----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:08:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752919050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.119703050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.245135090000000 Atomic positions (fractional): *1 N 0.12747533289078 0.45870361950367 0.64885198637806 14.007 2 N 0.87252466710921 0.54129638049633 0.14885198637806 14.007 3 N 0.37252466710922 0.45870361950367 0.14885198637806 14.007 4 N 0.62747533289079 0.54129638049633 0.64885198637806 14.007 *5 O 0.47104994622588 0.19608672707646 0.52669777469338 15.999 6 O 0.97104994622588 0.80391327292354 0.52669777469338 15.999 7 O 0.02895005377412 0.19608672707646 0.02669777469338 15.999 8 O 0.52895005377412 0.80391327292354 0.02669777469338 15.999 *9 K 0.54463019345101 0.13859001462721 0.02308619437640 39.098 10 K 0.95536980654899 0.13859001462721 0.52308619437640 39.098 11 K 0.45536980654899 0.86140998537279 0.52308619437640 39.098 12 K 0.04463019345101 0.86140998537279 0.02308619437640 39.098 *13 Ge 0.59030792364569 0.59467166712022 0.99336402455216 72.640 14 Ge 0.40969207635431 0.40532833287978 0.49336402455216 72.640 15 Ge 0.90969207635431 0.59467166712022 0.49336402455216 72.640 16 Ge 0.09030792364569 0.40532833287978 0.99336402455216 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.752919050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.119703050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.245135090000000 Atomic positions (fractional): *1 N 0.12747533289078 0.45870361950367 0.64885198637806 14.007 > 1 2 N 0.87252466710921 0.54129638049633 0.14885198637806 14.007 > 2 3 N 0.37252466710922 0.45870361950367 0.14885198637806 14.007 > 3 4 N 0.62747533289079 0.54129638049633 0.64885198637806 14.007 > 4 *5 O 0.47104994622588 0.19608672707646 0.52669777469338 15.999 > 5 6 O 0.97104994622588 0.80391327292354 0.52669777469338 15.999 > 6 7 O 0.02895005377412 0.19608672707646 0.02669777469338 15.999 > 7 8 O 0.52895005377412 0.80391327292354 0.02669777469338 15.999 > 8 *9 K 0.54463019345101 0.13859001462721 0.02308619437640 39.098 > 9 10 K 0.95536980654899 0.13859001462721 0.52308619437640 39.098 > 10 11 K 0.45536980654899 0.86140998537279 0.52308619437640 39.098 > 11 12 K 0.04463019345101 0.86140998537279 0.02308619437640 39.098 > 12 *13 Ge 0.59030792364569 0.59467166712022 0.99336402455216 72.640 > 13 14 Ge 0.40969207635431 0.40532833287978 0.49336402455216 72.640 > 14 15 Ge 0.90969207635431 0.59467166712022 0.49336402455216 72.640 > 15 16 Ge 0.09030792364569 0.40532833287978 0.99336402455216 72.640 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.505838100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.239406100000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.490270180000000 Atomic positions (fractional): *1 N 0.06373766644539 0.22935180975184 0.32442599318903 14.007 > 1 2 N 0.56373766644539 0.22935180975184 0.32442599318903 14.007 > 1 3 N 0.06373766644539 0.72935180975184 0.32442599318903 14.007 > 1 4 N 0.56373766644539 0.72935180975184 0.32442599318903 14.007 > 1 5 N 0.06373766644539 0.22935180975184 0.82442599318903 14.007 > 1 6 N 0.56373766644539 0.22935180975184 0.82442599318903 14.007 > 1 7 N 0.06373766644539 0.72935180975184 0.82442599318903 14.007 > 1 8 N 0.56373766644539 0.72935180975184 0.82442599318903 14.007 > 1 9 N 0.43626233355461 0.27064819024816 0.07442599318903 14.007 > 2 10 N 0.93626233355461 0.27064819024816 0.07442599318903 14.007 > 2 11 N 0.43626233355461 0.77064819024816 0.07442599318903 14.007 > 2 12 N 0.93626233355461 0.77064819024816 0.07442599318903 14.007 > 2 13 N 0.43626233355461 0.27064819024816 0.57442599318903 14.007 > 2 14 N 0.93626233355461 0.27064819024816 0.57442599318903 14.007 > 2 15 N 0.43626233355461 0.77064819024816 0.57442599318903 14.007 > 2 16 N 0.93626233355461 0.77064819024816 0.57442599318903 14.007 > 2 17 N 0.18626233355461 0.22935180975184 0.07442599318903 14.007 > 3 18 N 0.68626233355461 0.22935180975184 0.07442599318903 14.007 > 3 19 N 0.18626233355461 0.72935180975184 0.07442599318903 14.007 > 3 20 N 0.68626233355461 0.72935180975184 0.07442599318903 14.007 > 3 21 N 0.18626233355461 0.22935180975184 0.57442599318903 14.007 > 3 22 N 0.68626233355461 0.22935180975184 0.57442599318903 14.007 > 3 23 N 0.18626233355461 0.72935180975184 0.57442599318903 14.007 > 3 24 N 0.68626233355461 0.72935180975184 0.57442599318903 14.007 > 3 25 N 0.31373766644539 0.27064819024816 0.32442599318903 14.007 > 4 26 N 0.81373766644539 0.27064819024816 0.32442599318903 14.007 > 4 27 N 0.31373766644539 0.77064819024816 0.32442599318903 14.007 > 4 28 N 0.81373766644539 0.77064819024816 0.32442599318903 14.007 > 4 29 N 0.31373766644539 0.27064819024816 0.82442599318903 14.007 > 4 30 N 0.81373766644539 0.27064819024816 0.82442599318903 14.007 > 4 31 N 0.31373766644539 0.77064819024816 0.82442599318903 14.007 > 4 32 N 0.81373766644539 0.77064819024816 0.82442599318903 14.007 > 4 *33 O 0.23552497311294 0.09804336353823 0.26334888734669 15.999 > 5 34 O 0.73552497311294 0.09804336353823 0.26334888734669 15.999 > 5 35 O 0.23552497311294 0.59804336353823 0.26334888734669 15.999 > 5 36 O 0.73552497311294 0.59804336353823 0.26334888734669 15.999 > 5 37 O 0.23552497311294 0.09804336353823 0.76334888734669 15.999 > 5 38 O 0.73552497311294 0.09804336353823 0.76334888734669 15.999 > 5 39 O 0.23552497311294 0.59804336353823 0.76334888734669 15.999 > 5 40 O 0.73552497311294 0.59804336353823 0.76334888734669 15.999 > 5 41 O 0.48552497311294 0.40195663646177 0.26334888734669 15.999 > 6 42 O 0.98552497311294 0.40195663646177 0.26334888734669 15.999 > 6 43 O 0.48552497311294 0.90195663646177 0.26334888734669 15.999 > 6 44 O 0.98552497311294 0.90195663646177 0.26334888734669 15.999 > 6 45 O 0.48552497311294 0.40195663646177 0.76334888734669 15.999 > 6 46 O 0.98552497311294 0.40195663646177 0.76334888734669 15.999 > 6 47 O 0.48552497311294 0.90195663646177 0.76334888734669 15.999 > 6 48 O 0.98552497311294 0.90195663646177 0.76334888734669 15.999 > 6 49 O 0.01447502688706 0.09804336353823 0.01334888734669 15.999 > 7 50 O 0.51447502688706 0.09804336353823 0.01334888734669 15.999 > 7 51 O 0.01447502688706 0.59804336353823 0.01334888734669 15.999 > 7 52 O 0.51447502688706 0.59804336353823 0.01334888734669 15.999 > 7 53 O 0.01447502688706 0.09804336353823 0.51334888734669 15.999 > 7 54 O 0.51447502688706 0.09804336353823 0.51334888734669 15.999 > 7 55 O 0.01447502688706 0.59804336353823 0.51334888734669 15.999 > 7 56 O 0.51447502688706 0.59804336353823 0.51334888734669 15.999 > 7 57 O 0.26447502688706 0.40195663646177 0.01334888734669 15.999 > 8 58 O 0.76447502688706 0.40195663646177 0.01334888734669 15.999 > 8 59 O 0.26447502688706 0.90195663646177 0.01334888734669 15.999 > 8 60 O 0.76447502688706 0.90195663646177 0.01334888734669 15.999 > 8 61 O 0.26447502688706 0.40195663646177 0.51334888734669 15.999 > 8 62 O 0.76447502688706 0.40195663646177 0.51334888734669 15.999 > 8 63 O 0.26447502688706 0.90195663646177 0.51334888734669 15.999 > 8 64 O 0.76447502688706 0.90195663646177 0.51334888734669 15.999 > 8 *65 K 0.27231509672550 0.06929500731361 0.01154309718820 39.098 > 9 66 K 0.77231509672550 0.06929500731361 0.01154309718820 39.098 > 9 67 K 0.27231509672550 0.56929500731361 0.01154309718820 39.098 > 9 68 K 