1.530 -0.702) 4.590 4.896 ( 0.149 2.022 0.638) 2.125 4.907 ( 0.217 2.732 -0.009) 2.741 4.958 ( -2.587 0.406 2.398) 3.551 4.987 ( -1.077 0.865 -0.420) 1.443 4.989 ( -0.911 0.896 -0.459) 1.358 5.026 ( -2.817 -0.883 0.052) 2.952 5.120 ( 0.491 -1.942 2.809) 3.450 5.224 ( 5.448 -4.322 -1.168) 7.052 5.276 ( -8.347 -1.709 0.188) 8.522 5.309 ( -6.431 -0.521 -3.285) 7.240 5.531 ( 1.503 3.318 0.770) 3.723 5.576 ( 6.108 -0.740 -0.366) 6.164 5.755 ( -3.428 0.722 4.767) 5.916 5.845 ( -2.557 -1.699 -2.878) 4.208 5.937 ( 4.894 -0.110 -1.720) 5.188 5.992 ( 2.147 -5.064 -0.072) 5.501 ======================= Grid point 192 (75/95) ======================= q-point: (-0.50 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 6.585 -0.000 -3.252) 7.345 1.140 ( 6.585 0.000 3.252) 7.345 1.273 ( 7.365 -0.000 -0.299) 7.371 1.273 ( 7.365 -0.000 0.299) 7.371 1.801 ( -3.105 -0.000 -4.506) 5.472 1.801 ( -3.105 0.000 4.506) 5.472 1.917 ( -3.161 -0.000 -4.058) 5.144 1.917 ( -3.161 0.000 4.058) 5.144 2.069 ( -7.462 -0.000 -3.711) 8.334 2.069 ( -7.462 0.000 3.711) 8.334 2.123 ( 0.052 0.000 -0.405) 0.408 2.123 ( 0.052 0.000 0.405) 0.408 2.305 ( 9.798 -0.000 -7.144) 12.126 2.305 ( 9.798 0.000 7.144) 12.126 2.471 ( 4.699 -0.000 -1.824) 5.040 2.471 ( 4.699 -0.000 1.824) 5.040 2.680 ( -5.435 -0.000 -4.022) 6.762 2.680 ( -5.435 0.000 4.022) 6.762 2.748 ( -2.126 -0.000 -2.047) 2.951 2.748 ( -2.126 0.000 2.047) 2.951 2.967 ( -3.307 0.000 -0.303) 3.321 2.967 ( -3.307 0.000 0.303) 3.321 3.511 ( 2.080 -0.000 -1.358) 2.484 3.511 ( 2.080 0.000 1.358) 2.484 3.809 ( -0.653 -0.000 -0.624) 0.903 3.809 ( -0.653 0.000 0.624) 0.903 3.903 ( -1.533 -0.000 -1.574) 2.198 3.903 ( -1.533 0.000 1.574) 2.198 4.009 ( 3.233 -0.000 -2.790) 4.270 4.009 ( 3.233 0.000 2.790) 4.270 4.096 ( 0.625 -0.000 -0.506) 0.804 4.096 ( 0.625 -0.000 0.506) 0.804 4.136 ( -6.923 -0.000 -5.250) 8.688 4.136 ( -6.923 0.000 5.250) 8.688 4.254 ( -1.669 0.000 -0.374) 1.710 4.254 ( -1.669 0.000 0.374) 1.710 4.378 ( 4.074 -0.000 -0.541) 4.110 4.378 ( 4.074 0.000 0.541) 4.110 4.428 ( 1.275 -0.000 -1.616) 2.059 4.428 ( 1.275 0.000 1.616) 2.059 4.588 ( -1.931 -0.000 -2.771) 3.378 4.588 ( -1.931 0.000 2.771) 3.378 4.763 ( -4.455 0.000 -0.714) 4.512 4.763 ( -4.455 0.000 0.714) 4.512 4.907 ( 0.710 0.000 -1.166) 1.365 4.907 ( 0.710 0.000 1.166) 1.365 5.001 ( 0.491 -0.000 -2.066) 2.124 5.001 ( 0.491 0.000 2.066) 2.124 5.033 ( -0.694 0.000 -0.715) 0.996 5.033 ( -0.694 0.000 0.715) 0.996 5.118 ( 0.121 -0.000 -2.468) 2.471 5.118 ( 0.121 0.000 2.468) 2.471 5.412 ( -7.910 0.000 -1.154) 7.993 5.412 ( -7.910 0.000 1.154) 7.993 5.468 ( 5.949 -0.000 -0.652) 5.984 5.468 ( 5.949 -0.000 0.652) 5.984 5.880 ( -3.769 0.000 -0.972) 3.892 5.880 ( -3.769 0.000 0.972) 3.892 5.886 ( 1.823 -0.000 -7.557) 7.774 5.886 ( 1.823 0.000 7.557) 7.774 ======================= Grid point 200 (76/95) ======================= q-point: ( 0.38 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -5.644 1.606 0.000) 5.868 1.152 ( -8.843 2.183 0.000) 9.108 1.442 ( -9.536 -2.664 0.000) 9.901 1.544 ( 8.142 2.635 -0.000) 8.558 1.667 ( -4.288 -8.987 0.000) 9.957 1.804 ( -5.688 -3.471 0.000) 6.664 1.805 ( -6.938 -2.597 0.000) 7.408 1.869 ( 3.539 -2.410 -0.000) 4.281 1.882 ( -3.870 -2.764 0.000) 4.756 2.019 ( 3.912 -8.375 0.000) 9.244 2.072 ( -0.966 3.906 -0.000) 4.023 2.202 ( 0.184 -3.657 0.000) 3.661 2.271 ( 0.289 1.157 -0.000) 1.193 2.357 ( -2.086 3.118 -0.000) 3.752 2.535 ( -4.337 -2.340 0.000) 4.928 2.557 ( -0.984 5.079 -0.000) 5.174 2.621 ( -2.294 -9.824 0.000) 10.089 2.633 ( 1.415 0.697 -0.000) 1.578 2.717 ( 2.924 0.303 -0.000) 2.939 2.814 ( -0.614 4.738 -0.000) 4.778 2.822 ( 0.733 -3.688 0.000) 3.760 2.993 ( 1.666 -2.497 0.000) 3.002 3.475 ( 1.226 7.702 -0.000) 7.799 3.494 ( 1.629 6.359 -0.000) 6.564 3.784 ( -2.138 -0.072 0.000) 2.140 3.788 ( -0.297 0.173 0.000) 0.344 3.839 ( -1.311 0.693 0.000) 1.483 3.896 ( -0.868 -1.526 0.000) 1.756 3.936 ( -2.698 0.404 0.000) 2.728 3.936 ( -2.574 0.716 0.000) 2.672 4.035 ( -2.154 0.286 0.000) 2.173 4.125 ( 0.054 -3.798 0.000) 3.798 4.155 ( 8.127 0.798 -0.000) 8.166 4.170 ( 0.959 -0.140 -0.000) 0.970 4.258 ( 1.488 -0.254 -0.000) 1.510 4.280 ( 1.988 -0.826 -0.000) 2.153 4.356 ( -0.871 2.244 -0.000) 2.407 4.408 ( 0.373 2.941 -0.000) 2.965 4.472 ( 2.218 2.760 -0.000) 3.541 4.482 ( -1.916 1.640 0.000) 2.522 4.526 ( 2.177 2.013 -0.000) 2.965 4.580 ( -1.326 -0.103 0.000) 1.330 4.677 ( -2.549 -0.998 0.000) 2.737 4.688 ( 4.001 1.115 -0.000) 4.153 4.864 ( -1.523 1.236 0.000) 1.961 4.873 ( 0.289 2.706 -0.000) 2.721 4.925 ( -1.768 1.501 0.000) 2.319 4.948 ( -1.724 0.573 0.000) 1.817 4.997 ( 0.376 -2.275 0.000) 2.306 5.010 ( -1.468 -2.642 0.000) 3.023 5.140 ( -2.898 -3.309 0.000) 4.398 5.176 ( -5.796 -0.401 0.000) 5.809 5.240 ( -1.198 0.603 0.000) 1.341 5.351 ( 2.813 -6.227 0.000) 6.832 5.453 ( -2.921 5.126 -0.000) 5.900 5.660 ( 1.808 -1.732 -0.000) 2.504 5.737 ( -1.565 -0.172 0.000) 1.574 5.829 ( -0.258 -3.127 0.000) 3.137 6.053 ( 7.906 -1.574 -0.000) 8.061 6.074 ( 0.475 -5.879 0.000) 5.898 ======================= Grid point 208 (77/95) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.000 5.349 -0.000) 5.349 1.026 ( 0.000 7.265 -0.000) 7.265 1.258 ( -0.000 -5.294 0.000) 5.294 1.588 ( -0.000 -0.562 0.000) 0.562 1.603 ( -0.000 -7.239 0.000) 7.239 1.667 ( -0.000 -3.520 0.000) 3.520 1.845 ( 0.000 0.480 -0.000) 0.480 1.879 ( -0.000 -5.622 0.000) 5.622 1.897 ( 0.000 9.150 -0.000) 9.150 1.988 ( -0.000 -2.314 0.000) 2.314 2.005 ( 0.000 1.619 -0.000) 1.619 2.294 ( -0.000 -6.130 0.000) 6.130 2.339 ( 0.000 0.940 -0.000) 0.940 2.348 ( 0.000 0.499 -0.000) 0.499 2.375 ( -0.000 -15.306 0.000) 15.306 2.535 ( 0.000 3.808 -0.000) 3.808 2.571 ( -0.000 -10.340 0.000) 10.340 2.607 ( 0.000 1.526 -0.000) 1.526 2.773 ( 0.000 1.145 -0.000) 1.145 2.815 ( 0.000 5.044 -0.000) 5.044 2.849 ( -0.000 -0.546 0.000) 0.546 3.020 ( -0.000 -3.812 0.000) 3.812 3.497 ( 0.000 7.674 -0.000) 7.674 3.523 ( 0.000 6.953 -0.000) 6.953 3.744 ( 0.000 1.177 -0.000) 1.177 3.766 ( 0.000 2.233 -0.000) 2.233 3.831 ( -0.000 -0.927 0.000) 0.927 3.884 ( -0.000 -0.855 0.000) 0.855 3.885 ( -0.000 -1.769 0.000) 1.769 3.889 ( -0.000 -2.250 0.000) 2.250 4.008 ( 0.000 0.954 -0.000) 0.954 4.132 ( -0.000 -4.958 0.000) 4.958 4.180 ( 0.000 1.919 -0.000) 1.919 4.275 ( -0.000 -1.999 0.000) 1.999 4.320 ( 0.000 1.916 -0.000) 1.916 4.341 ( 0.000 0.741 -0.000) 0.741 4.350 ( 0.000 0.813 -0.000) 0.813 4.381 ( -0.000 -2.038 0.000) 2.038 4.439 ( 0.000 1.374 -0.000) 1.374 4.519 ( 0.000 8.532 -0.000) 8.532 4.551 ( -0.000 -1.816 0.000) 1.816 4.598 ( 0.000 1.798 -0.000) 1.798 4.663 ( 0.000 1.436 -0.000) 1.436 4.796 ( 0.000 2.139 -0.000) 2.139 4.811 ( 0.000 0.670 -0.000) 0.670 4.842 ( -0.000 -0.751 0.000) 0.751 4.884 ( 0.000 2.867 -0.000) 2.867 4.961 ( 0.000 1.203 -0.000) 1.203 4.976 ( -0.000 -2.164 0.000) 2.164 4.998 ( -0.000 -2.647 0.000) 2.647 5.068 ( -0.000 -0.631 0.000) 0.631 5.094 ( -0.000 -1.908 0.000) 1.908 5.238 ( -0.000 -0.733 0.000) 0.733 5.383 ( -0.000 -6.652 0.000) 6.652 5.400 ( 0.000 2.615 -0.000) 2.615 5.606 ( -0.000 -3.431 0.000) 3.431 5.710 ( 0.000 1.991 -0.000) 1.991 5.878 ( -0.000 -4.041 0.000) 4.041 6.082 ( -0.000 -3.534 0.000) 3.534 6.190 ( -0.000 -3.670 0.000) 3.670 ======================= Grid point 209 (78/95) ======================= q-point: ( 0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -5.945 -1.059 -1.933) 6.340 1.073 ( -5.005 -3.268 3.543) 6.949 1.332 ( -5.830 6.723 1.376) 9.004 1.520 ( -2.488 -8.419 0.064) 8.779 1.643 ( -6.004 -0.200 -0.320) 6.016 1.681 ( -5.474 -2.764 2.996) 6.825 1.758 ( 9.834 5.035 0.075) 11.049 1.850 ( 0.076 1.148 -0.287) 1.186 1.919 ( 3.432 -2.849 0.152) 4.463 1.960 ( 4.578 -9.951 0.918) 10.992 2.069 ( -5.357 4.632 -0.723) 7.119 2.175 ( -1.002 -6.335 0.080) 6.414 2.278 ( -0.472 3.139 -3.808) 4.958 2.348 ( -0.600 0.333 0.827) 1.075 2.416 ( -3.856 -3.296 -1.409) 5.265 2.497 ( -1.975 -5.805 3.158) 6.897 2.581 ( -1.931 2.887 -0.689) 3.541 2.622 ( -1.722 -0.598 -1.315) 2.247 2.775 ( 2.132 2.115 -0.550) 3.053 2.815 ( 1.759 -0.588 -2.399) 3.032 2.874 ( 0.451 3.793 1.566) 4.128 2.969 ( 0.542 -4.053 -0.772) 4.161 3.564 ( 0.751 4.747 0.816) 4.875 3.577 ( 1.034 3.618 0.748) 3.836 3.768 ( -0.863 1.251 0.089) 1.523 3.787 ( -0.148 0.263 -0.286) 0.416 3.831 ( -0.636 0.845 -0.165) 1.070 3.870 ( -0.483 -1.251 1.006) 1.677 3.888 ( -2.119 -0.695 0.166) 2.236 3.896 ( -2.526 -1.001 0.684) 2.802 4.027 ( -0.549 1.439 0.674) 1.681 4.082 ( 0.025 -3.710 0.501) 3.744 4.194 ( 1.011 1.524 -0.156) 1.835 4.231 ( 2.546 -1.694 0.012) 3.058 4.299 ( 3.254 -0.047 -2.546) 4.132 4.324 ( 2.928 0.066 1.868) 3.474 4.363 ( -1.271 1.796 0.027) 2.200 4.390 ( -1.923 -0.557 -0.859) 2.179 4.467 ( -0.992 1.924 -2.452) 3.271 4.522 ( -0.356 -1.221 -2.186) 2.529 4.590 ( 1.424 2.382 1.152) 3.004 4.597 ( 2.302 2.931 2.836) 4.683 4.679 ( 1.596 2.828 1.213) 3.466 4.761 ( 3.758 -1.796 1.613) 4.466 4.840 ( -2.311 0.571 -0.915) 2.550 4.858 ( -2.408 -0.140 0.553) 2.474 4.924 ( -0.801 2.528 -1.172) 2.899 4.959 ( -0.303 -0.024 -0.561) 0.638 4.968 ( -0.262 -0.835 0.420) 0.971 4.984 ( -0.058 -0.436 1.126) 1.209 5.073 ( -1.075 -0.773 0.356) 1.371 5.097 ( -2.302 -1.459 0.358) 2.749 5.244 ( -0.628 0.909 0.778) 1.351 5.312 ( 0.096 -4.961 -0.131) 4.964 5.463 ( -2.921 4.666 0.190) 5.508 5.582 ( -3.807 -4.653 -3.325) 6.869 5.746 ( 0.406 1.825 2.439) 3.073 5.814 ( 1.673 -3.517 0.671) 3.952 6.054 ( 1.512 -0.297 -0.169) 1.551 6.112 ( 3.766 -4.068 0.029) 5.543 ======================= Grid point 210 (79/95) ======================= q-point: (-0.38 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -6.486 -0.000 -3.306) 7.279 1.176 ( -4.920 0.000 6.135) 7.864 1.476 ( -0.551 0.000 0.246) 0.603 1.510 ( -3.705 0.000 2.037) 4.228 1.675 ( 2.804 -0.000 -2.727) 3.911 1.727 ( 5.417 0.000 2.261) 5.870 1.764 ( -5.009 0.000 0.106) 5.010 1.800 ( -5.159 0.000 2.087) 5.565 1.871 ( -3.133 0.000 1.263) 3.378 1.902 ( -0.981 0.000 1.717) 1.978 2.098 ( 0.719 -0.000 -2.710) 2.804 2.175 ( 0.464 0.000 2.466) 2.509 2.358 ( -5.726 -0.000 -4.265) 7.140 2.364 ( -0.576 -0.000 -7.729) 7.750 2.422 ( -6.024 0.000 1.987) 6.343 2.513 ( -0.930 0.000 2.502) 2.670 2.634 ( -0.930 -0.000 -1.510) 1.773 2.644 ( -1.846 0.000 1.525) 2.395 2.748 ( 4.095 -0.000 0.014) 4.095 2.755 ( 1.165 -0.000 -1.296) 1.742 2.900 ( 1.158 -0.000 -0.929) 1.484 2.927 ( -0.573 0.000 0.171) 0.598 3.578 ( 1.976 0.000 1.322) 2.377 3.583 ( 1.352 0.000 1.725) 2.192 3.787 ( -0.892 -0.000 -0.455) 1.001 3.788 ( -0.181 -0.000 -0.225) 0.289 3.838 ( -0.709 -0.000 -2.004) 2.125 3.887 ( -1.044 0.000 2.504) 2.713 3.919 ( -2.726 -0.000 -1.470) 3.097 3.976 ( -6.140 0.000 3.865) 7.255 4.061 ( -1.060 0.000 0.470) 1.159 4.065 ( -1.083 0.000 0.703) 1.291 4.146 ( 5.333 -0.000 -1.094) 5.444 4.192 ( 1.815 0.000 2.392) 3.002 4.250 ( 1.320 -0.000 -1.346) 1.886 4.280 ( 3.682 0.000 2.153) 4.265 4.385 ( -0.720 -0.000 -4.023) 4.087 4.416 ( -1.559 0.000 0.495) 1.635 4.451 ( 0.712 -0.000 -3.939) 4.003 4.530 ( -0.732 -0.000 -3.681) 3.753 4.571 ( 1.026 -0.000 -0.032) 1.027 4.594 ( 3.956 0.000 5.560) 6.824 4.675 ( -0.048 0.000 1.409) 1.410 4.721 ( 1.987 0.000 4.620) 5.030 4.884 ( -3.300 -0.000 -1.166) 3.500 4.900 ( -2.197 0.000 0.896) 2.372 4.927 ( 0.632 -0.000 -3.503) 3.560 4.975 ( -2.021 0.000 -0.620) 2.114 4.978 ( -1.425 0.000 -0.212) 1.441 4.994 ( -0.184 0.000 1.306) 1.318 5.076 ( -0.380 -0.000 -3.882) 3.901 5.153 ( -5.960 0.000 3.468) 6.895 5.274 ( -1.479 0.000 2.259) 2.701 5.275 ( 2.032 0.000 2.264) 3.042 5.550 ( -1.695 -0.000 -3.736) 4.102 5.591 ( -4.141 0.000 -0.891) 4.236 5.715 ( 3.124 -0.000 -2.602) 4.066 5.819 ( -1.816 0.000 6.067) 6.333 6.002 ( 4.711 -0.000 -1.201) 4.862 6.025 ( 3.530 -0.000 0.713) 3.601 ======================= Grid point 218 (80/95) ======================= q-point: ( 0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 4.673 2.249) 5.186 1.062 ( 0.000 4.666 6.338) 7.870 1.250 ( -0.000 -3.056 -1.118) 3.254 1.586 ( -0.000 -6.543 -2.712) 7.082 1.600 ( 0.000 -0.564 2.392) 2.458 1.693 ( 0.000 -1.809 3.924) 4.321 1.848 ( 0.000 0.027 0.943) 0.944 1.875 ( -0.000 -5.904 -0.707) 5.946 1.897 ( 0.000 8.850 0.010) 8.850 1.984 ( -0.000 -1.716 -0.625) 1.826 2.018 ( 0.000 0.834 2.235) 2.386 2.247 ( -0.000 -2.209 -6.022) 6.414 2.344 ( -0.000 -16.906 0.188) 16.907 2.347 ( -0.000 -1.120 -0.087) 1.124 2.421 ( 0.000 -1.982 6.139) 6.451 2.522 ( -0.000 3.514 -2.183) 4.137 2.555 ( -0.000 -4.943 -3.974) 6.343 2.604 ( -0.000 -2.740 0.093) 2.741 2.766 ( -0.000 1.396 -1.300) 1.908 2.773 ( -0.000 5.162 -4.670) 6.961 2.881 ( 0.000 -0.376 3.180) 3.202 3.008 ( -0.000 -3.397 -2.291) 4.097 3.505 ( 0.000 7.568 1.501) 7.715 3.530 ( 0.000 6.891 1.130) 6.983 3.747 ( 0.000 1.151 0.577) 1.287 3.768 ( 0.000 1.989 0.439) 2.037 3.830 ( -0.000 -0.416 -0.077) 0.423 3.877 ( -0.000 -1.410 -0.540) 1.510 3.894 ( -0.000 -2.263 0.763) 2.388 3.898 ( 0.000 -1.019 1.584) 1.884 4.015 ( 0.000 0.996 1.313) 1.648 4.132 ( -0.000 -3.897 -0.220) 3.903 4.181 ( 0.000 1.012 0.367) 1.077 4.271 ( -0.000 -1.968 -0.791) 2.121 4.320 ( -0.000 1.199 -1.023) 1.576 4.331 ( -0.000 1.355 -1.215) 1.820 