0.77231509672550 0.56929500731361 0.01154309718820 39.098 > 9 69 K 0.27231509672550 0.06929500731361 0.51154309718820 39.098 > 9 70 K 0.77231509672550 0.06929500731361 0.51154309718820 39.098 > 9 71 K 0.27231509672550 0.56929500731361 0.51154309718820 39.098 > 9 72 K 0.77231509672550 0.56929500731361 0.51154309718820 39.098 > 9 73 K 0.47768490327450 0.06929500731361 0.26154309718820 39.098 > 10 74 K 0.97768490327450 0.06929500731361 0.26154309718820 39.098 > 10 75 K 0.47768490327450 0.56929500731361 0.26154309718820 39.098 > 10 76 K 0.97768490327450 0.56929500731361 0.26154309718820 39.098 > 10 77 K 0.47768490327450 0.06929500731361 0.76154309718820 39.098 > 10 78 K 0.97768490327450 0.06929500731361 0.76154309718820 39.098 > 10 79 K 0.47768490327450 0.56929500731361 0.76154309718820 39.098 > 10 80 K 0.97768490327450 0.56929500731361 0.76154309718820 39.098 > 10 81 K 0.22768490327450 0.43070499268639 0.26154309718820 39.098 > 11 82 K 0.72768490327450 0.43070499268639 0.26154309718820 39.098 > 11 83 K 0.22768490327450 0.93070499268639 0.26154309718820 39.098 > 11 84 K 0.72768490327450 0.93070499268639 0.26154309718820 39.098 > 11 85 K 0.22768490327450 0.43070499268639 0.76154309718820 39.098 > 11 86 K 0.72768490327450 0.43070499268639 0.76154309718820 39.098 > 11 87 K 0.22768490327450 0.93070499268639 0.76154309718820 39.098 > 11 88 K 0.72768490327450 0.93070499268639 0.76154309718820 39.098 > 11 89 K 0.02231509672550 0.43070499268639 0.01154309718820 39.098 > 12 90 K 0.52231509672550 0.43070499268639 0.01154309718820 39.098 > 12 91 K 0.02231509672550 0.93070499268639 0.01154309718820 39.098 > 12 92 K 0.52231509672550 0.93070499268639 0.01154309718820 39.098 > 12 93 K 0.02231509672550 0.43070499268639 0.51154309718820 39.098 > 12 94 K 0.52231509672550 0.43070499268639 0.51154309718820 39.098 > 12 95 K 0.02231509672550 0.93070499268639 0.51154309718820 39.098 > 12 96 K 0.52231509672550 0.93070499268639 0.51154309718820 39.098 > 12 *97 Ge 0.29515396182285 0.29733583356011 0.49668201227608 72.640 > 13 98 Ge 0.79515396182285 0.29733583356011 0.49668201227608 72.640 > 13 99 Ge 0.29515396182285 0.79733583356011 0.49668201227608 72.640 > 13 100 Ge 0.79515396182285 0.79733583356011 0.49668201227608 72.640 > 13 101 Ge 0.29515396182285 0.29733583356011 0.99668201227608 72.640 > 13 102 Ge 0.79515396182285 0.29733583356011 0.99668201227608 72.640 > 13 103 Ge 0.29515396182285 0.79733583356011 0.99668201227608 72.640 > 13 104 Ge 0.79515396182285 0.79733583356011 0.99668201227608 72.640 > 13 105 Ge 0.20484603817715 0.20266416643989 0.24668201227608 72.640 > 14 106 Ge 0.70484603817715 0.20266416643989 0.24668201227608 72.640 > 14 107 Ge 0.20484603817715 0.70266416643989 0.24668201227608 72.640 > 14 108 Ge 0.70484603817715 0.70266416643989 0.24668201227608 72.640 > 14 109 Ge 0.20484603817715 0.20266416643989 0.74668201227608 72.640 > 14 110 Ge 0.70484603817715 0.20266416643989 0.74668201227608 72.640 > 14 111 Ge 0.20484603817715 0.70266416643989 0.74668201227608 72.640 > 14 112 Ge 0.70484603817715 0.70266416643989 0.74668201227608 72.640 > 14 113 Ge 0.45484603817715 0.29733583356011 0.24668201227608 72.640 > 15 114 Ge 0.95484603817715 0.29733583356011 0.24668201227608 72.640 > 15 115 Ge 0.45484603817715 0.79733583356011 0.24668201227608 72.640 > 15 116 Ge 0.95484603817715 0.79733583356011 0.24668201227608 72.640 > 15 117 Ge 0.45484603817715 0.29733583356011 0.74668201227608 72.640 > 15 118 Ge 0.95484603817715 0.29733583356011 0.74668201227608 72.640 > 15 119 Ge 0.45484603817715 0.79733583356011 0.74668201227608 72.640 > 15 120 Ge 0.95484603817715 0.79733583356011 0.74668201227608 72.640 > 15 121 Ge 0.04515396182284 0.20266416643989 0.49668201227608 72.640 > 16 122 Ge 0.54515396182285 0.20266416643989 0.49668201227608 72.640 > 16 123 Ge 0.04515396182284 0.70266416643989 0.49668201227608 72.640 > 16 124 Ge 0.54515396182285 0.70266416643989 0.49668201227608 72.640 > 16 125 Ge 0.04515396182284 0.20266416643989 0.99668201227608 72.640 > 16 126 Ge 0.54515396182285 0.20266416643989 0.99668201227608 72.640 > 16 127 Ge 0.04515396182284 0.70266416643989 0.99668201227608 72.640 > 16 128 Ge 0.54515396182285 0.70266416643989 0.99668201227608 72.640 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7043605 0.0000000 0.0000000 0.0000000 3.2946352 0.0000000 0.0000000 0.0000000 3.8379820 -------------------------- Born effective charges -------------------------- 1 N -2.7641590 0.6043448 0.0780663 0.3520261 -1.4327925 0.2854554 0.1906827 0.2868099 -2.8895836 2 N -2.7641590 0.6043448 -0.0780663 0.3520261 -1.4327925 -0.2854554 -0.1906827 -0.2868099 -2.8895836 3 N -2.7641590 -0.6043448 -0.0780663 -0.3520261 -1.4327925 0.2854554 -0.1906827 0.2868099 -2.8895836 4 N -2.7641590 -0.6043448 0.0780663 -0.3520261 -1.4327925 -0.2854554 0.1906827 -0.2868099 -2.8895836 5 O -1.5770522 0.2386032 -0.0201106 0.2094973 -2.3069875 0.0658686 -0.0106921 0.0565718 -1.6223264 6 O -1.5770522 -0.2386032 -0.0201106 -0.2094973 -2.3069875 -0.0658686 -0.0106921 -0.0565718 -1.6223264 7 O -1.5770522 -0.2386032 0.0201106 -0.2094973 -2.3069875 0.0658686 0.0106921 0.0565718 -1.6223264 8 O -1.5770522 0.2386032 0.0201106 0.2094973 -2.3069875 -0.0658686 0.0106921 -0.0565718 -1.6223264 9 K 1.1123732 -0.0606640 -0.0062711 -0.0370359 1.3773330 0.0091338 -0.0076477 0.0285812 1.1546203 10 K 1.1123732 0.0606640 0.0062711 0.0370359 1.3773330 0.0091338 0.0076477 0.0285812 1.1546203 11 K 1.1123732 -0.0606640 0.0062711 -0.0370359 1.3773330 -0.0091338 0.0076477 -0.0285812 1.1546203 12 K 1.1123732 0.0606640 -0.0062711 0.0370359 1.3773330 -0.0091338 -0.0076477 -0.0285812 1.1546203 13 Ge 3.2288381 0.2521732 -0.0825347 -0.0480030 2.3624470 -0.0285170 -0.0159879 -0.1981475 3.3572897 14 Ge 3.2288381 0.2521732 0.0825347 -0.0480030 2.3624470 0.0285170 0.0159879 0.1981475 3.3572897 15 Ge 3.2288381 -0.2521732 0.0825347 0.0480030 2.3624470 -0.0285170 0.0159879 -0.1981475 3.3572897 16 Ge 3.2288381 -0.2521732 -0.0825347 0.0480030 2.3624470 0.0285170 -0.0159879 0.1981475 3.3572897 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2352 Number of blocks in projector: 2352 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (2352, 2316), data: False |-- (272, 268), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.966 Solver_block: 200 / 480 - Time: 0.842 Solver_block: 300 / 480 - Time: 0.842 Solver_block: 400 / 480 - Time: 0.928 Solver_block: 480 / 480 - Time: 0.735 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.618 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2352 Number of blocks in projector: 2352 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (2352, 2316), data: False |-- (272, 268), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), 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 22:09:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:09:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752919050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.119703050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.245135090000000 Atomic positions (fractional): 1 N 0.12747533289078 0.45870361950367 0.64885198637806 14.007 2 N 0.87252466710921 0.54129638049633 0.14885198637806 14.007 3 N 0.37252466710922 0.45870361950367 0.14885198637806 14.007 4 N 0.62747533289079 0.54129638049633 0.64885198637806 14.007 5 O 0.47104994622588 0.19608672707646 0.52669777469338 15.999 6 O 0.97104994622588 0.80391327292354 0.52669777469338 15.999 7 O 0.02895005377412 0.19608672707646 0.02669777469338 15.999 8 O 0.52895005377412 0.80391327292354 0.02669777469338 15.999 9 K 0.54463019345101 0.13859001462721 0.02308619437640 39.098 10 K 0.95536980654899 0.13859001462721 0.52308619437640 39.098 11 K 0.45536980654899 0.86140998537279 0.52308619437640 39.098 12 K 0.04463019345101 0.86140998537279 0.02308619437640 39.098 13 Ge 0.59030792364569 0.59467166712022 0.99336402455216 72.640 14 Ge 0.40969207635431 0.40532833287978 0.49336402455216 72.640 15 Ge 0.90969207635431 0.59467166712022 0.49336402455216 72.640 16 Ge 0.09030792364569 0.40532833287978 0.99336402455216 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.505838100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.239406100000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.490270180000000 Atomic positions (fractional): 1 N 0.06373766644539 0.22935180975184 0.32442599318903 14.007 > 1 2 N 0.56373766644539 0.22935180975184 0.32442599318903 14.007 > 1 3 N 0.06373766644539 0.72935180975184 0.32442599318903 14.007 > 1 4 N 0.56373766644539 0.72935180975184 0.32442599318903 14.007 > 1 5 N 0.06373766644539 0.22935180975184 0.82442599318903 14.007 > 1 6 N 0.56373766644539 0.22935180975184 0.82442599318903 14.007 > 1 7 N 0.06373766644539 0.72935180975184 0.82442599318903 14.007 > 1 8 N 0.56373766644539 0.72935180975184 0.82442599318903 14.007 > 1 9 N 0.43626233355461 0.27064819024816 0.07442599318903 14.007 > 9 10 N 0.93626233355461 0.27064819024816 0.07442599318903 14.007 > 9 11 N 0.43626233355461 0.77064819024816 0.07442599318903 14.007 > 9 12 N 0.93626233355461 0.77064819024816 0.07442599318903 14.007 > 9 13 N 0.43626233355461 0.27064819024816 0.57442599318903 14.007 > 9 14 N 0.93626233355461 0.27064819024816 0.57442599318903 14.007 > 9 15 N 0.43626233355461 0.77064819024816 0.57442599318903 14.007 > 9 16 N 0.93626233355461 0.77064819024816 0.57442599318903 14.007 > 9 17 N 0.18626233355461 0.22935180975184 0.07442599318903 14.007 > 17 18 N 0.68626233355461 0.22935180975184 0.07442599318903 14.007 > 17 19 N 0.18626233355461 0.72935180975184 0.07442599318903 14.007 > 17 20 N 0.68626233355461 0.72935180975184 0.07442599318903 14.007 > 17 21 N 0.18626233355461 0.22935180975184 0.57442599318903 14.007 > 17 22 N 0.68626233355461 0.22935180975184 0.57442599318903 14.007 > 17 23 N 0.18626233355461 0.72935180975184 0.57442599318903 14.007 > 17 24 N 0.68626233355461 0.72935180975184 0.57442599318903 14.007 > 17 25 N 0.31373766644539 0.27064819024816 0.32442599318903 14.007 > 25 26 N 0.81373766644539 0.27064819024816 0.32442599318903 14.007 > 25 27 N 0.31373766644539 0.77064819024816 0.32442599318903 14.007 > 25 28 N 0.81373766644539 0.77064819024816 0.32442599318903 14.007 > 25 29 N 0.31373766644539 0.27064819024816 0.82442599318903 14.007 > 25 30 N 0.81373766644539 0.27064819024816 0.82442599318903 14.007 > 25 31 N 0.31373766644539 0.77064819024816 0.82442599318903 14.007 > 25 32 N 0.81373766644539 0.77064819024816 0.82442599318903 14.007 > 25 33 O 0.23552497311294 0.09804336353823 0.26334888734669 15.999 > 33 34 O 0.73552497311294 0.09804336353823 0.26334888734669 15.999 > 33 35 O 0.23552497311294 0.59804336353823 0.26334888734669 15.999 > 33 36 O 0.73552497311294 0.59804336353823 0.26334888734669 15.999 > 33 37 O 0.23552497311294 0.09804336353823 0.76334888734669 15.999 > 33 38 O 0.73552497311294 0.09804336353823 0.76334888734669 15.999 > 33 39 O 0.23552497311294 0.59804336353823 0.76334888734669 15.999 > 33 40 O 0.73552497311294 0.59804336353823 0.76334888734669 15.999 > 33 41 O 0.48552497311294 0.40195663646177 0.26334888734669 15.999 > 41 42 O 0.98552497311294 0.40195663646177 0.26334888734669 15.999 > 41 43 O 0.48552497311294 0.90195663646177 0.26334888734669 15.999 > 41 44 O 0.98552497311294 0.90195663646177 0.26334888734669 15.999 > 41 45 O 0.48552497311294 0.40195663646177 0.76334888734669 15.999 > 41 46 O 0.98552497311294 0.40195663646177 0.76334888734669 15.999 > 41 47 O 0.48552497311294 0.90195663646177 0.76334888734669 15.999 > 41 48 O 0.98552497311294 0.90195663646177 0.76334888734669 15.999 > 41 49 O 0.01447502688706 0.09804336353823 0.01334888734669 15.999 > 49 50 O 0.51447502688706 0.09804336353823 0.01334888734669 15.999 > 49 51 O 0.01447502688706 0.59804336353823 0.01334888734669 15.999 > 49 52 O 0.51447502688706 0.59804336353823 0.01334888734669 15.999 > 49 53 O 0.01447502688706 0.09804336353823 0.51334888734669 15.999 > 49 54 O 0.51447502688706 0.09804336353823 0.51334888734669 15.999 > 49 55 O 0.01447502688706 0.59804336353823 0.51334888734669 15.999 > 49 56 O 0.51447502688706 0.59804336353823 0.51334888734669 15.999 > 49 57 O 0.26447502688706 0.40195663646177 0.01334888734669 15.999 > 57 58 O 0.76447502688706 0.40195663646177 0.01334888734669 15.999 > 57 59 O 0.26447502688706 0.90195663646177 0.01334888734669 15.999 > 57 60 O 0.76447502688706 0.90195663646177 0.01334888734669 15.999 > 57 61 O 0.26447502688706 0.40195663646177 0.51334888734669 15.999 > 57 62 O 0.76447502688706 0.40195663646177 0.51334888734669 15.999 > 57 63 O 0.26447502688706 0.90195663646177 0.51334888734669 15.999 > 57 64 O 0.76447502688706 0.90195663646177 0.51334888734669 15.999 > 57 65 K 0.27231509672550 0.06929500731361 0.01154309718820 39.098 > 65 66 K 0.77231509672550 0.06929500731361 0.01154309718820 39.098 > 65 67 K 0.27231509672550 0.56929500731361 0.01154309718820 39.098 > 65 68 K 0.77231509672550 0.56929500731361 0.01154309718820 39.098 > 65 69 K 0.27231509672550 0.06929500731361 0.51154309718820 39.098 > 65 70 K 0.77231509672550 0.06929500731361 0.51154309718820 39.098 > 65 71 K 0.27231509672550 0.56929500731361 0.51154309718820 39.098 > 65 72 K 0.77231509672550 0.56929500731361 0.51154309718820 39.098 > 65 73 K 0.47768490327450 0.06929500731361 0.26154309718820 39.098 > 73 74 K 0.97768490327450 0.06929500731361 0.26154309718820 39.098 > 73 75 K 0.47768490327450 0.56929500731361 0.26154309718820 39.098 > 73 76 K 0.97768490327450 0.56929500731361 0.26154309718820 39.098 > 73 77 K 0.47768490327450 0.06929500731361 0.76154309718820 39.098 > 73 78 K 0.97768490327450 0.06929500731361 0.76154309718820 39.098 > 73 79 K 0.47768490327450 0.56929500731361 0.76154309718820 39.098 > 73 80 K 0.97768490327450 0.56929500731361 0.76154309718820 39.098 > 73 81 K 0.22768490327450 0.43070499268639 0.26154309718820 39.098 > 81 82 K 0.72768490327450 0.43070499268639 0.26154309718820 39.098 > 81 83 K 0.22768490327450 0.93070499268639 0.26154309718820 39.098 > 81 84 K 0.72768490327450 0.93070499268639 0.26154309718820 39.098 > 81 85 K 0.22768490327450 0.43070499268639 0.76154309718820 39.098 > 81 86 K 0.72768490327450 0.43070499268639 0.76154309718820 39.098 > 81 87 K 0.22768490327450 0.93070499268639 0.76154309718820 39.098 > 81 88 K 0.72768490327450 0.93070499268639 0.76154309718820 39.098 > 81 89 K 0.02231509672550 0.43070499268639 0.01154309718820 39.098 > 89 90 K 0.52231509672550 0.43070499268639 0.01154309718820 39.098 > 89 91 K 0.02231509672550 0.93070499268639 0.01154309718820 39.098 > 89 92 K 0.52231509672550 0.93070499268639 0.01154309718820 39.098 > 89 93 K 0.02231509672550 0.43070499268639 0.51154309718820 39.098 > 89 94 K 0.52231509672550 0.43070499268639 0.51154309718820 