4.336 ( -0.000 0.131 -1.892) 1.897 4.394 ( 0.000 -1.570 1.580) 2.228 4.420 ( -0.000 2.111 -1.387) 2.526 4.508 ( -0.000 -0.360 -5.491) 5.502 4.562 ( 0.000 7.496 6.288) 9.784 4.632 ( 0.000 0.080 3.835) 3.836 4.665 ( 0.000 1.234 0.251) 1.259 4.796 ( 0.000 3.458 -0.126) 3.461 4.816 ( 0.000 0.432 0.858) 0.961 4.837 ( -0.000 -0.908 -0.785) 1.200 4.882 ( 0.000 2.767 -0.155) 2.772 4.964 ( 0.000 -0.998 0.603) 1.166 4.980 ( 0.000 -0.744 0.618) 0.967 5.001 ( -0.000 -2.544 0.548) 2.603 5.073 ( 0.000 -0.608 0.906) 1.091 5.097 ( -0.000 -1.730 0.572) 1.822 5.248 ( 0.000 -0.642 1.879) 1.986 5.347 ( -0.000 -2.233 -3.847) 4.449 5.436 ( 0.000 -1.774 3.710) 4.112 5.556 ( -0.000 -1.985 -6.936) 7.215 5.755 ( 0.000 0.850 5.973) 6.034 5.869 ( -0.000 -3.421 -1.559) 3.759 6.086 ( -0.000 -4.015 0.798) 4.093 6.193 ( -0.000 -4.085 0.466) 4.111 ======================= Grid point 219 (81/95) ======================= q-point: ( 0.62 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -3.919 -3.132 -2.006) 5.403 1.123 ( -7.682 -3.443 5.382) 9.992 1.360 ( -5.405 7.167 3.759) 9.731 1.520 ( -2.453 -6.513 -0.264) 6.965 1.646 ( -3.384 0.121 1.079) 3.554 1.728 ( -3.501 -3.252 4.906) 6.849 1.761 ( 8.268 6.035 0.746) 10.263 1.851 ( -0.100 -0.509 1.178) 1.287 1.917 ( 1.421 -2.701 -0.633) 3.117 1.979 ( 5.054 -7.913 2.474) 9.709 2.059 ( -3.572 3.492 -0.678) 5.042 2.174 ( -2.193 -6.225 -0.443) 6.615 2.226 ( -2.402 2.182 -5.698) 6.557 2.325 ( -2.295 -4.351 -4.255) 6.504 2.434 ( 0.529 -2.002 3.590) 4.145 2.503 ( -0.891 -1.245 -2.993) 3.362 2.573 ( -3.029 1.098 -2.500) 4.078 2.614 ( -3.066 -0.082 2.429) 3.913 2.762 ( 2.078 1.942 -1.968) 3.459 2.787 ( 1.403 1.747 -2.125) 3.088 2.890 ( 0.515 1.351 1.246) 1.909 2.954 ( 0.417 -3.286 -1.811) 3.775 3.579 ( 0.665 4.747 1.828) 5.130 3.590 ( 0.883 3.687 1.629) 4.126 3.768 ( -0.594 0.751 -0.166) 0.972 3.783 ( -0.053 0.520 -0.312) 0.609 3.830 ( 0.392 0.179 -0.049) 0.433 3.885 ( -0.876 -0.230 1.608) 1.845 3.892 ( -2.178 -0.656 0.552) 2.340 3.912 ( -2.862 -0.691 2.372) 3.780 4.040 ( -0.454 1.303 1.643) 2.146 4.090 ( 0.045 -3.332 0.915) 3.456 4.192 ( 0.835 1.368 -0.112) 1.606 4.230 ( 2.063 -1.823 -0.188) 2.759 4.271 ( 2.921 -0.211 -2.896) 4.119 4.328 ( 0.970 1.741 -1.772) 2.667 4.363 ( -0.026 0.442 0.308) 0.539 4.377 ( -0.767 -0.345 -1.277) 1.530 4.447 ( -0.769 0.188 -0.747) 1.089 4.483 ( -0.726 0.387 -4.141) 4.222 4.597 ( 2.783 0.011 0.188) 2.789 4.651 ( 1.586 3.724 6.108) 7.327 4.699 ( 1.824 2.666 2.240) 3.931 4.790 ( 2.505 -0.889 3.564) 4.446 4.826 ( -2.164 -0.103 -1.770) 2.797 4.866 ( -2.247 0.503 0.787) 2.434 4.909 ( 0.418 2.583 -1.302) 2.923 4.954 ( -0.906 -0.635 -0.476) 1.204 4.973 ( 0.196 -0.974 0.427) 1.081 4.993 ( 0.196 0.320 0.086) 0.385 5.079 ( -0.368 -1.397 0.624) 1.573 5.109 ( -3.014 -1.243 2.061) 3.857 5.259 ( -0.574 0.530 2.023) 2.168 5.310 ( -0.964 -2.863 -0.063) 3.022 5.464 ( -1.996 2.332 -0.262) 3.081 5.532 ( -3.785 -2.390 -5.492) 7.085 5.773 ( 2.808 -0.427 1.810) 3.368 5.835 ( -1.002 -1.571 3.513) 3.977 6.051 ( 1.748 -0.791 -0.270) 1.938 6.112 ( 3.576 -4.470 -0.338) 5.734 ======================= Grid point 220 (82/95) ======================= q-point: (-0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -7.510 -0.000 -2.457) 7.902 1.246 ( -4.706 0.000 7.080) 8.502 1.491 ( 1.756 0.000 2.526) 3.076 1.519 ( -3.932 0.000 -0.589) 3.976 1.644 ( -0.048 -0.000 -3.277) 3.278 1.744 ( 0.225 0.000 0.563) 0.607 1.779 ( -1.282 0.000 2.857) 3.132 1.819 ( 4.713 0.000 2.891) 5.529 1.912 ( -0.791 0.000 0.052) 0.792 1.915 ( -6.312 0.000 6.340) 8.946 2.084 ( -0.413 0.000 0.067) 0.418 2.165 ( 1.954 -0.000 -4.893) 5.269 2.302 ( -4.018 -0.000 -6.559) 7.692 2.306 ( -5.851 -0.000 -2.935) 6.546 2.444 ( -2.409 0.000 2.238) 3.288 2.509 ( -2.372 -0.000 -2.016) 3.113 2.614 ( -2.681 -0.000 -2.111) 3.412 2.679 ( -0.813 0.000 4.270) 4.347 2.724 ( 0.985 -0.000 -4.121) 4.237 2.752 ( 3.013 -0.000 0.510) 3.056 2.901 ( 1.365 0.000 0.816) 1.590 2.922 ( -1.006 -0.000 -0.948) 1.383 3.595 ( 2.268 0.000 1.746) 2.862 3.604 ( 1.105 0.000 2.193) 2.455 3.779 ( -1.174 -0.000 -1.045) 1.572 3.785 ( 0.314 -0.000 -0.338) 0.461 3.821 ( 0.018 -0.000 -1.214) 1.214 3.911 ( -1.309 0.000 -0.114) 1.314 3.912 ( -1.402 0.000 2.112) 2.535 4.023 ( -7.319 0.000 5.090) 8.915 4.068 ( -0.454 0.000 0.817) 0.935 4.072 ( 0.337 0.000 0.463) 0.573 4.141 ( 4.408 -0.000 -0.037) 4.408 4.209 ( -0.075 0.000 0.893) 0.896 4.235 ( 0.500 -0.000 -1.624) 1.700 4.308 ( 3.242 0.000 2.793) 4.279 4.328 ( 0.481 -0.000 -5.813) 5.833 4.419 ( -1.831 0.000 0.042) 1.832 4.434 ( 0.337 -0.000 -0.156) 0.371 4.477 ( 0.248 -0.000 -5.775) 5.780 4.570 ( 0.438 -0.000 -0.163) 0.467 4.643 ( 4.319 0.000 3.708) 5.692 4.708 ( -0.743 0.000 4.302) 4.366 4.774 ( 2.588 0.000 5.443) 6.027 4.861 ( -3.294 -0.000 -3.082) 4.512 4.904 ( 1.015 -0.000 -0.921) 1.371 4.910 ( -2.099 0.000 0.899) 2.283 4.962 ( -1.795 -0.000 -1.913) 2.623 4.969 ( 0.012 -0.000 -1.802) 1.802 4.998 ( -0.946 0.000 -0.019) 0.946 5.045 ( 2.056 -0.000 -1.942) 2.829 5.195 ( -6.118 0.000 4.456) 7.569 5.300 ( 1.893 0.000 2.149) 2.864 5.303 ( -3.009 0.000 3.029) 4.270 5.508 ( -2.011 -0.000 -4.184) 4.642 5.565 ( -5.479 -0.000 -3.530) 6.518 5.704 ( 5.717 -0.000 0.062) 5.718 5.882 ( -2.034 0.000 5.888) 6.229 5.990 ( 4.981 -0.000 -1.048) 5.090 6.028 ( 2.504 -0.000 -0.339) 2.527 ======================= Grid point 227 (83/95) ======================= q-point: ( 0.62 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 2.702 3.891) 4.737 1.128 ( 0.000 -5.207 3.762) 6.424 1.253 ( -0.000 6.010 3.477) 6.943 1.550 ( 0.000 -4.366 -4.220) 6.072 1.636 ( 0.000 -0.182 4.191) 4.195 1.731 ( 0.000 3.600 2.678) 4.487 1.862 ( -0.000 -5.706 -0.577) 5.735 1.881 ( 0.000 -3.830 4.561) 5.956 1.893 ( -0.000 6.597 -1.034) 6.678 1.983 ( -0.000 0.578 0.877) 1.050 2.047 ( -0.000 -0.548 3.191) 3.237 2.186 ( -0.000 -3.676 -5.532) 6.642 2.345 ( -0.000 -18.685 0.005) 18.685 2.346 ( 0.000 -4.843 -0.203) 4.847 2.445 ( 0.000 0.645 -3.627) 3.684 2.484 ( 0.000 0.155 -9.019) 9.020 2.526 ( -0.000 2.479 4.701) 5.315 2.613 ( 0.000 -4.354 1.195) 4.515 2.737 ( 0.000 5.671 -2.099) 6.047 2.749 ( 0.000 2.018 -1.730) 2.658 2.905 ( 0.000 -1.244 1.442) 1.904 2.978 ( 0.000 -2.610 -3.125) 4.072 3.524 ( -0.000 7.379 1.941) 7.630 3.544 ( 0.000 6.798 1.286) 6.918 3.755 ( 0.000 1.036 0.779) 1.296 3.773 ( -0.000 1.232 0.247) 1.257 3.833 ( 0.000 0.733 0.835) 1.111 3.872 ( 0.000 -1.307 -0.447) 1.381 3.903 ( 0.000 -2.049 1.024) 2.291 3.916 ( -0.000 -0.410 1.649) 1.699 4.033 ( 0.000 1.076 2.090) 2.351 4.123 ( 0.000 -1.383 -1.339) 1.925 