39.098 > 89 95 K 0.02231509672550 0.93070499268639 0.51154309718820 39.098 > 89 96 K 0.52231509672550 0.93070499268639 0.51154309718820 39.098 > 89 97 Ge 0.29515396182285 0.29733583356011 0.49668201227608 72.640 > 97 98 Ge 0.79515396182285 0.29733583356011 0.49668201227608 72.640 > 97 99 Ge 0.29515396182285 0.79733583356011 0.49668201227608 72.640 > 97 100 Ge 0.79515396182285 0.79733583356011 0.49668201227608 72.640 > 97 101 Ge 0.29515396182285 0.29733583356011 0.99668201227608 72.640 > 97 102 Ge 0.79515396182285 0.29733583356011 0.99668201227608 72.640 > 97 103 Ge 0.29515396182285 0.79733583356011 0.99668201227608 72.640 > 97 104 Ge 0.79515396182285 0.79733583356011 0.99668201227608 72.640 > 97 105 Ge 0.20484603817715 0.20266416643989 0.24668201227608 72.640 > 105 106 Ge 0.70484603817715 0.20266416643989 0.24668201227608 72.640 > 105 107 Ge 0.20484603817715 0.70266416643989 0.24668201227608 72.640 > 105 108 Ge 0.70484603817715 0.70266416643989 0.24668201227608 72.640 > 105 109 Ge 0.20484603817715 0.20266416643989 0.74668201227608 72.640 > 105 110 Ge 0.70484603817715 0.20266416643989 0.74668201227608 72.640 > 105 111 Ge 0.20484603817715 0.70266416643989 0.74668201227608 72.640 > 105 112 Ge 0.70484603817715 0.70266416643989 0.74668201227608 72.640 > 105 113 Ge 0.45484603817715 0.29733583356011 0.24668201227608 72.640 > 113 114 Ge 0.95484603817715 0.29733583356011 0.24668201227608 72.640 > 113 115 Ge 0.45484603817715 0.79733583356011 0.24668201227608 72.640 > 113 116 Ge 0.95484603817715 0.79733583356011 0.24668201227608 72.640 > 113 117 Ge 0.45484603817715 0.29733583356011 0.74668201227608 72.640 > 113 118 Ge 0.95484603817715 0.29733583356011 0.74668201227608 72.640 > 113 119 Ge 0.45484603817715 0.79733583356011 0.74668201227608 72.640 > 113 120 Ge 0.95484603817715 0.79733583356011 0.74668201227608 72.640 > 113 121 Ge 0.04515396182284 0.20266416643989 0.49668201227608 72.640 > 121 122 Ge 0.54515396182285 0.20266416643989 0.49668201227608 72.640 > 121 123 Ge 0.04515396182284 0.70266416643989 0.49668201227608 72.640 > 121 124 Ge 0.54515396182285 0.70266416643989 0.49668201227608 72.640 > 121 125 Ge 0.04515396182284 0.20266416643989 0.99668201227608 72.640 > 121 126 Ge 0.54515396182285 0.20266416643989 0.99668201227608 72.640 > 121 127 Ge 0.04515396182284 0.70266416643989 0.99668201227608 72.640 > 121 128 Ge 0.54515396182285 0.70266416643989 0.99668201227608 72.640 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7043605 0.0000000 0.0000000 0.0000000 3.2946352 0.0000000 0.0000000 0.0000000 3.8379820 -------------------------- Born effective charges -------------------------- 1 N -2.7641590 0.6043448 0.0780663 0.3520261 -1.4327925 0.2854554 0.1906827 0.2868099 -2.8895836 2 N -2.7641590 0.6043448 -0.0780663 0.3520261 -1.4327925 -0.2854554 -0.1906827 -0.2868099 -2.8895836 3 N -2.7641590 -0.6043448 -0.0780663 -0.3520261 -1.4327925 0.2854554 -0.1906827 0.2868099 -2.8895836 4 N -2.7641590 -0.6043448 0.0780663 -0.3520261 -1.4327925 -0.2854554 0.1906827 -0.2868099 -2.8895836 5 O -1.5770522 0.2386032 -0.0201106 0.2094973 -2.3069875 0.0658686 -0.0106921 0.0565718 -1.6223264 6 O -1.5770522 -0.2386032 -0.0201106 -0.2094973 -2.3069875 -0.0658686 -0.0106921 -0.0565718 -1.6223264 7 O -1.5770522 -0.2386032 0.0201106 -0.2094973 -2.3069875 0.0658686 0.0106921 0.0565718 -1.6223264 8 O -1.5770522 0.2386032 0.0201106 0.2094973 -2.3069875 -0.0658686 0.0106921 -0.0565718 -1.6223264 9 K 1.1123732 -0.0606640 -0.0062711 -0.0370359 1.3773330 0.0091338 -0.0076477 0.0285812 1.1546203 10 K 1.1123732 0.0606640 0.0062711 0.0370359 1.3773330 0.0091338 0.0076477 0.0285812 1.1546203 11 K 1.1123732 -0.0606640 0.0062711 -0.0370359 1.3773330 -0.0091338 0.0076477 -0.0285812 1.1546203 12 K 1.1123732 0.0606640 -0.0062711 0.0370359 1.3773330 -0.0091338 -0.0076477 -0.0285812 1.1546203 13 Ge 3.2288381 0.2521732 -0.0825347 -0.0480030 2.3624470 -0.0285170 -0.0159879 -0.1981475 3.3572897 14 Ge 3.2288381 0.2521732 0.0825347 -0.0480030 2.3624470 0.0285170 0.0159879 0.1981475 3.3572897 15 Ge 3.2288381 -0.2521732 0.0825347 0.0480030 2.3624470 -0.0285170 0.0159879 -0.1981475 3.3572897 16 Ge 3.2288381 -0.2521732 -0.0825347 0.0480030 2.3624470 0.0285170 -0.0159879 0.1981475 3.3572897 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000018 (yyy) -0.00000018 (yyy) -0.00000018 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (yz) 0.00000007 (yz) 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 22:09:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:09:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752919050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.119703050000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.245135090000000 Atomic positions (fractional): 1 N 0.12747533289078 0.45870361950367 0.64885198637806 14.007 2 N 0.87252466710921 0.54129638049633 0.14885198637806 14.007 3 N 0.37252466710922 0.45870361950367 0.14885198637806 14.007 4 N 0.62747533289079 0.54129638049633 0.64885198637806 14.007 5 O 0.47104994622588 0.19608672707646 0.52669777469338 15.999 6 O 0.97104994622588 0.80391327292354 0.52669777469338 15.999 7 O 0.02895005377412 0.19608672707646 0.02669777469338 15.999 8 O 0.52895005377412 0.80391327292354 0.02669777469338 15.999 9 K 0.54463019345101 0.13859001462721 0.02308619437640 39.098 10 K 0.95536980654899 0.13859001462721 0.52308619437640 39.098 11 K 0.45536980654899 0.86140998537279 0.52308619437640 39.098 12 K 0.04463019345101 0.86140998537279 0.02308619437640 39.098 13 Ge 0.59030792364569 0.59467166712022 0.99336402455216 72.640 14 Ge 0.40969207635431 0.40532833287978 0.49336402455216 72.640 15 Ge 0.90969207635431 0.59467166712022 0.49336402455216 72.640 16 Ge 0.09030792364569 0.40532833287978 0.99336402455216 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.505838100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.239406100000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.490270180000000 Atomic positions (fractional): 1 N 0.06373766644539 0.22935180975184 0.32442599318903 14.007 > 1 2 N 0.56373766644539 0.22935180975184 0.32442599318903 14.007 > 1 3 N 0.06373766644539 0.72935180975184 0.32442599318903 14.007 > 1 4 N 0.56373766644539 0.72935180975184 0.32442599318903 14.007 > 1 5 N 0.06373766644539 0.22935180975184 0.82442599318903 14.007 > 1 6 N 0.56373766644539 0.22935180975184 0.82442599318903 14.007 > 1 7 N 0.06373766644539 0.72935180975184 0.82442599318903 14.007 > 1 8 N 0.56373766644539 0.72935180975184 0.82442599318903 14.007 > 1 9 N 0.43626233355461 0.27064819024816 0.07442599318903 14.007 > 9 10 N 0.93626233355461 0.27064819024816 0.07442599318903 14.007 > 9 11 N 0.43626233355461 0.77064819024816 0.07442599318903 14.007 > 9 12 N 0.93626233355461 0.77064819024816 0.07442599318903 14.007 > 9 13 N 0.43626233355461 0.27064819024816 0.57442599318903 14.007 > 9 14 N 0.93626233355461 0.27064819024816 0.57442599318903 14.007 > 9 15 N 0.43626233355461 0.77064819024816 0.57442599318903 14.007 > 9 16 N 0.93626233355461 0.77064819024816 0.57442599318903 14.007 > 9 17 N 0.18626233355461 0.22935180975184 0.07442599318903 14.007 > 17 18 N 0.68626233355461 0.22935180975184 0.07442599318903 14.007 > 17 19 N 0.18626233355461 0.72935180975184 0.07442599318903 14.007 > 17 20 N 0.68626233355461 0.72935180975184 0.07442599318903 14.007 > 17 21 N 0.18626233355461 0.22935180975184 0.57442599318903 14.007 > 17 22 N 0.68626233355461 0.22935180975184 0.57442599318903 14.007 > 17 23 N 0.18626233355461 0.72935180975184 0.57442599318903 14.007 > 17 24 N 0.68626233355461 0.72935180975184 0.57442599318903 14.007 > 17 25 N 0.31373766644539 0.27064819024816 0.32442599318903 14.007 > 25 26 N 0.81373766644539 0.27064819024816 0.32442599318903 14.007 > 25 27 N 0.31373766644539 0.77064819024816 0.32442599318903 14.007 > 25 28 N 0.81373766644539 0.77064819024816 0.32442599318903 14.007 > 25 29 N 0.31373766644539 0.27064819024816 0.82442599318903 14.007 > 25 30 N 0.81373766644539 0.27064819024816 0.82442599318903 14.007 > 25 31 N 0.31373766644539 0.77064819024816 0.82442599318903 14.007 > 25 32 N 0.81373766644539 0.77064819024816 0.82442599318903 14.007 > 25 33 O 0.23552497311294 0.09804336353823 0.26334888734669 15.999 > 33 34 O 0.73552497311294 0.09804336353823 0.26334888734669 15.999 > 33 35 O 0.23552497311294 0.59804336353823 0.26334888734669 15.999 > 33 36 O 0.73552497311294 0.59804336353823 0.26334888734669 15.999 > 33 37 O 0.23552497311294 0.09804336353823 0.76334888734669 15.999 > 33 38 O 0.73552497311294 0.09804336353823 0.76334888734669 15.999 > 33 39 O 0.23552497311294 0.59804336353823 0.76334888734669 15.999 > 33 40 O 0.73552497311294 0.59804336353823 0.76334888734669 15.999 > 33 41 O 0.48552497311294 0.40195663646177 0.26334888734669 15.999 > 41 42 O 0.98552497311294 0.40195663646177 0.26334888734669 15.999 > 41 43 O 0.48552497311294 0.90195663646177 0.26334888734669 15.999 > 41 44 O 0.98552497311294 0.90195663646177 0.26334888734669 15.999 > 41 45 O 0.48552497311294 0.40195663646177 0.76334888734669 15.999 > 41 46 O 0.98552497311294 0.40195663646177 0.76334888734669 15.999 > 41 47 O 0.48552497311294 0.90195663646177 0.76334888734669 15.999 > 41 48 O 0.98552497311294 0.90195663646177 0.76334888734669 15.999 > 41 49 O 0.01447502688706 0.09804336353823 0.01334888734669 15.999 > 49 50 O 0.51447502688706 0.09804336353823 0.01334888734669 15.999 > 49 51 O 0.01447502688706 0.59804336353823 0.01334888734669 15.999 > 49 52 O 0.51447502688706 0.59804336353823 0.01334888734669 15.999 > 49 53 O 0.01447502688706 0.09804336353823 0.51334888734669 15.999 > 49 54 O 0.51447502688706 0.09804336353823 0.51334888734669 15.999 > 49 55 O 0.01447502688706 0.59804336353823 0.51334888734669 15.999 > 49 56 O 0.51447502688706 0.59804336353823 0.51334888734669 15.999 > 49 57 O 0.26447502688706 0.40195663646177 0.01334888734669 15.999 > 57 58 O 0.76447502688706 0.40195663646177 0.01334888734669 15.999 > 57 59 O 0.26447502688706 0.90195663646177 0.01334888734669 15.999 > 57 60 O 0.76447502688706 0.90195663646177 0.01334888734669 15.999 > 57 61 O 0.26447502688706 0.40195663646177 0.51334888734669 15.999 > 57 62 O 0.76447502688706 0.40195663646177 0.51334888734669 15.999 > 57 63 O 0.26447502688706 0.90195663646177 0.51334888734669 15.999 > 57 64 O 0.76447502688706 0.90195663646177 0.51334888734669 15.999 > 57 65 K 0.27231509672550 0.06929500731361 0.01154309718820 39.098 > 65 66 K 0.77231509672550 0.06929500731361 0.01154309718820 39.098 > 65 67 K 0.27231509672550 0.56929500731361 0.01154309718820 39.098 > 65 68 K 0.77231509672550 0.56929500731361 0.01154309718820 39.098 > 65 69 K 0.27231509672550 0.06929500731361 0.51154309718820 39.098 > 65 70 K 0.77231509672550 0.06929500731361 0.51154309718820 39.098 > 65 71 K 0.27231509672550 0.56929500731361 0.51154309718820 39.098 > 65 72 K 0.77231509672550 0.56929500731361 0.51154309718820 39.098 > 65 73 K 0.47768490327450 0.06929500731361 0.26154309718820 39.098 > 73 74 K 0.97768490327450 0.06929500731361 0.26154309718820 39.098 > 73 75 K 0.47768490327450 0.56929500731361 0.26154309718820 39.098 > 73 76 K 0.97768490327450 0.56929500731361 0.26154309718820 39.098 > 73 77 K 0.47768490327450 0.06929500731361 0.76154309718820 39.098 > 73 78 K 0.97768490327450 0.06929500731361 0.76154309718820 39.098 > 73 79 K 0.47768490327450 0.56929500731361 0.76154309718820 39.098 > 73 80 K 0.97768490327450 0.56929500731361 0.76154309718820 39.098 > 73 81 K 0.22768490327450 0.43070499268639 0.26154309718820 39.098 > 81 82 K 0.72768490327450 0.43070499268639 0.26154309718820 39.098 > 81 83 K 0.22768490327450 0.93070499268639 0.26154309718820 39.098 > 81 84 K 0.72768490327450 0.93070499268639 0.26154309718820 39.098 > 81 85 K 0.22768490327450 0.43070499268639 0.76154309718820 39.098 > 81 86 K 0.72768490327450 0.43070499268639 0.76154309718820 39.098 > 81 87 K 0.22768490327450 0.93070499268639 0.76154309718820 39.098 > 81 88 K 0.72768490327450 0.93070499268639 0.76154309718820 39.098 > 81 89 K 0.02231509672550 0.43070499268639 0.01154309718820 39.098 > 89 90 K 0.52231509672550 0.43070499268639 0.01154309718820 39.098 > 89 91 K 0.02231509672550 0.93070499268639 0.01154309718820 39.098 > 89 92 K 0.52231509672550 0.93070499268639 0.01154309718820 39.098 > 89 93 K 0.02231509672550 0.43070499268639 0.51154309718820 39.098 > 89 94 K 0.52231509672550 0.43070499268639 0.51154309718820 39.098 > 89 95 K 0.02231509672550 0.93070499268639 0.51154309718820 39.098 > 89 96 K 0.52231509672550 0.93070499268639 0.51154309718820 39.098 > 89 97 Ge 0.29515396182285 0.29733583356011 0.49668201227608 72.640 > 97 98 Ge 0.79515396182285 0.29733583356011 0.49668201227608 72.640 > 97 99 Ge 0.29515396182285 0.79733583356011 0.49668201227608 72.640 > 97 100 Ge 0.79515396182285 0.79733583356011 0.49668201227608 72.640 > 97 101 Ge 0.29515396182285 0.29733583356011 0.99668201227608 72.640 > 97 102 Ge 0.79515396182285 0.29733583356011 0.99668201227608 72.640 > 97 103 Ge 0.29515396182285 0.79733583356011 0.99668201227608 72.640 > 97 104 Ge 0.79515396182285 0.79733583356011 0.99668201227608 72.640 > 97 105 Ge 0.20484603817715 0.20266416643989 0.24668201227608 72.640 > 105 106 Ge 0.70484603817715 0.20266416643989 0.24668201227608 72.640 > 105 107 Ge 0.20484603817715 0.70266416643989 0.24668201227608 72.640 > 105 108 Ge 0.70484603817715 0.70266416643989 0.24668201227608 72.640 > 105 109 Ge 0.20484603817715 0.20266416643989 0.74668201227608 72.640 > 105 110 Ge 0.70484603817715 0.20266416643989 0.74668201227608 72.640 > 105 111 Ge 0.20484603817715 0.70266416643989 0.74668201227608 72.640 > 105 112 Ge 0.70484603817715 0.70266416643989 0.74668201227608 72.640 > 105 113 Ge 0.45484603817715 0.29733583356011 0.24668201227608 72.640 > 113 114 Ge 0.95484603817715 0.29733583356011 0.24668201227608 72.640 > 113 115 Ge 0.45484603817715 0.79733583356011 0.24668201227608 72.640 > 113 116 Ge 0.95484603817715 0.79733583356011 0.24668201227608 72.640 > 113 117 Ge 0.45484603817715 0.29733583356011 0.74668201227608 72.640 > 113 118 Ge 0.95484603817715 0.29733583356011 0.74668201227608 72.640 > 113 119 Ge 0.45484603817715 0.79733583356011 0.74668201227608 72.640 > 113 120 Ge 0.95484603817715 0.79733583356011 0.74668201227608 72.640 > 113 121 Ge 0.04515396182284 0.20266416643989 0.49668201227608 72.640 > 121 122 Ge 0.54515396182285 0.20266416643989 0.49668201227608 72.640 > 121 123 Ge 0.04515396182284 0.70266416643989 0.49668201227608 72.640 > 121 124 Ge 0.54515396182285 0.70266416643989 0.49668201227608 72.640 > 121 125 Ge 0.04515396182284 0.20266416643989 0.99668201227608 72.640 > 121 126 Ge 0.54515396182285 0.20266416643989 0.99668201227608 72.640 > 121 127 Ge 0.04515396182284 0.70266416643989 0.99668201227608 