4.192 ( -0.000 -1.241 1.745) 2.142 4.258 ( -0.000 -1.759 -1.641) 2.406 4.283 ( -0.000 1.863 -4.397) 4.775 4.314 ( -0.000 -0.413 -2.363) 2.399 4.334 ( 0.000 -0.149 0.818) 0.831 4.402 ( 0.000 -1.736 -0.589) 1.833 4.423 ( 0.000 1.764 1.473) 2.298 4.460 ( 0.000 0.261 -2.821) 2.833 4.631 ( 0.000 8.161 6.395) 10.369 4.663 ( -0.000 -0.632 1.959) 2.058 4.669 ( 0.000 -0.013 0.787) 0.787 4.793 ( 0.000 5.821 -0.449) 5.838 4.823 ( -0.000 0.655 0.230) 0.694 4.828 ( 0.000 -1.146 -0.799) 1.397 4.888 ( 0.000 1.615 1.453) 2.172 4.972 ( 0.000 -3.802 0.393) 3.822 4.985 ( 0.000 0.657 0.534) 0.846 5.007 ( 0.000 -2.287 0.498) 2.340 5.086 ( 0.000 -0.523 1.542) 1.628 5.104 ( 0.000 -1.265 0.761) 1.477 5.274 ( -0.000 -0.112 2.788) 2.790 5.311 ( -0.000 -0.928 -2.733) 2.886 5.466 ( 0.000 -2.985 1.911) 3.545 5.487 ( 0.000 -1.809 -5.682) 5.963 5.810 ( 0.000 1.105 4.016) 4.166 5.850 ( 0.000 -1.840 -1.620) 2.452 6.101 ( 0.000 -5.293 2.092) 5.691 6.196 ( 0.000 -5.035 -0.141) 5.037 ======================= Grid point 228 (84/95) ======================= q-point: ( 0.75 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -2.589 -4.606 -1.571) 5.513 1.176 ( -11.072 -4.623 4.347) 12.762 1.405 ( -3.888 6.524 4.517) 8.836 1.512 ( -2.099 -2.957 -1.253) 3.837 1.664 ( 1.175 0.153 2.066) 2.382 1.754 ( 5.048 -0.111 0.653) 5.091 1.786 ( 1.076 4.277 3.357) 5.542 1.886 ( -1.632 -2.191 4.189) 5.001 1.905 ( -0.881 -1.892 -0.393) 2.124 2.007 ( 4.164 -3.821 2.761) 6.289 2.064 ( -2.332 0.328 1.778) 2.951 2.160 ( 2.085 -3.274 -2.969) 4.887 2.167 ( -6.840 -3.215 -4.404) 8.747 2.276 ( -1.743 -7.605 -5.003) 9.269 2.447 ( -2.161 1.056 -3.057) 3.890 2.468 ( -1.454 -0.889 -1.968) 2.604 2.539 ( -0.022 0.768 -1.620) 1.793 2.659 ( -3.998 0.614 4.602) 6.128 2.739 ( 2.536 1.635 -1.966) 3.601 2.772 ( 0.878 2.184 -1.151) 2.620 2.898 ( 0.188 0.118 0.373) 0.434 2.935 ( 0.161 -2.213 -1.781) 2.845 3.598 ( 0.556 4.765 1.707) 5.092 3.607 ( 0.702 3.859 1.356) 4.150 3.763 ( -0.003 0.098 -0.626) 0.634 3.782 ( -0.093 0.671 0.132) 0.690 3.830 ( 1.078 -0.103 -0.025) 1.083 3.898 ( -2.640 -0.700 0.572) 2.791 3.902 ( -0.336 0.146 1.737) 1.775 3.942 ( -3.469 0.709 3.092) 4.701 4.059 ( -0.307 0.945 1.922) 2.164 4.097 ( 0.020 -2.329 0.230) 2.341 4.193 ( 0.849 0.551 0.319) 1.061 4.226 ( 1.196 -1.774 -0.565) 2.213 4.238 ( 2.240 -0.165 -3.236) 3.939 4.302 ( 1.016 2.262 -2.130) 3.269 4.353 ( -0.732 -1.030 -3.582) 3.799 4.369 ( -0.720 -0.338 0.542) 0.962 4.447 ( -0.415 -0.267 0.436) 0.659 4.454 ( 0.478 0.574 -1.194) 1.409 4.597 ( 3.306 -0.522 -0.033) 3.347 4.713 ( 0.224 2.019 5.282) 5.659 4.722 ( 2.861 4.067 2.253) 5.459 4.804 ( -0.955 -0.120 -1.851) 2.086 4.830 ( 0.597 0.147 3.444) 3.498 4.873 ( -2.098 1.397 0.618) 2.595 4.900 ( 0.864 2.078 -0.328) 2.274 4.946 ( -0.628 -1.568 -1.264) 2.109 4.977 ( 0.292 -0.544 0.402) 0.737 4.987 ( 1.056 -0.237 -0.954) 1.443 5.085 ( 0.696 -1.765 0.575) 1.983 5.136 ( -4.380 -0.726 2.767) 5.232 5.281 ( -0.568 0.376 1.872) 1.992 5.314 ( -1.497 -0.690 1.167) 2.020 5.450 ( -1.120 0.022 -2.682) 2.906 5.481 ( -3.961 -1.727 -3.511) 5.567 5.785 ( 4.230 0.205 0.832) 4.316 5.877 ( -2.657 -0.195 3.867) 4.695 6.051 ( 2.162 -2.136 0.375) 3.062 6.103 ( 3.322 -4.976 -1.338) 6.130 ======================= Grid point 229 (85/95) ======================= q-point: (-0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -8.317 0.000 -1.396) 8.433 1.318 ( -5.427 0.000 6.218) 8.253 1.498 ( -2.424 -0.000 -2.980) 3.841 1.523 ( 3.938 0.000 3.443) 5.230 1.607 ( -1.089 -0.000 -3.616) 3.777 1.741 ( -3.155 0.000 -0.631) 3.218 1.820 ( -0.033 0.000 4.713) 4.713 1.870 ( 8.426 0.000 6.409) 10.587 1.902 ( -0.381 -0.000 -2.072) 2.107 1.975 ( -2.574 0.000 2.973) 3.932 2.101 ( -1.411 0.000 3.187) 3.485 2.102 ( 0.741 -0.000 -4.808) 4.865 2.225 ( -2.434 -0.000 -7.706) 8.081 2.283 ( -11.106 0.000 -2.350) 11.352 2.467 ( 0.899 0.000 2.009) 2.201 2.489 ( -3.823 -0.000 -1.382) 4.065 2.594 ( -6.441 0.000 -1.484) 6.610 2.683 ( 3.526 -0.000 -3.178) 4.747 2.718 ( 1.553 0.000 2.720) 3.133 2.757 ( 0.559 0.000 0.422) 0.701 2.910 ( 0.736 0.000 0.749) 1.051 2.911 ( -1.337 -0.000 -0.890) 1.606 3.611 ( 2.453 0.000 1.090) 2.684 3.624 ( 0.915 0.000 1.500) 1.758 3.767 ( -1.271 -0.000 -1.028) 1.634 3.782 ( 0.681 -0.000 -0.240) 0.722 3.813 ( 0.675 -0.000 -0.457) 0.815 3.914 ( -0.319 0.000 0.516) 0.606 3.929 ( -1.850 0.000 1.138) 2.172 4.075 ( 1.708 -0.000 0.187) 1.718 4.075 ( -0.379 0.000 0.896) 0.973 4.080 ( -8.232 0.000 4.994) 9.628 4.142 ( 3.007 -0.000 0.096) 3.008 4.214 ( -0.553 0.000 0.282) 0.621 4.218 ( -0.302 -0.000 -1.531) 1.561 4.278 ( 1.475 -0.000 -3.227) 3.548 4.321 ( 1.037 -0.000 -1.133) 1.536 4.417 ( -2.428 0.000 -0.499) 2.479 4.428 ( 2.457 -0.000 -2.522) 3.521 4.436 ( 0.269 0.000 0.441) 0.517 4.568 ( 0.188 -0.000 -0.102) 0.214 4.675 ( 4.799 0.000 2.487) 5.405 4.752 ( -0.943 0.000 3.706) 3.824 4.828 ( -2.125 -0.000 -2.794) 3.510 4.832 ( 2.510 0.000 5.526) 6.069 4.899 ( 0.758 -0.000 -0.408) 0.861 4.917 ( -1.591 0.000 0.405) 1.642 4.939 ( 1.109 -0.000 -3.661) 3.826 4.941 ( -1.441 -0.000 -1.707) 2.234 4.999 ( -1.527 0.000 0.189) 1.539 5.034 ( 3.014 -0.000 -0.432) 3.044 5.240 ( -6.144 0.000 3.725) 7.185 5.317 ( 1.870 0.000 1.104) 2.172 5.333 ( -3.766 0.000 2.385) 4.458 5.466 ( -2.439 -0.000 -3.377) 4.166 5.529 ( -5.472 -0.000 -2.949) 6.216 5.708 ( 6.605 -0.000 0.443) 6.620 5.940 ( -1.372 0.000 5.074) 5.256 5.981 ( 5.063 -0.000 -0.657) 5.105 6.016 ( 1.193 -0.000 -1.939) 2.277 ======================= Grid point 230 (86/95) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -8.620 -0.000 -0.000) 8.620 1.358 ( -6.898 -0.000 -0.000) 6.898 1.475 ( -0.459 -0.000 -0.000) 0.459 1.552 ( 8.866 0.000 0.000) 8.866 1.577 ( -5.326 -0.000 -0.000) 5.326 1.737 ( -3.806 -0.000 -0.000) 3.806 1.866 ( -0.955 -0.000 -0.000) 0.955 1.872 ( 0.860 0.000 0.000) 0.860 1.932 ( 11.559 0.000 0.000) 11.559 1.956 ( 1.126 0.000 0.000) 1.126 2.088 ( -4.046 -0.000 -0.000) 4.046 2.149 ( -0.792 -0.000 -0.000) 0.792 2.152 ( -2.839 -0.000 -0.000) 2.839 2.265 ( -13.270 -0.000 -0.000) 13.270 2.479 ( 1.920 0.000 0.000) 1.920 2.482 ( -4.322 -0.000 -0.000) 4.322 2.586 ( -8.680 -0.000 -0.000) 8.680 2.665 ( 5.306 0.000 0.000) 5.306 2.732 ( 3.789 0.000 0.000) 3.789 2.759 ( -1.712 -0.000 -0.000) 1.712 2.906 ( -1.470 -0.000 -0.000) 1.470 2.914 ( 0.421 0.000 0.000) 0.421 3.617 ( 2.513 0.000 0.000) 2.513 3.633 ( 0.837 0.000 0.000) 0.837 3.761 ( -1.226 -0.000 -0.000) 1.226 3.781 ( 0.813 0.000 0.000) 0.813 3.811 ( 0.867 0.000 0.000) 0.867 3.917 ( 0.091 0.000 0.000) 0.091 3.935 ( -2.036 -0.000 -0.000) 2.036 4.076 ( 2.191 0.000 0.000) 2.191 4.079 ( 0.193 0.000 0.000) 0.193 4.114 ( -9.801 -0.000 -0.000) 9.801 4.142 ( 2.315 0.000 0.000) 2.315 4.208 ( -0.579 -0.000 -0.000) 0.579 4.216 ( -1.178 -0.000 -0.000) 1.178 4.262 ( 1.934 0.000 0.000) 1.934 4.303 ( 1.357 0.000 0.000) 1.357 4.415 ( -2.349 -0.000 -0.000) 2.349 4.419 ( 3.000 0.000 0.000) 3.000 4.439 ( 0.248 0.000 0.000) 0.248 4.568 ( 0.122 0.000 0.000) 0.122 4.690 ( 4.960 0.000 0.000) 4.960 4.776 ( -1.016 -0.000 -0.000) 1.016 4.809 ( -1.672 -0.000 -0.000) 1.672 4.880 ( 0.152 0.000 0.000) 0.152 4.896 ( 0.961 0.000 0.000) 0.961 4.898 ( 5.275 0.000 0.000) 5.275 4.922 ( -2.986 -0.000 -0.000) 2.986 4.932 ( -1.547 -0.000 -0.000) 1.547 5.000 ( -1.582 -0.000 -0.000) 1.582 5.032 ( 3.306 0.000 0.000) 3.306 5.262 ( -6.430 -0.000 -0.000) 6.430 5.323 ( 2.192 0.000 0.000) 2.192 5.346 ( -3.972 -0.000 -0.000) 3.972 5.446 ( -2.663 -0.000 -0.000) 2.663 5.512 ( -5.428 -0.000 -0.000) 5.428 5.711 ( 6.882 0.000 0.000) 6.882 5.978 ( 5.061 0.000 0.000) 5.061 5.986 ( 4.443 0.000 0.000) 4.443 5.987 ( -4.826 -0.000 -0.000) 4.826 ======================= Grid point 236 (87/95) ======================= q-point: ( 0.75 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 -0.310 4.757) 4.767 1.122 ( 0.000 -7.529 -3.441) 8.278 1.330 ( -0.000 7.484 9.289) 11.929 1.496 ( 0.000 -0.913 -6.011) 6.080 1.684 ( 0.000 1.523 4.653) 4.896 1.743 ( 0.000 7.233 -0.269) 7.238 1.853 ( 0.000 -6.506 -0.449) 6.522 1.876 ( 0.000 2.053 -2.023) 2.882 1.951 ( -0.000 -4.922 7.633) 9.082 2.005 ( 0.000 2.704 2.973) 4.019 2.078 ( 0.000 -1.485 2.313) 2.749 2.130 ( 0.000 -5.339 -5.020) 7.328 2.342 ( 0.000 -7.282 -0.709) 7.317 2.344 ( 0.000 -16.011 -0.255) 16.013 2.387 ( -0.000 0.181 -5.778) 5.780 2.390 ( 0.000 0.299 -7.317) 7.323 2.581 ( 0.000 1.670 4.784) 5.067 2.623 ( 0.000 -2.221 0.494) 2.275 2.724 ( 0.000 5.034 -0.549) 5.063 2.733 ( 0.000 2.784 -1.331) 3.085 2.915 ( 0.000 -1.760 0.783) 1.927 2.947 ( 0.000 -2.092 -2.573) 3.316 3.543 ( 0.000 7.188 1.469) 7.337 3.554 ( 0.000 6.819 0.525) 6.839 3.763 ( 0.000 0.811 0.701) 1.072 3.773 ( 0.000 0.624 -0.206) 0.657 3.846 ( 0.000 1.149 1.413) 1.822 3.867 ( 0.000 -0.773 -0.575) 0.963 3.915 ( -0.000 -1.190 1.183) 1.678 3.928 ( -0.000 0.228 0.559) 0.604 4.057 ( 0.000 1.037 2.400) 2.615 4.106 ( 0.000 0.073 -1.981) 1.982 4.213 ( 0.000 -2.456 1.843) 3.071 4.239 ( 0.000 -1.433 -1.790) 2.293 4.247 ( 0.000 1.418 -1.806) 2.296 4.285 ( 0.000 -0.820 -3.114) 3.220 4.344 ( 0.000 -0.996 1.154) 1.524 4.381 ( 0.000 -1.589 -2.479) 2.945 4.440 ( 0.000 1.048 1.484) 1.817 4.451 ( 0.000 0.198 0.162) 0.256 4.669 ( -0.000 4.082 0.879) 4.175 4.675 ( -0.000 -0.028 0.383) 0.384 4.703 ( 0.000 3.313 5.315) 6.263 4.781 ( 0.000 5.635 -1.981) 5.973 4.822 ( -0.000 1.493 -0.067) 1.495 4.823 ( -0.000 0.350 -0.096) 0.363 4.911 ( 0.000 -0.506 2.693) 2.740 4.964 ( 0.000 -2.930 -1.734) 3.405 4.996 ( 0.000 -1.018 1.201) 1.574 5.010 ( -0.000 -2.012 -0.002) 2.012 5.103 ( -0.000 -0.446 1.391) 1.461 5.111 ( -0.000 -0.828 0.473) 0.953 5.292 ( -0.000 0.405 -0.865) 0.955 5.296 ( 0.000 1.295 0.861) 1.555 5.448 ( 0.000 -3.325 -1.307) 3.572 5.473 ( 0.000 -3.959 -0.753) 4.030 5.836 ( -0.000 1.708 1.163) 2.067 5.839 ( 0.000 0.052 -0.419) 0.422 6.129 ( -0.000 -6.475 3.205) 7.225 6.187 ( -0.000 -6.040 -1.603) 6.249 ======================= Grid point 237 (88/95) ======================= q-point: ( 0.88 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -1.912 -5.398 -0.612) 5.760 1.208 ( -13.989 -5.310 1.618) 15.050 1.447 ( -1.461 3.608 3.114) 4.985 1.494 ( -2.379 1.635 -1.916) 3.465 1.682 ( 6.326 0.330 0.988) 6.411 1.758 ( 3.016 -0.726 0.200) 3.109 1.823 ( 0.991 3.896 3.889) 5.593 1.866 ( 0.132 2.103 -3.887) 4.422 1.961 ( -2.261 -4.089 5.117) 6.930 2.037 ( 1.303 0.056 2.677) 2.978 2.074 ( -5.093 0.532 -1.421) 5.315 2.134 ( 3.322 -8.065 -2.145) 8.982 2.137 ( -3.860 -4.184 0.752) 5.742 2.222 ( 0.039 -9.136 -4.715) 10.281 2.418 ( -4.022 0.757 -1.430) 4.335 2.438 ( -6.073 1.259 -2.559) 6.709 2.544 ( 3.888 0.462 1.009) 4.044 2.697 ( -4.362 0.948 2.201) 4.977 2.725 ( 2.819 1.233 -0.711) 3.158 2.761 ( 0.826 2.141 -0.797) 2.430 2.900 ( 0.074 -0.900 0.034) 0.904 2.921 ( -0.224 -1.062 -0.760) 1.325 3.611 ( 0.483 4.785 0.730) 4.864 3.617 ( 0.587 4.029 0.437) 4.095 3.758 ( 0.407 -0.142 -0.306) 0.529 3.784 ( -0.112 0.470 0.099) 0.493 3.829 ( 1.358 -0.142 -0.038) 1.366 3.903 ( -2.913 -0.825 0.226) 3.036 3.918 ( 0.377 0.298 0.958) 1.071 3.968 ( -4.181 2.297 1.479) 4.994 4.078 ( -0.136 0.197 1.639) 1.656 4.094 ( -0.213 -0.909 -0.853) 1.265 4.197 ( 1.972 -0.155 0.221) 1.991 4.211 ( 0.712 -0.450 -1.470) 1.694 4.221 ( 0.715 -1.772 -0.255) 1.928 4.290 ( -0.310 1.537 -0.293) 1.595 4.315 ( 1.397 -0.834 -2.653) 3.112 4.372 ( -1.596 -0.452 0.117) 1.663 4.450 ( 1.129 0.619 0.081) 1.290 4.453 ( -0.246 -0.943 0.268) 1.011 4.597 ( 3.519 -0.694 -0.024) 3.587 4.738 ( 0.144 2.953 0.974) 3.113 4.760 ( 1.889 2.433 3.201) 4.442 4.785 ( 0.261 0.622 -1.818) 1.939 4.859 ( -1.537 -0.076 1.843) 2.401 4.876 ( -0.273 5.298 -0.182) 5.308 4.905 ( 0.369 -0.315 1.257) 1.347 4.928 ( -0.256 -2.267 -2.026) 3.051 4.978 ( 1.943 -1.355 -0.542) 2.430 4.981 ( 0.206 -0.186 0.215) 0.351 5.090 ( 1.261 -1.710 0.273) 2.142 5.159 ( -5.406 -0.590 1.209) 5.571 5.295 ( -0.797 1.326 0.780) 1.733 5.331 ( -1.005 0.386 1.242) 1.643 5.420 ( -1.353 -0.928 -2.039) 2.617 5.458 ( -3.539 -2.751 -1.263) 4.657 5.792 ( 4.783 1.286 0.412) 4.970 5.907 ( -3.448 1.204 1.460) 3.933 6.062 ( 2.690 -4.099 1.768) 5.211 6.084 ( 3.053 -5.100 -2.204) 6.339 ======================= Grid point 245 (89/95) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.000 -3.920 -4.196) 5.742 1.077 ( 0.000 -3.920 4.196) 5.742 1.423 ( -0.000 3.200 -8.060) 8.672 1.423 ( 0.000 3.200 8.060) 8.672 1.726 ( -0.000 5.076 -2.948) 5.870 1.726 ( 0.000 5.076 2.948) 5.870 1.857 ( -0.000 -3.009 -1.220) 3.247 1.857 ( -0.000 -3.009 1.220) 3.247 2.016 ( -0.000 -1.453 -3.010) 3.343 2.016 ( 0.000 -1.453 3.010) 3.343 2.092 ( -0.000 -3.360 -0.874) 3.472 2.092 ( 0.000 -3.360 0.874) 3.472 2.334 ( -0.000 -2.469 -0.216) 2.478 2.334 ( 0.000 -2.469 0.216) 2.478 2.356 ( -0.000 -8.963 -0.021) 8.963 2.356 ( 0.000 -8.963 0.021) 8.963 2.617 ( -0.000 0.154 -1.449) 1.457 2.617 ( 0.000 0.154 1.449) 1.457 2.723 ( 0.000 3.854 -0.371) 3.871 2.723 ( 0.000 3.854 0.371) 3.871 2.926 ( -0.000 -1.935 -1.410) 2.394 2.926 ( 0.000 -1.935 1.410) 2.394 3.553 ( 0.000 6.978 -0.513) 6.997 3.553 ( 0.000 6.978 0.513) 6.997 3.769 ( -0.000 0.583 -0.434) 0.727 3.769 ( 0.000 0.583 0.434) 0.727 3.859 ( -0.000 