72.640 > 121 128 Ge 0.54515396182285 0.70266416643989 0.99668201227608 72.640 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7043605 0.0000000 0.0000000 0.0000000 3.2946352 0.0000000 0.0000000 0.0000000 3.8379820 -------------------------- Born effective charges -------------------------- 1 N -2.7641590 0.6043448 0.0780663 0.3520261 -1.4327925 0.2854554 0.1906827 0.2868099 -2.8895836 2 N -2.7641590 0.6043448 -0.0780663 0.3520261 -1.4327925 -0.2854554 -0.1906827 -0.2868099 -2.8895836 3 N -2.7641590 -0.6043448 -0.0780663 -0.3520261 -1.4327925 0.2854554 -0.1906827 0.2868099 -2.8895836 4 N -2.7641590 -0.6043448 0.0780663 -0.3520261 -1.4327925 -0.2854554 0.1906827 -0.2868099 -2.8895836 5 O -1.5770522 0.2386032 -0.0201106 0.2094973 -2.3069875 0.0658686 -0.0106921 0.0565718 -1.6223264 6 O -1.5770522 -0.2386032 -0.0201106 -0.2094973 -2.3069875 -0.0658686 -0.0106921 -0.0565718 -1.6223264 7 O -1.5770522 -0.2386032 0.0201106 -0.2094973 -2.3069875 0.0658686 0.0106921 0.0565718 -1.6223264 8 O -1.5770522 0.2386032 0.0201106 0.2094973 -2.3069875 -0.0658686 0.0106921 -0.0565718 -1.6223264 9 K 1.1123732 -0.0606640 -0.0062711 -0.0370359 1.3773330 0.0091338 -0.0076477 0.0285812 1.1546203 10 K 1.1123732 0.0606640 0.0062711 0.0370359 1.3773330 0.0091338 0.0076477 0.0285812 1.1546203 11 K 1.1123732 -0.0606640 0.0062711 -0.0370359 1.3773330 -0.0091338 0.0076477 -0.0285812 1.1546203 12 K 1.1123732 0.0606640 -0.0062711 0.0370359 1.3773330 -0.0091338 -0.0076477 -0.0285812 1.1546203 13 Ge 3.2288381 0.2521732 -0.0825347 -0.0480030 2.3624470 -0.0285170 -0.0159879 -0.1981475 3.3572897 14 Ge 3.2288381 0.2521732 0.0825347 -0.0480030 2.3624470 0.0285170 0.0159879 0.1981475 3.3572897 15 Ge 3.2288381 -0.2521732 0.0825347 0.0480030 2.3624470 -0.0285170 0.0159879 -0.1981475 3.3572897 16 Ge 3.2288381 -0.2521732 -0.0825347 0.0480030 2.3624470 0.0285170 -0.0159879 0.1981475 3.3572897 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000018 (yyy) -0.00000018 (yyy) -0.00000018 (yyy) 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 ... [ 9 6 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 303, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 -0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 -0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 -0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 -0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 -0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 -0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 -0.000) 0.000 9.736 ( 0.000 0.000 -0.000) 0.000 10.646 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.603 ( 0.000 0.000 0.000) 0.000 19.830 ( 0.000 0.000 0.000) 0.000 20.996 ( 0.000 0.000 0.000) 0.000 21.048 ( 0.000 0.000 -0.000) 0.000 21.146 ( 0.000 0.000 -0.000) 0.000 21.218 ( 0.000 0.000 0.000) 0.000 21.808 ( 0.000 0.000 -0.000) 0.000 22.085 ( 0.000 0.000 0.000) 0.000 22.120 ( 0.000 0.000 0.000) 0.000 23.021 ( 0.000 0.000 0.000) 0.000 23.553 ( 0.000 0.000 -0.000) 0.000 24.307 ( 0.000 0.000 0.000) 0.000 24.514 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 24.710 0.000 0.000) 24.710 0.709 ( 37.985 0.000 0.000) 37.985 1.185 ( 55.789 0.000 0.000) 55.789 2.367 ( 7.690 0.000 0.000) 7.690 3.000 ( -3.065 0.000 0.000) 3.065 3.214 ( 2.981 0.000 0.000) 2.981 3.252 ( -1.757 0.000 0.000) 1.757 3.495 ( 0.201 0.000 0.000) 0.201 3.552 ( 6.749 0.000 0.000) 6.749 3.880 ( -8.332 0.000 0.000) 8.332 4.004 ( -7.918 0.000 0.000) 7.918 4.475 ( 2.866 0.000 0.000) 2.866 4.619 ( 9.804 0.000 0.000) 9.804 4.994 ( 7.074 0.000 0.000) 7.074 5.122 ( 1.704 0.000 0.000) 1.704 5.323 ( 2.933 0.000 0.000) 2.933 5.343 ( -2.913 0.000 0.000) 2.913 5.607 ( 0.966 0.000 0.000) 0.966 5.892 ( -3.216 0.000 0.000) 3.216 6.332 ( 7.630 0.000 0.000) 7.630 6.343 ( -10.750 0.000 0.000) 10.750 6.913 ( 8.698 0.000 0.000) 8.698 7.150 ( -3.589 0.000 0.000) 3.589 7.264 ( 8.398 0.000 0.000) 8.398 7.400 ( 3.369 0.000 0.000) 3.369 8.253 ( -4.431 0.000 0.000) 4.431 8.347 ( -2.110 0.000 0.000) 2.110 8.447 ( 2.041 0.000 0.000) 2.041 8.523 ( 2.492 0.000 0.000) 2.492 9.126 ( -8.909 0.000 0.000) 8.909 9.778 ( 4.082 0.000 0.000) 4.082 10.637 ( -0.928 0.000 0.000) 0.928 10.847 ( -14.522 0.000 0.000) 14.522 10.890 ( 1.085 0.000 0.000) 1.085 11.462 ( 11.316 0.000 0.000) 11.316 11.576 ( -3.278 0.000 0.000) 3.278 19.888 ( 5.728 0.000 0.000) 5.728 21.009 ( -3.891 0.000 0.000) 3.891 21.150 ( -2.197 0.000 0.000) 2.197 21.161 ( 1.409 0.000 0.000) 1.409 21.702 ( -7.662 0.000 0.000) 7.662 22.160 ( 7.448 0.000 0.000) 7.448 22.257 ( 10.927 0.000 0.000) 10.927 22.867 ( -13.981 0.000 0.000) 13.981 23.451 ( -0.341 0.000 0.000) 0.341 24.259 ( -4.951 0.000 0.000) 4.951 24.281 ( 8.195 0.000 0.000) 8.195 24.522 ( 0.891 0.000 0.000) 0.891 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 25.341 0.000 0.000) 25.341 1.420 ( 35.580 0.000 0.000) 35.580 2.008 ( 24.960 0.000 0.000) 24.960 2.672 ( 23.397 0.000 0.000) 23.397 2.892 ( -7.650 0.000 0.000) 7.650 3.240 ( -0.018 0.000 0.000) 0.018 3.266 ( 2.742 0.000 0.000) 2.742 3.394 ( -6.440 0.000 0.000) 6.440 3.702 ( 7.424 0.000 0.000) 7.424 3.833 ( -8.171 0.000 0.000) 8.171 3.891 ( 7.707 0.000 0.000) 7.707 4.526 ( 2.511 0.000 0.000) 2.511 4.797 ( 7.684 0.000 0.000) 7.684 5.087 ( 1.339 0.000 0.000) 1.339 5.183 ( 5.105 0.000 0.000) 5.105 5.236 ( -8.520 0.000 0.000) 8.520 5.442 ( 9.397 0.000 0.000) 9.397 5.590 ( -3.410 0.000 0.000) 3.410 5.883 ( 2.766 0.000 0.000) 2.766 6.101 ( -13.137 0.000 0.000) 13.137 6.573 ( 17.327 0.000 0.000) 17.327 7.092 ( 8.341 0.000 0.000) 8.341 7.094 ( -1.974 0.000 0.000) 1.974 7.441 ( 9.030 0.000 0.000) 9.030 7.463 ( 3.378 0.000 0.000) 3.378 8.147 ( -5.965 0.000 0.000) 5.965 8.307 ( -2.005 0.000 0.000) 2.005 8.490 ( 2.517 0.000 0.000) 2.517 8.581 ( 3.171 0.000 0.000) 3.171 8.887 ( -15.203 0.000 0.000) 15.203 9.877 ( 5.616 0.000 0.000) 5.616 10.556 ( -13.455 0.000 0.000) 13.455 10.623 ( -2.022 0.000 0.000) 2.022 10.899 ( -0.968 0.000 0.000) 0.968 11.513 ( -2.292 0.000 0.000) 2.292 11.645 ( 7.101 0.000 0.000) 7.101 20.038 ( 9.439 0.000 0.000) 9.439 20.905 ( -6.605 0.000 0.000) 6.605 21.105 ( -2.056 0.000 0.000) 2.056 21.192 ( 1.447 0.000 0.000) 1.447 21.578 ( -4.384 0.000 0.000) 4.384 22.357 ( 12.467 0.000 0.000) 12.467 22.479 ( 11.437 0.000 0.000) 11.437 22.550 ( -17.674 0.000 0.000) 17.674 23.426 ( -2.124 0.000 0.000) 2.124 24.116 ( -9.800 0.000 0.000) 9.800 24.452 ( 8.415 0.000 0.000) 8.415 24.550 ( 1.886 0.000 0.000) 1.886 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 25.452 0.000 0.000) 25.452 2.065 ( 30.104 0.000 0.000) 30.104 2.286 ( 9.501 0.000 0.000) 9.501 2.729 ( -8.800 0.000 0.000) 8.800 2.777 ( -13.151 0.000 0.000) 13.151 3.209 ( -4.323 0.000 0.000) 4.323 3.322 ( 1.614 0.000 0.000) 1.614 3.627 ( -9.072 0.000 0.000) 9.072 3.662 ( 31.752 0.000 0.000) 31.752 3.897 ( 8.506 0.000 0.000) 8.506 4.051 ( 7.030 0.000 0.000) 7.030 4.586 ( 3.873 0.000 0.000) 3.873 4.868 ( -0.508 0.000 0.000) 0.508 5.020 ( -13.216 0.000 0.000) 13.216 5.153 ( 6.589 0.000 0.000) 6.589 5.250 ( 1.796 0.000 0.000) 1.796 5.489 ( -6.544 0.000 0.000) 6.544 5.675 ( 13.846 0.000 0.000) 13.846 5.808 ( -12.869 0.000 0.000) 12.869 6.005 ( 4.195 0.000 0.000) 4.195 6.963 ( 18.533 0.000 0.000) 18.533 7.091 ( 5.118 0.000 0.000) 5.118 7.191 ( 1.176 0.000 0.000) 1.176 7.543 ( 5.057 0.000 0.000) 5.057 7.584 ( 5.150 0.000 0.000) 5.150 8.046 ( -4.059 0.000 0.000) 4.059 8.265 ( -2.429 0.000 0.000) 2.429 8.545 ( -16.677 0.000 0.000) 16.677 8.547 ( 3.377 0.000 0.000) 3.377 8.649 ( 0.714 0.000 0.000) 0.714 9.977 ( 4.453 0.000 0.000) 4.453 10.306 ( -11.374 0.000 0.000) 11.374 10.606 ( -0.092 0.000 0.000) 0.092 10.833 ( -5.678 0.000 0.000) 5.678 11.520 ( 3.184 0.000 0.000) 3.184 11.728 ( 1.410 0.000 0.000) 1.410 20.234 ( 10.362 0.000 0.000) 10.362 20.762 ( -7.981 0.000 0.000) 7.981 21.083 ( -0.121 0.000 0.000) 0.121 21.199 ( -1.090 0.000 0.000) 1.090 21.558 ( 2.698 0.000 0.000) 2.698 22.210 ( -16.938 0.000 0.000) 16.938 22.621 ( 13.828 0.000 0.000) 13.828 22.685 ( 9.531 0.000 0.000) 9.531 23.383 ( -1.692 0.000 0.000) 1.692 23.887 ( -13.574 0.000 0.000) 13.574 24.582 ( 4.848 0.000 0.000) 4.848 24.592 ( 2.315 0.000 0.000) 2.315 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 24.357 0.000 0.000) 24.357 2.365 ( -17.766 0.000 0.000) 17.766 2.412 ( 7.855 0.000 0.000) 7.855 2.564 ( -8.129 0.000 0.000) 8.129 2.680 ( 19.889 0.000 0.000) 19.889 3.038 ( -14.065 0.000 0.000) 14.065 3.368 ( 3.481 0.000 0.000) 3.481 3.467 ( -6.915 0.000 0.000) 6.915 4.045 ( 6.277 0.000 0.000) 6.277 4.111 ( 0.723 0.000 0.000) 0.723 4.253 ( 24.964 0.000 0.000) 24.964 4.616 ( -7.690 0.000 0.000) 7.690 4.787 ( -4.783 0.000 0.000) 4.783 4.825 ( -3.252 0.000 0.000) 3.252 5.253 ( 3.087 0.000 0.000) 3.087 5.347 ( 9.627 0.000 0.000) 9.627 5.352 ( -6.996 0.000 0.000) 6.996 5.560 ( -12.134 0.000 0.000) 12.134 5.927 ( 10.800 0.000 0.000) 10.800 6.048 ( -1.363 0.000 0.000) 1.363 7.069 ( 2.727 0.000 0.000) 2.727 7.146 ( -4.542 0.000 0.000) 4.542 7.454 ( 19.149 0.000 0.000) 19.149 7.623 ( -1.484 0.000 0.000) 1.484 7.669 ( 9.457 0.000 0.000) 9.457 7.937 ( -11.314 0.000 0.000) 11.314 8.219 ( -1.894 0.000 0.000) 1.894 8.252 ( -8.705 0.000 0.000) 8.705 8.614 ( 3.267 0.000 0.000) 3.267 8.658 ( -0.919 0.000 0.000) 0.919 10.049 ( 3.402 0.000 0.000) 3.402 10.134 ( -6.240 0.000 0.000) 6.240 10.628 ( 2.630 0.000 0.000) 2.630 10.712 ( -5.888 0.000 0.000) 5.888 11.613 ( 5.557 0.000 0.000) 5.557 11.705 ( -3.422 0.000 0.000) 3.422 20.427 ( 9.532 0.000 0.000) 9.532 20.602 ( -8.622 0.000 0.000) 8.622 21.103 ( 2.102 0.000 0.000) 2.102 21.155 ( -2.968 0.000 0.000) 2.968 21.679 ( 9.446 0.000 0.000) 9.446 21.908 ( -13.993 0.000 0.000) 13.993 22.832 ( 5.018 0.000 0.000) 5.018 22.833 ( 6.059 0.000 0.000) 6.059 23.406 ( 5.761 0.000 0.000) 5.761 23.613 ( -13.970 0.000 0.000) 13.970 24.631 ( 1.473 0.000 0.000) 1.473 24.638 ( 1.032 0.000 0.000) 1.032 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 21.033 0.000) 21.033 0.542 ( 0.000 25.181 0.000) 25.181 1.088 ( 0.000 51.084 0.000) 51.084 2.258 ( 0.000 2.581 0.000) 2.581 3.039 ( 0.000 2.601 0.000) 2.601 3.190 ( 0.000 -8.301 0.000) 8.301 3.241 ( 0.000 -2.414 0.000) 2.414 3.417 ( 0.000 12.967 0.000) 12.967 3.644 ( 0.000 7.333 0.000) 7.333 3.724 ( 0.000 10.338 0.000) 10.338 4.221 ( 0.000 -2.019 0.000) 2.019 4.467 ( 0.000 2.349 0.000) 2.349 4.511 ( 0.000 2.050 0.000) 2.050 4.944 ( 0.000 2.396 0.000) 2.396 4.989 ( 0.000 -8.146 0.000) 8.146 5.152 ( 0.000 -12.181 0.000) 12.181 5.595 ( 0.000 -0.151 0.000) 0.151 5.954 ( 0.000 1.009 0.000) 1.009 6.032 ( 0.000 -21.314 0.000) 21.314 6.292 ( 0.000 0.080 0.000) 0.080 6.446 ( 0.000 -2.678 0.000) 2.678 6.796 ( 0.000 -0.393 0.000) 0.393 6.828 ( 0.000 1.000 0.000) 1.000 7.151 ( 0.000 -2.723 0.000) 2.723 7.353 ( 0.000 10.484 0.000) 10.484 8.313 ( 0.000 1.144 0.000) 1.144 8.357 ( 0.000 -0.830 0.000) 0.830 8.430 ( 0.000 1.068 0.000) 1.068 8.495 ( 0.000 -0.427 0.000) 0.427 9.217 ( 0.000 0.271 0.000) 0.271 9.570 ( 0.000 0.539 0.000) 0.539 9.740 ( 0.000 0.341 0.000) 0.341 10.698 ( 0.000 -0.448 0.000) 0.448 11.048 ( 0.000 -0.397 0.000) 0.397 11.542 ( 0.000 -0.602 0.000) 0.602 11.599 ( 0.000 -0.399 0.000) 0.399 19.830 ( 0.000 -0.000 0.000) 0.000 20.999 ( 0.000 0.323 0.000) 0.323 21.118 ( 0.000 -1.890 0.000) 1.890 21.250 ( 0.000 2.297 0.000) 2.297 21.768 ( 0.000 -0.105 0.000) 0.105 22.085 ( 0.000 -0.008 0.000) 0.008 22.122 ( 0.000 0.165 0.000) 0.165 23.029 ( 0.000 0.666 0.000) 0.666 23.186 ( 0.000 0.622 0.000) 0.622 23.553 ( 0.000 0.003 0.000) 0.003 24.307 ( 0.000 -0.007 0.000) 0.007 24.983 ( 0.000 -0.351 0.000) 0.351 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 25.826 18.590 0.000) 31.821 0.974 ( 22.504 22.162 0.000) 31.585 1.435 ( 40.370 26.079 0.000) 48.060 2.383 ( 8.187 -0.087 0.000) 8.187 3.025 ( -2.021 3.167 0.000) 3.757 3.212 ( 1.169 0.137 0.000) 1.177 3.248 ( 3.171 -10.304 0.000) 10.781 3.437 ( 1.148 11.733 0.000) 11.789 3.671 ( -4.970 1.014 0.000) 5.073 3.797 ( 8.832 6.368 0.000) 10.889 4.073 ( -10.705 1.987 0.000) 10.888 4.508 ( 2.898 2.151 0.000) 3.609 4.590 ( 8.139 -0.256 0.000) 8.143 4.934 ( -0.063 -4.910 0.000) 4.910 5.047 ( 5.205 -3.157 0.000) 6.088 5.156 ( 0.503 -11.756 0.000) 11.767 5.459 ( -10.494 -2.957 0.000) 10.903 5.715 ( -7.520 2.903 0.000) 8.061 5.933 ( -0.620 3.878 0.000) 3.928 6.339 ( -0.854 0.831 0.000) 1.192 6.369 ( -0.349 1.548 0.000) 1.587 6.904 ( 7.811 -1.017 0.000) 7.877 7.154 ( 10.647 -11.256 0.000) 15.494 7.262 ( -3.590 7.876 0.000) 8.655 7.275 ( 10.646 -3.960 0.000) 11.359 8.264 ( -4.624 1.000 0.000) 4.731 8.334 ( -1.841 -0.891 0.000) 2.045 8.448 ( 1.535 0.266 0.000) 1.558 8.520 ( 2.364 -0.365 0.000) 2.392 9.129 ( -8.866 0.306 0.000) 8.872 9.749 ( 4.500 -3.237 0.000) 5.544 10.204 ( 30.907 -23.675 0.000) 38.933 10.681 ( -1.912 -1.142 0.000) 2.228 10.869 ( -13.488 -0.578 0.000) 13.500 11.557 ( -3.271 0.009 0.000) 3.271 11.641 ( 6.448 3.766 0.000) 7.467 19.881 ( 5.379 -0.345 0.000) 5.390 21.015 ( -2.498 0.335 0.000) 2.521 21.138 ( 2.062 -1.220 0.000) 2.396 21.228 ( -1.697 4.565 0.000) 4.871 21.675 ( -6.882 -1.587 0.000) 7.063 22.160 ( 7.423 -0.037 0.000) 7.423 22.255 ( 10.488 -0.183 0.000) 10.490 22.895 ( -12.878 2.064 0.000) 13.042 23.424 ( 4.512 -2.452 0.000) 5.135 23.770 ( 24.610 -15.629 0.000) 29.153 24.302 ( -0.913 -0.171 0.000) 0.929 24.765 ( -14.172 6.094 0.000) 15.427 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 15.834 19.289 0.000) 24.956 1.545 ( 33.217 11.254 0.000) 35.072 2.166 ( 24.380 14.650 0.000) 28.443 2.598 ( 15.438 -6.404 0.000) 16.713 2.961 ( -4.766 4.708 0.000) 6.699 3.236 ( 1.694 -0.927 0.000) 1.931 3.319 ( 2.652 0.890 0.000) 2.798 3.476 ( 2.281 7.449 0.000) 7.791 3.542 ( -1.342 -4.346 0.000) 4.549 3.868 ( -9.019 4.038 0.000) 9.882 3.999 ( 9.561 4.719 0.000) 10.663 4.551 ( 1.667 1.588 0.000) 2.302 4.781 ( 8.660 -1.370 0.000) 8.768 4.931 ( 0.140 -10.803 0.000) 10.804 5.139 ( 0.666 -4.371 0.000) 4.422 5.165 ( 1.469 -5.754 0.000) 5.938 5.394 ( 4.929 -4.700 0.000) 6.811 5.550 ( -9.294 -5.038 0.000) 10.571 5.998 ( 5.028 8.639 0.000) 9.996 6.147 ( -11.589 3.841 0.000) 12.209 6.585 ( 16.512 0.773 0.000) 16.530 7.076 ( 7.658 -0.900 0.000) 7.710 7.146 ( -1.449 2.551 0.000) 2.934 7.382 ( 8.504 -3.097 0.000) 9.051 7.458 ( 7.877 -1.216 0.000) 7.971 8.155 ( -6.233 0.706 0.000) 6.273 8.297 ( -1.911 -0.977 0.000) 2.146 8.482 ( 2.140 -0.551 0.000) 2.210 8.576 ( 3.116 -0.453 0.000) 3.149 8.892 ( -15.107 0.399 0.000) 15.112 9.851 ( 5.814 -2.628 0.000) 6.380 10.527 ( -4.498 -6.729 0.000) 8.094 10.567 ( -2.019 -3.345 0.000) 3.907 10.724 ( 0.768 -7.754 0.000) 7.792 11.486 ( -2.818 -1.148 0.000) 3.043 11.750 ( 4.092 5.477 0.000) 6.837 20.027 ( 9.227 -0.883 0.000) 9.269 20.913 ( -7.141 0.228 0.000) 7.145 21.152 ( -0.916 3.429 0.000) 3.549 21.218 ( 0.974 2.998 0.000) 