0.255 -0.760) 0.801 3.859 ( 0.000 0.255 0.760) 0.801 3.926 ( -0.000 0.007 -0.789) 0.789 3.926 ( 0.000 0.007 0.789) 0.789 4.083 ( -0.000 0.743 -2.388) 2.500 4.083 ( 0.000 0.743 2.388) 2.500 4.224 ( -0.000 -1.447 -0.898) 1.703 4.224 ( 0.000 -1.447 0.898) 1.703 4.254 ( -0.000 -0.562 -2.532) 2.594 4.254 ( 0.000 -0.562 2.532) 2.594 4.359 ( -0.000 -1.383 -1.609) 2.121 4.359 ( 0.000 -1.383 1.609) 2.121 4.450 ( -0.000 0.402 -0.398) 0.566 4.450 ( 0.000 0.402 0.398) 0.566 4.674 ( -0.000 1.442 -0.079) 1.444 4.674 ( 0.000 1.442 0.079) 1.444 4.751 ( -0.000 4.784 -3.760) 6.084 4.751 ( 0.000 4.784 3.760) 6.084 4.823 ( 0.000 1.610 -0.008) 1.610 4.823 ( 0.000 1.610 0.008) 1.610 4.940 ( -0.000 -2.011 -2.639) 3.318 4.940 ( 0.000 -2.011 2.639) 3.318 5.006 ( -0.000 -1.747 -0.666) 1.870 5.006 ( -0.000 -1.747 0.666) 1.870 5.112 ( -0.000 -0.563 -0.211) 0.601 5.112 ( 0.000 -0.563 0.211) 0.601 5.293 ( -0.000 1.620 -0.557) 1.714 5.293 ( 0.000 1.621 0.557) 1.714 5.456 ( -0.000 -4.362 -1.803) 4.720 5.456 ( 0.000 -4.362 1.803) 4.720 5.840 ( -0.000 1.408 -0.031) 1.408 5.840 ( 0.000 1.408 0.031) 1.408 6.163 ( -0.000 -6.675 -2.966) 7.304 6.163 ( -0.000 -6.675 2.966) 7.304 ======================= Grid point 270 (90/95) ======================= q-point: (-0.50 -0.12 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -5.571 -0.000 -4.516) 7.171 1.120 ( -5.571 0.000 4.516) 7.171 1.486 ( -2.451 -0.000 -1.172) 2.717 1.486 ( -2.451 0.000 1.172) 2.717 1.702 ( 5.972 0.000 -1.159) 6.083 1.702 ( 5.972 0.000 1.159) 6.083 1.774 ( -8.579 0.000 -1.877) 8.782 1.774 ( -8.579 0.000 1.877) 8.782 1.881 ( -0.957 -0.000 -1.657) 1.914 1.881 ( -0.957 0.000 1.657) 1.914 2.136 ( 0.942 -0.000 -3.945) 4.056 2.136 ( 0.942 0.000 3.945) 4.056 2.394 ( -5.741 0.000 -1.421) 5.914 2.394 ( -5.741 0.000 1.421) 5.914 2.454 ( -1.244 -0.000 -7.593) 7.694 2.454 ( -1.244 0.000 7.593) 7.694 2.642 ( -1.320 0.000 -0.000) 1.320 2.642 ( -1.320 0.000 0.000) 1.320 2.754 ( 3.378 -0.000 -0.410) 3.403 2.754 ( 3.378 -0.000 0.410) 3.403 2.916 ( 0.077 0.000 -0.850) 0.854 2.916 ( 0.077 0.000 0.850) 0.854 3.572 ( 1.649 -0.000 -0.166) 1.657 3.572 ( 1.649 -0.000 0.166) 1.657 3.789 ( -0.614 0.000 -0.014) 0.614 3.789 ( -0.614 0.000 0.014) 0.614 3.862 ( -0.933 -0.000 -2.243) 2.429 3.862 ( -0.933 0.000 2.243) 2.429 3.941 ( -4.510 -0.000 -2.787) 5.302 3.941 ( -4.510 0.000 2.787) 5.302 4.059 ( -1.467 0.000 -0.066) 1.468 4.059 ( -1.467 0.000 0.066) 1.468 4.165 ( 4.450 -0.000 -2.397) 5.055 4.165 ( 4.450 0.000 2.397) 5.055 4.263 ( 2.368 -0.000 -1.138) 2.627 4.263 ( 2.368 0.000 1.138) 2.627 4.408 ( -1.313 0.000 -0.761) 1.517 4.408 ( -1.313 0.000 0.761) 1.517 4.513 ( -0.029 -0.000 -6.591) 6.591 4.513 ( -0.029 0.000 6.591) 6.591 4.568 ( 2.575 -0.000 -0.423) 2.610 4.568 ( 2.575 -0.000 0.423) 2.610 4.682 ( 0.921 -0.000 -2.399) 2.569 4.682 ( 0.921 0.000 2.399) 2.569 4.892 ( -2.444 0.000 -0.515) 2.498 4.892 ( -2.444 0.000 0.515) 2.498 4.967 ( -0.019 -0.000 -3.547) 3.547 4.967 ( -0.019 0.000 3.547) 3.547 4.978 ( -2.008 0.000 -0.099) 2.011 4.978 ( -2.008 0.000 0.099) 2.011 5.117 ( -3.824 -0.000 -3.107) 4.927 5.117 ( -3.824 0.000 3.107) 4.927 5.261 ( 0.766 0.000 -0.005) 0.766 5.261 ( 0.766 0.000 0.005) 0.766 5.582 ( -2.124 0.000 -1.199) 2.439 5.582 ( -2.124 0.000 1.199) 2.439 5.759 ( -0.257 -0.000 -5.098) 5.105 5.759 ( -0.257 0.000 5.098) 5.105 6.015 ( 4.241 -0.000 -1.079) 4.376 6.015 ( 4.241 -0.000 1.079) 4.376 ======================= Grid point 280 (91/95) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 -2.518 0.000) 2.518 0.981 ( 0.000 2.518 -0.000) 2.518 1.389 ( -0.000 -10.295 0.000) 10.295 1.389 ( 0.000 10.295 -0.000) 10.295 1.600 ( -0.000 -1.951 0.000) 1.951 1.600 ( 0.000 1.951 -0.000) 1.951 1.868 ( -0.000 -5.274 0.000) 5.274 1.868 ( 0.000 5.274 -0.000) 5.274 2.004 ( -0.000 -11.404 0.000) 11.404 2.004 ( 0.000 11.404 -0.000) 11.404 2.011 ( -0.000 -1.695 0.000) 1.695 2.011 ( 0.000 1.695 -0.000) 1.695 2.349 ( -0.000 -0.208 0.000) 0.208 2.349 ( 0.000 0.208 -0.000) 0.208 2.384 ( -0.000 -6.365 0.000) 6.365 2.384 ( 0.000 6.365 -0.000) 6.365 2.596 ( -0.000 -1.961 0.000) 1.961 2.596 ( 0.000 1.961 -0.000) 1.961 2.818 ( -0.000 -2.089 0.000) 2.089 2.818 ( 0.000 2.089 -0.000) 2.089 2.925 ( -0.000 -4.679 0.000) 4.679 2.925 ( 0.000 4.679 -0.000) 4.679 3.599 ( -0.000 -0.738 0.000) 0.738 3.599 ( 0.000 0.738 -0.000) 0.738 3.779 ( -0.000 -1.483 0.000) 1.483 3.779 ( 0.000 1.483 -0.000) 1.483 3.843 ( -0.000 -2.330 0.000) 2.330 3.843 ( 0.000 2.330 -0.000) 2.330 3.866 ( -0.000 -0.043 0.000) 0.043 3.866 ( 0.000 0.043 -0.000) 0.043 4.045 ( -0.000 -2.616 0.000) 2.616 4.045 ( 0.000 2.616 -0.000) 2.616 4.227 ( -0.000 -2.214 0.000) 2.214 4.227 ( 0.000 2.214 -0.000) 2.214 4.350 ( -0.000 -1.082 0.000) 1.082 4.350 ( 0.000 1.082 -0.000) 1.082 4.352 ( -0.000 -0.262 0.000) 0.262 4.352 ( 0.000 0.262 -0.000) 0.262 4.497 ( -0.000 -2.959 0.000) 2.959 4.497 ( 0.000 2.959 -0.000) 2.959 4.620 ( -0.000 -0.646 0.000) 0.646 4.620 ( 0.000 0.646 -0.000) 0.646 4.749 ( -0.000 -5.054 0.000) 5.054 4.749 ( 0.000 5.054 -0.000) 5.054 4.825 ( -0.000 -0.698 0.000) 0.698 4.825 ( 0.000 0.698 -0.000) 0.698 4.955 ( -0.000 -2.421 0.000) 2.421 4.955 ( 0.000 2.421 -0.000) 2.421 4.964 ( -0.000 -0.620 0.000) 0.620 4.964 ( 0.000 0.620 -0.000) 0.620 5.072 ( -0.000 -0.570 0.000) 0.570 5.072 ( 0.000 0.570 -0.000) 0.570 5.258 ( -0.000 -3.641 0.000) 3.641 5.258 ( 0.000 3.641 -0.000) 3.641 5.491 ( -0.000 -5.675 0.000) 5.675 5.491 ( 0.000 5.675 -0.000) 5.675 5.783 ( -0.000 -4.144 0.000) 4.144 5.783 ( 0.000 4.144 -0.000) 4.144 6.093 ( -0.000 -3.831 0.000) 3.831 6.093 ( 0.000 3.831 -0.000) 3.831 ======================= Grid point 290 (92/95) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -2.135 0.499) 2.193 0.985 ( 0.000 2.135 0.499) 2.193 1.402 ( -0.000 -9.413 2.302) 9.690 1.402 ( 0.000 9.413 2.302) 9.690 1.620 ( 0.000 -2.470 3.796) 4.529 1.620 ( 0.000 2.470 3.796) 4.529 1.866 ( -0.000 -4.855 -0.325) 4.866 1.866 ( 0.000 4.855 -0.325) 4.866 1.997 ( -0.000 -8.895 -0.984) 8.949 1.997 ( 0.000 8.895 -0.984) 8.949 2.019 ( -0.000 -0.040 1.248) 1.249 2.019 ( 0.000 0.040 1.248) 1.249 2.286 ( -0.000 -3.628 -7.023) 7.905 2.286 ( -0.000 3.628 -7.023) 7.905 2.442 ( -0.000 -2.222 5.738) 6.153 2.442 ( 0.000 2.222 5.738) 6.153 2.581 ( -0.000 -1.856 -2.481) 3.099 2.581 ( -0.000 1.856 -2.481) 3.099 2.809 ( -0.000 -1.498 -1.589) 2.184 2.809 ( -0.000 1.498 -1.589) 2.184 2.923 ( -0.000 -3.867 -0.410) 3.888 2.923 ( 0.000 3.867 -0.410) 3.888 3.607 ( 0.000 -0.672 1.323) 1.484 3.607 ( 0.000 0.672 1.323) 1.484 3.779 ( -0.000 -1.195 -0.116) 1.201 3.779 ( 0.000 1.195 -0.116) 1.201 3.846 ( -0.000 -1.460 0.469) 1.533 3.846 ( 0.000 1.460 0.469) 1.533 3.873 ( 0.000 -0.533 1.412) 1.509 3.873 ( 0.000 0.533 1.412) 1.509 4.052 ( -0.000 -2.528 1.145) 2.775 4.052 ( 0.000 2.528 1.145) 2.775 4.224 ( -0.000 -2.199 -0.602) 2.280 4.224 ( 0.000 2.199 -0.602) 2.280 4.333 ( -0.000 -0.012 -1.868) 1.868 4.333 ( 0.000 0.012 -1.868) 1.868 4.361 ( -0.000 -1.435 0.178) 1.446 4.361 ( 0.000 1.435 0.178) 1.446 4.477 ( -0.000 -2.272 -2.689) 3.520 4.477 ( -0.000 2.272 -2.689) 3.520 4.636 ( 0.000 -0.097 2.258) 2.260 4.636 ( 0.000 0.097 2.258) 2.260 4.759 ( -0.000 -4.952 1.876) 5.295 4.759 ( 0.000 4.952 1.876) 5.295 4.827 ( 0.000 -0.456 0.578) 0.736 4.827 ( 0.000 0.456 0.578) 0.736 4.952 ( -0.000 -2.043 -0.293) 2.063 4.952 ( 0.000 2.043 -0.293) 2.063 4.967 ( -0.000 -0.295 0.381) 0.482 4.967 ( 0.000 0.295 0.381) 0.482 5.076 ( 0.000 -0.537 0.706) 0.887 5.076 ( 0.000 0.537 0.706) 0.887 5.262 ( -0.000 -2.914 0.739) 3.006 5.262 ( 0.000 2.914 0.739) 3.006 5.481 ( -0.000 -4.174 -1.826) 4.556 5.481 ( 0.000 4.174 -1.826) 4.556 5.794 ( 0.000 -2.791 1.974) 3.419 5.794 ( 0.000 2.791 1.974) 3.419 6.091 ( -0.000 -3.854 -0.437) 3.879 6.091 ( 0.000 3.854 -0.437) 3.879 ======================= Grid point 300 (93/95) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 -1.269 0.289) 1.302 0.989 ( 0.000 1.269 0.289) 1.302 1.433 ( -0.000 -6.904 3.300) 7.652 1.433 ( 0.000 6.904 3.300) 7.652 1.675 ( 0.000 -3.544 6.369) 7.289 1.675 ( 0.000 3.544 6.369) 7.289 1.863 ( -0.000 -3.315 -0.065) 3.316 1.863 ( 0.000 3.315 -0.065) 3.316 1.983 ( -0.000 -10.057 -1.892) 10.234 1.983 ( 0.000 10.057 -1.892) 10.234 2.036 ( -0.000 -0.031 1.957) 1.958 2.036 ( 0.000 0.031 1.957) 1.958 2.219 ( -0.000 -4.740 -5.691) 7.407 2.219 ( -0.000 4.740 -5.691) 7.407 2.465 ( -0.000 -1.153 -2.672) 2.911 2.465 ( -0.000 1.153 -2.672) 2.911 2.572 ( -0.000 -0.930 2.245) 2.430 2.572 ( 0.000 0.930 2.245) 2.430 2.790 ( -0.000 -0.615 -1.903) 1.999 2.790 ( 0.000 0.615 -1.903) 1.999 2.916 ( -0.000 -2.391 -0.848) 2.537 2.916 ( 0.000 2.391 -0.848) 2.537 3.623 ( 0.000 -0.502 1.710) 1.783 3.623 ( 0.000 0.502 1.710) 1.783 3.777 ( -0.000 -0.598 -0.237) 0.643 3.777 ( 0.000 0.598 -0.237) 0.643 3.851 ( -0.000 -0.255 0.345) 0.429 3.851 ( 0.000 0.255 0.345) 0.429 3.895 ( 0.000 -1.213 2.739) 2.996 3.895 ( 0.000 1.213 2.739) 2.996 4.066 ( 0.000 -2.176 1.514) 2.651 4.066 ( 0.000 2.176 1.514) 2.651 4.216 ( -0.000 -1.943 -0.854) 2.122 4.216 ( 0.000 1.943 -0.854) 2.122 4.309 ( -0.000 -0.003 -2.974) 2.974 4.309 ( 0.000 0.003 -2.974) 2.974 4.353 ( -0.000 -2.297 -1.331) 2.655 4.353 ( -0.000 2.297 -1.331) 2.655 4.458 ( -0.000 -0.772 -0.748) 1.075 4.458 ( 0.000 0.772 -0.748) 1.075 4.656 ( -0.000 -0.008 1.439) 1.439 4.656 ( 0.000 0.008 1.439) 1.439 4.782 ( -0.000 -3.624 2.070) 4.174 4.782 ( 0.000 3.624 2.070) 4.174 4.840 ( -0.000 -0.649 2.177) 2.272 4.840 ( 0.000 0.649 2.177) 2.272 4.949 ( -0.000 -2.910 -0.342) 2.930 4.949 ( 0.000 2.910 -0.342) 2.930 4.967 ( -0.000 -1.877 -0.452) 1.931 4.967 ( 0.000 1.877 -0.452) 1.931 5.087 ( 0.000 -0.369 1.391) 1.439 5.087 ( 0.000 0.369 1.391) 1.439 5.274 ( 0.000 -1.116 1.711) 2.043 5.274 ( 0.000 1.116 1.711) 2.043 5.455 ( -0.000 -1.275 -3.123) 3.373 5.455 ( -0.000 1.275 -3.123) 3.373 5.821 ( 0.000 -0.177 3.100) 3.105 5.821 ( 0.000 0.177 3.100) 3.105 6.084 ( -0.000 -3.666 -0.997) 3.799 6.084 ( 0.000 3.666 -0.997) 3.799 ======================= Grid point 311 (94/95) ======================= q-point: (-0.12 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.000 -0.370 -0.005) 0.370 0.990 ( 0.000 0.370 -0.005) 0.370 1.464 ( -0.000 -3.512 2.300) 4.198 1.464 ( 0.000 3.512 2.300) 4.198 1.740 ( 0.000 -3.074 5.199) 6.040 1.740 ( 0.000 3.074 5.199) 6.040 1.871 ( 0.000 -0.400 1.959) 1.999 1.871 ( 0.000 0.400 1.959) 1.999 1.955 ( -0.000 -9.933 -3.556) 10.551 1.955 ( 0.000 9.933 -3.556) 10.551 2.058 ( 0.000 -0.185 2.081) 2.089 2.058 ( 0.000 0.185 2.081) 2.089 2.171 ( -0.000 -3.597 -3.206) 4.819 2.171 ( -0.000 3.597 -3.206) 4.819 2.414 ( -0.000 -0.451 -5.183) 5.202 2.414 ( -0.000 0.451 -5.183) 5.202 2.608 ( -0.000 -0.123 3.284) 3.286 2.608 ( 0.000 0.123 3.284) 3.286 2.772 ( -0.000 -0.162 -1.360) 1.370 2.772 ( 0.000 0.162 -1.360) 1.370 2.907 ( -0.000 -1.055 -0.744) 1.291 2.907 ( 0.000 1.055 -0.744) 1.291 3.639 ( 0.000 -0.268 1.104) 1.136 3.639 ( 0.000 0.268 1.104) 1.136 3.774 ( -0.000 -0.125 -0.194) 0.231 3.774 ( 0.000 0.125 -0.194) 0.231 3.853 ( -0.000 -0.009 0.167) 0.167 3.853 ( 0.000 0.009 0.167) 0.167 3.925 ( 0.000 -0.865 2.511) 2.656 3.925 ( 0.000 0.865 2.511) 2.656 4.080 ( 0.000 -1.351 0.994) 1.677 4.080 ( 0.000 1.351 0.994) 1.677 4.208 ( -0.000 -1.181 -0.606) 1.327 4.208 ( 0.000 1.181 -0.606) 1.327 4.273 ( -0.000 -0.173 -3.211) 3.216 4.273 ( 0.000 0.173 -3.211) 3.216 4.342 ( -0.000 -1.136 -0.604) 1.287 4.342 ( 0.000 1.136 -0.604) 1.287 4.457 ( -0.000 -0.056 0.177) 0.185 4.457 ( 0.000 0.056 0.177) 0.185 4.666 ( -0.000 -0.008 0.578) 0.578 4.666 ( 0.000 0.008 0.578) 0.578 4.796 ( -0.000 -1.198 0.702) 1.389 4.796 ( 0.000 1.198 0.702) 1.389 4.873 ( 0.000 -0.685 3.616) 3.680 4.873 ( 0.000 0.685 3.616) 3.680 4.941 ( -0.000 -3.172 -1.525) 3.520 4.941 ( 0.000 3.172 -1.525) 3.520 4.961 ( -0.000 -2.867 -0.440) 2.901 4.961 ( 0.000 2.867 -0.440) 2.901 5.101 ( 0.000 -0.068 1.036) 1.039 5.101 ( 0.000 0.068 1.036) 1.039 5.297 ( 0.000 -0.197 2.444) 2.452 5.297 ( 0.000 0.197 2.444) 2.452 5.419 ( -0.000 -0.577 -3.292) 3.342 5.419 ( -0.000 0.577 -3.292) 3.342 5.853 ( 0.000 -0.327 2.573) 2.594 5.853 ( 0.000 0.327 2.573) 2.594 6.072 ( -0.000 -2.567 -1.121) 2.801 6.072 ( 0.000 2.567 -1.121) 2.801 ======================= Grid point 313 (95/95) ======================= q-point: ( 0.00 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.000 -0.000 0.000) 0.000 0.990 ( 0.000 -0.000 0.000) 0.000 1.476 ( -0.000 -0.000 0.000) 0.000 1.476 ( 0.000 -0.000 0.000) 0.000 1.769 ( -0.000 -0.000 0.000) 0.000 1.769 ( 0.000 -0.000 0.000) 0.000 1.901 ( -0.000 -0.000 0.000) 0.000 1.901 ( 0.000 -0.000 0.000) 0.000 1.917 ( -0.000 0.000 -0.000) 0.000 1.917 ( 0.000 0.000 -0.000) 0.000 2.071 ( -0.000 -0.000 0.000) 0.000 2.071 ( 0.000 -0.000 0.000) 0.000 2.154 ( -0.000 -0.000 0.000) 0.000 2.154 ( 0.000 -0.000 0.000) 0.000 2.383 ( -0.000 -0.000 0.000) 0.000 2.383 ( 0.000 -0.000 0.000) 0.000 2.627 ( -0.000 -0.000 0.000) 0.000 2.627 ( 0.000 -0.000 0.000) 0.000 2.764 ( -0.000 -0.000 0.000) 0.000 2.764 ( 0.000 -0.000 0.000) 0.000 2.903 ( -0.000 -0.000 0.000) 0.000 2.903 ( 0.000 -0.000 0.000) 0.000 3.645 ( -0.000 -0.000 0.000) 0.000 3.645 ( 0.000 -0.000 0.000) 0.000 3.773 ( -0.000 -0.000 0.000) 0.000 3.773 ( 0.000 -0.000 0.000) 0.000 3.854 ( -0.000 -0.000 0.000) 0.000 3.854 ( 0.000 -0.000 0.000) 0.000 3.940 ( -0.000 -0.000 0.000) 0.000 3.940 ( 0.000 -0.000 0.000) 0.000 4.086 ( -0.000 -0.000 0.000) 0.000 4.086 ( 0.000 -0.000 0.000) 0.000 4.204 ( -0.000 -0.000 0.000) 0.000 4.204 ( 0.000 -0.000 0.000) 0.000 4.254 ( -0.000 -0.000 0.000) 0.000 4.254 ( 0.000 -0.000 0.000) 0.000 4.340 ( -0.000 -0.000 0.000) 0.000 4.340 ( 0.000 -0.000 0.000) 0.000 4.458 ( -0.000 -0.000 0.000) 0.000 4.458 ( 0.000 -0.000 0.000) 0.000 4.669 ( -0.000 -0.000 0.000) 0.000 4.669 ( 0.000 -0.000 0.000) 0.000 4.800 ( -0.000 -0.000 0.000) 0.000 4.800 ( 0.000 -0.000 0.000) 0.000 4.902 ( -0.000 -0.000 0.000) 0.000 4.902 ( 0.000 -0.000 0.000) 0.000 4.923 ( -0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.959 ( -0.000 -0.000 0.000) 0.000 4.959 ( 0.000 -0.000 0.000) 0.000 5.107 ( -0.000 -0.000 0.000) 0.000 5.107 ( 0.000 -0.000 0.000) 0.000 5.314 ( -0.000 -0.000 0.000) 0.000 5.314 ( 0.000 -0.000 0.000) 0.000 5.398 ( -0.000 -0.000 0.000) 0.000 5.398 ( 0.000 -0.000 0.000) 0.000 5.868 ( -0.000 -0.000 0.000) 0.000 5.868 ( 0.000 -0.000 0.000) 0.000 6.065 ( -0.000 -0.000 0.000) 0.000 6.065 ( 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 3/30720 10.0 558.016 493.556 725.168 0.000 0.000 0.000 3/30720 20.0 134.459 121.750 138.219 0.000 0.000 0.000 3/30720 30.0 57.064 52.252 59.835 0.000 0.000 0.000 3/30720 40.0 31.449 29.067 33.607 0.000 0.000 0.000 3/30720 50.0 20.297 18.923 21.933 0.000 0.000 0.000 3/30720 60.0 14.589 13.693 15.857 0.000 0.000 0.000 3/30720 70.0 11.288 10.645 12.302 0.000 0.000 0.000 3/30720 80.0 9.190 8.695 10.025 0.000 0.000 0.000 3/30720 90.0 7.756 7.354 8.461 0.000 0.000 0.000 3/30720 100.0 6.720 6.381 7.327 0.000 0.000 0.000 3/30720 110.0 5.937 5.643 6.469 0.000 0.000 0.000 3/30720 120.0 5.325 5.064 5.797 0.000 0.000 0.000 3/30720 130.0 4.833 4.598 5.257 0.000 0.000 0.000 3/30720 140.0 4.428 4.214 4.813 0.000 0.000 0.000 3/30720 150.0 4.089 3.892 4.441 0.000 0.000 0.000 3/30720 160.0 3.801 3.618 4.124 0.000 0.000 0.000 3/30720 170.0 3.552 3.382 3.852 0.000 0.000 0.000 3/30720 180.0 3.335 3.175 3.614 0.000 0.000 0.000 3/30720 190.0 3.144 2.993 3.406 0.000 0.000 0.000 3/30720 200.0 2.975 2.832 3.220 0.000 0.000 0.000 3/30720 210.0 2.824 2.688 3.055 0.000 0.000 0.000 3/30720 220.0 2.687 2.558 2.906 0.000 0.000 0.000 3/30720 230.0 2.564 2.441 2.772 0.000 0.000 0.000 3/30720 240.0 2.452 2.334 2.650 0.000 0.000 0.000 3/30720 250.0 2.349 2.236 2.538 0.000 0.000 0.000 3/30720 260.0 2.255 2.147 2.436 0.000 0.000 0.000 3/30720 270.0 2.169 2.064 2.341 0.000 0.000 0.000 3/30720 280.0 2.089 1.988 2.254 0.000 0.000 0.000 3/30720 290.0 2.014 1.917 2.174 0.000 0.000 0.000 3/30720 300.0 1.945 1.851 2.099 0.000 0.000 0.000 3/30720 310.0 1.881 1.790 2.029 0.000 0.000 0.000 3/30720 320.0 1.821 1.733 1.963 0.000 0.000 0.000 3/30720 330.0 1.765 1.679 1.902 0.000 0.000 0.000 3/30720 340.0 1.712 1.629 1.845 0.000 0.000 0.000 3/30720 350.0 1.662 1.581 1.791 0.000 0.000 0.000 3/30720 360.0 1.615 1.537 1.740 0.000 0.000 0.000 3/30720 370.0 1.571 1.494 1.692 0.000 0.000 0.000 3/30720 380.0 1.529 1.454 1.647 0.000 0.000 0.000 3/30720 390.0 1.489 1.417 1.604 0.000 0.000 0.000 3/30720 400.0 1.451 1.381 1.563 0.000 0.000 0.000 3/30720 410.0 1.415 1.347 1.524 0.000 0.000 0.000 3/30720 420.0 1.381 1.314 1.487 0.000 0.000 0.000 3/30720 430.0 1.349 1.283 1.452 0.000 0.000 0.000 3/30720 440.0 1.318 1.254 1.419 0.000 0.000 0.000 3/30720 450.0 1.289 1.226 1.387 0.000 0.000 0.000 3/30720 460.0 1.260 1.199 1.356 0.000 0.000 0.000 3/30720 470.0 1.233 1.173 1.327 0.000 0.000 0.000 3/30720 480.0 1.207 1.149 1.299 0.000 0.000 0.000 3/30720 490.0 1.183 1.125 1.272 0.000 0.000 0.000 3/30720 500.0 1.159 1.102 1.247 0.000 0.000 0.000 3/30720 510.0 1.136 1.081 1.222 0.000 0.000 0.000 3/30720 520.0 1.114 1.060 1.198 0.000 0.000 0.000 3/30720 530.0 1.093 1.040 1.176 0.000 0.000 0.000 3/30720 540.0 1.073 1.020 1.154 0.000 0.000 0.000 3/30720 550.0 1.053 1.002 1.133 0.000 0.000 0.000 3/30720 560.0 1.034 0.984 1.112 0.000 0.000 0.000 3/30720 570.0 1.016 0.966 1.093 0.000 0.000 0.000 3/30720 580.0 0.999 0.950 1.074 0.000 0.000 0.000 3/30720 590.0 0.982 0.934 1.055 0.000 0.000 0.000 3/30720 600.0 0.965 0.918 1.038 0.000 0.000 0.000 3/30720 610.0 0.949 0.903 1.020 0.000 0.000 0.000 3/30720 620.0 0.934 0.888 1.004 0.000 0.000 0.000 3/30720 630.0 0.919 0.874 0.988 0.000 0.000 0.000 3/30720 640.0 0.905 0.861 0.972 0.000 0.000 0.000 3/30720 650.0 0.891 0.847 0.957 0.000 0.000 0.000 3/30720 660.0 0.877 0.834 0.943 0.000 0.000 0.000 3/30720 670.0 0.864 0.822 0.929 0.000 0.000 0.000 3/30720 680.0 0.851 0.810 0.915 0.000 0.000 0.000 3/30720 690.0 0.839 0.798 0.902 0.000 0.000 0.000 3/30720 700.0 0.827 0.787 0.889 0.000 0.000 0.000 3/30720 710.0 0.816 0.776 0.876 0.000 0.000 0.000 3/30720 720.0 0.804 0.765 0.864 0.000 0.000 0.000 3/30720 730.0 0.793 0.754 0.852 0.000 0.000 0.000 3/30720 740.0 0.782 0.744 0.841 0.000 0.000 0.000 3/30720 750.0 0.772 0.734 0.829 0.000 0.000 0.000 3/30720 760.0 0.762 0.725 0.818 0.000 0.000 0.000 3/30720 770.0 0.752 0.715 0.808 0.000 0.000 0.000 3/30720 780.0 0.742 0.706 0.797 0.000 0.000 0.000 3/30720 790.0 0.733 0.697 0.787 0.000 0.000 0.000 3/30720 800.0 0.724 0.688 0.777 0.000 0.000 0.000 3/30720 810.0 0.715 0.680 0.768 0.000 0.000 0.000 3/30720 820.0 0.706 0.672 0.758 0.000 0.000 0.000 3/30720 830.0 0.698 0.663 0.749 0.000 0.000 0.000 3/30720 840.0 0.689 0.656 0.740 0.000 0.000 0.000 3/30720 850.0 0.681 0.648 0.732 0.000 0.000 0.000 3/30720 860.0 0.673 0.640 0.723 0.000 0.000 0.000 3/30720 870.0 0.666 0.633 0.715 0.000 0.000 0.000 3/30720 880.0 0.658 0.626 0.707 0.000 0.000 0.000 3/30720 890.0 0.651 0.619 0.699 0.000 0.000 0.000 3/30720 900.0 0.643 0.612 0.691 0.000 0.000 0.000 3/30720 910.0 0.636 0.605 0.683 0.000 0.000 0.000 3/30720 920.0 0.629 0.599 0.676 0.000 0.000 0.000 3/30720 930.0 0.623 0.592 0.669 0.000 0.000 0.000 3/30720 940.0 0.616 0.586 0.662 0.000 0.000 0.000 3/30720 950.0 0.610 0.580 0.655 0.000 0.000 0.000 3/30720 960.0 0.603 0.574 0.648 0.000 0.000 0.000 3/30720 970.0 0.597 0.568 0.641 0.000 0.000 0.000 3/30720 980.0 0.591 0.562 0.635 0.000 0.000 0.000 3/30720 990.0 0.585 0.556 0.628 0.000 0.000 0.000 3/30720 1000.0 0.579 0.551 0.622 0.000 0.000 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:32:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|