3.152 21.564 ( -3.827 -1.360 0.000) 4.061 22.357 ( 12.516 -0.035 0.000) 12.516 22.443 ( 4.583 -1.959 0.000) 4.984 22.614 ( -11.053 4.349 0.000) 11.878 23.425 ( -1.895 -0.024 0.000) 1.895 24.082 ( -0.722 -3.453 0.000) 3.527 24.320 ( 8.507 -7.820 0.000) 11.555 24.598 ( -2.977 2.295 0.000) 3.759 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 19.849 8.266 0.000) 21.501 2.163 ( 29.317 9.069 0.000) 30.688 2.419 ( 8.246 11.907 0.000) 14.484 2.739 ( -2.034 0.421 0.000) 2.077 2.778 ( -15.055 0.517 0.000) 15.064 3.257 ( -1.274 1.435 0.000) 1.919 3.326 ( -0.913 3.662 0.000) 3.774 3.609 ( -0.080 -3.682 0.000) 3.683 3.691 ( 7.238 -9.125 0.000) 11.647 3.794 ( 19.221 9.937 0.000) 21.637 4.142 ( 3.239 2.643 0.000) 4.180 4.591 ( 2.923 0.396 0.000) 2.950 4.808 ( -3.364 -9.020 0.000) 9.627 4.914 ( -6.088 -4.208 0.000) 7.401 5.161 ( 4.309 -4.131 0.000) 5.969 5.203 ( 1.947 -0.710 0.000) 2.072 5.398 ( -3.750 -7.699 0.000) 8.563 5.612 ( 14.176 -4.153 0.000) 14.772 5.889 ( -12.663 5.707 0.000) 13.889 6.097 ( 2.203 7.682 0.000) 7.992 6.961 ( 18.973 -0.055 0.000) 18.973 7.123 ( 4.543 2.370 0.000) 5.124 7.211 ( 2.402 1.231 0.000) 2.699 7.529 ( 6.811 -0.689 0.000) 6.846 7.581 ( 4.616 -0.441 0.000) 4.637 8.048 ( -4.298 0.213 0.000) 4.303 8.257 ( -2.258 -0.801 0.000) 2.396 8.523 ( -3.917 -1.179 0.000) 4.091 8.556 ( -8.710 -0.039 0.000) 8.710 8.649 ( -0.116 0.064 0.000) 0.132 9.958 ( 4.971 -1.883 0.000) 5.316 10.301 ( -11.101 -0.394 0.000) 11.108 10.578 ( -0.373 -2.510 0.000) 2.537 10.732 ( -2.337 -7.795 0.000) 8.138 11.491 ( 3.689 -1.784 0.000) 4.098 11.784 ( -0.683 3.744 0.000) 3.806 20.219 ( 10.250 -1.203 0.000) 10.321 20.759 ( -8.526 -0.438 0.000) 8.537 21.136 ( -0.250 4.626 0.000) 4.633 21.228 ( -0.718 2.583 0.000) 2.681 21.552 ( 3.109 -0.624 0.000) 3.171 22.219 ( -16.626 0.764 0.000) 16.643 22.622 ( 13.937 0.046 0.000) 13.937 22.698 ( 8.845 1.212 0.000) 8.927 23.384 ( -1.694 0.105 0.000) 1.697 23.894 ( -13.763 0.638 0.000) 13.778 24.514 ( 7.976 -5.800 0.000) 9.862 24.597 ( 1.519 0.377 0.000) 1.565 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 21.959 1.685 0.000) 22.023 2.368 ( -18.413 -0.254 0.000) 18.414 2.532 ( 5.551 10.961 0.000) 12.286 2.649 ( -5.629 7.751 0.000) 9.579 2.752 ( 21.546 7.156 0.000) 22.703 3.111 ( -13.705 6.777 0.000) 15.289 3.362 ( 4.200 -0.318 0.000) 4.212 3.477 ( -7.574 0.704 0.000) 7.607 3.885 ( 11.527 -12.060 0.000) 16.683 4.088 ( -8.143 -5.030 0.000) 9.571 4.269 ( 22.332 2.149 0.000) 22.435 4.596 ( -9.209 -2.347 0.000) 9.503 4.730 ( 0.525 -5.822 0.000) 5.845 4.798 ( -4.346 -2.047 0.000) 4.804 5.183 ( 1.952 -5.476 0.000) 5.813 5.240 ( -1.968 -3.531 0.000) 4.042 5.449 ( 8.353 1.794 0.000) 8.543 5.648 ( -11.671 5.477 0.000) 12.892 5.892 ( 13.065 -1.270 0.000) 13.127 6.074 ( -5.234 3.697 0.000) 6.408 7.106 ( 3.556 2.967 0.000) 4.631 7.186 ( -4.008 3.068 0.000) 5.047 7.448 ( 18.189 -0.597 0.000) 18.198 7.607 ( -0.859 -1.318 0.000) 1.573 7.682 ( 9.283 1.099 0.000) 9.347 7.940 ( -10.807 0.248 0.000) 10.810 8.214 ( -1.745 -0.484 0.000) 1.810 8.251 ( -8.949 -0.064 0.000) 8.949 8.604 ( 3.451 -0.979 0.000) 3.587 8.653 ( -1.175 -0.490 0.000) 1.273 10.041 ( 3.874 -0.790 0.000) 3.954 10.132 ( -6.290 -0.216 0.000) 6.294 10.587 ( 1.744 -3.576 0.000) 3.979 10.651 ( -4.641 -5.084 0.000) 6.884 11.604 ( 6.939 -0.593 0.000) 6.964 11.726 ( -5.076 1.494 0.000) 5.291 20.412 ( 9.613 -1.258 0.000) 9.695 20.590 ( -8.929 -0.992 0.000) 8.984 21.149 ( 1.628 4.032 0.000) 4.349 21.192 ( -2.486 3.171 0.000) 4.029 21.681 ( 9.826 0.164 0.000) 9.827 21.916 ( -14.218 0.721 0.000) 14.236 22.836 ( 6.052 0.341 0.000) 6.062 22.839 ( 5.025 0.593 0.000) 5.060 23.407 ( 5.720 0.035 0.000) 5.721 23.614 ( -14.162 0.146 0.000) 14.163 24.612 ( 2.515 -2.232 0.000) 3.363 24.625 ( 0.814 -0.544 0.000) 0.979 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 15.371 0.000) 15.371 0.997 ( 0.000 17.882 0.000) 17.882 2.029 ( 0.000 37.802 0.000) 37.802 2.234 ( 0.000 -4.508 0.000) 4.508 2.910 ( 0.000 -12.686 0.000) 12.686 3.154 ( 0.000 6.931 0.000) 6.931 3.332 ( 0.000 6.209 0.000) 6.209 3.773 ( 0.000 20.319 0.000) 20.319 3.852 ( 0.000 12.597 0.000) 12.597 3.890 ( 0.000 4.652 0.000) 4.652 4.157 ( 0.000 -4.286 0.000) 4.286 4.477 ( 0.000 -4.436 0.000) 4.436 4.555 ( 0.000 1.889 0.000) 1.889 4.786 ( 0.000 -8.821 0.000) 8.821 4.847 ( 0.000 -16.029 0.000) 16.029 4.958 ( 0.000 -2.425 0.000) 2.425 5.584 ( 0.000 -0.691 0.000) 0.691 5.600 ( 0.000 -16.213 0.000) 16.213 5.961 ( 0.000 -0.303 0.000) 0.303 6.304 ( 0.000 0.994 0.000) 0.994 6.387 ( 0.000 -2.807 0.000) 2.807 6.790 ( 0.000 -0.144 0.000) 0.144 6.851 ( 0.000 1.044 0.000) 1.044 7.085 ( 0.000 -3.129 0.000) 3.129 7.535 ( 0.000 6.344 0.000) 6.344 8.332 ( 0.000 -0.122 0.000) 0.122 8.345 ( 0.000 0.416 0.000) 0.416 8.454 ( 0.000 1.076 0.000) 1.076 8.485 ( 0.000 -0.470 0.000) 0.470 9.224 ( 0.000 0.308 0.000) 0.308 9.582 ( 0.000 0.518 0.000) 0.518 9.748 ( 0.000 0.368 0.000) 0.368 10.688 ( 0.000 -0.460 0.000) 0.460 11.039 ( 0.000 -0.392 0.000) 0.392 11.529 ( 0.000 -0.593 0.000) 0.593 11.590 ( 0.000 -0.400 0.000) 0.400 19.830 ( 0.000 -0.000 0.000) 0.000 21.008 ( 0.000 0.521 0.000) 0.521 21.083 ( 0.000 -1.427 0.000) 1.427 21.293 ( 0.000 1.628 0.000) 1.628 21.765 ( 0.000 -0.098 0.000) 0.098 22.085 ( 0.000 -0.008 0.000) 0.008 22.126 ( 0.000 0.169 0.000) 0.169 23.043 ( 0.000 0.574 0.000) 0.574 23.201 ( 0.000 0.715 0.000) 0.715 23.553 ( 0.000 0.003 0.000) 0.003 24.307 ( 0.000 -0.006 0.000) 0.006 24.975 ( 0.000 -0.360 0.000) 0.360 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 24.101 16.010 0.000) 28.934 1.341 ( 31.263 14.472 0.000) 34.450 2.008 ( 4.889 15.539 0.000) 16.290 2.377 ( 10.242 6.712 0.000) 12.245 2.957 ( 4.577 -12.665 0.000) 13.467 3.145 ( -1.347 5.736 0.000) 5.892 3.288 ( -3.157 5.429 0.000) 6.280 3.761 ( -3.874 15.530 0.000) 16.006 3.819 ( -1.928 14.266 0.000) 14.396 3.932 ( 4.671 4.563 0.000) 6.530 4.089 ( -6.278 -0.310 0.000) 6.286 4.500 ( 2.379 -5.905 0.000) 6.366 4.603 ( 4.763 0.711 0.000) 4.816 4.770 ( -2.050 -7.986 0.000) 8.245 4.860 ( 2.338 -14.900 0.000) 15.082 5.021 ( 6.831 -1.800 0.000) 7.064 5.319 ( -11.084 -7.699 0.000) 13.496 5.689 ( -8.694 -2.458 0.000) 9.035 5.970 ( 7.687 0.019 0.000) 7.687 6.362 ( 1.215 1.313 0.000) 1.789 6.391 ( 2.355 0.599 0.000) 2.430 6.871 ( 5.159 -1.933 0.000) 5.509 6.953 ( 12.108 -6.164 0.000) 13.586 7.216 ( 10.587 -2.102 0.000) 10.794 7.438 ( -6.480 6.873 0.000) 9.446 8.287 ( -4.589 1.001 0.000) 4.697 8.316 ( -2.239 -0.788 0.000) 2.374 8.461 ( 0.585 0.958 0.000) 1.123 8.508 ( 2.280 -0.708 0.000) 2.388 9.136 ( -8.820 0.313 0.000) 8.825 9.665 ( 5.199 -3.432 0.000) 6.230 9.982 ( 20.996 -3.090 0.000) 21.223 10.666 ( -2.424 -0.523 0.000) 2.480 10.856 ( -14.000 -0.560 0.000) 14.011 11.550 ( -3.805 -0.409 0.000) 3.826 11.673 ( 9.997 0.356 0.000) 10.003 19.876 ( 4.828 -0.145 0.000) 4.830 21.021 ( -3.176 0.300 0.000) 3.190 21.113 ( 5.041 -1.056 0.000) 5.150 21.304 ( 0.990 2.640 0.000) 2.819 21.653 ( -8.252 -0.557 0.000) 8.270 22.158 ( 7.370 -0.061 0.000) 7.371 22.251 ( 9.837 -0.121 0.000) 9.837 22.933 ( -10.799 1.430 0.000) 10.894 23.377 ( 10.263 -1.562 0.000) 10.382 23.618 ( 11.380 -2.663 0.000) 11.688 24.298 ( -1.530 -0.237 0.000) 1.549 24.826 ( -12.453 1.203 0.000) 12.511 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 6.480 17.521 0.000) 18.681 1.815 ( 28.911 12.701 0.000) 31.578 2.389 ( 25.419 -8.055 0.000) 26.665 2.562 ( 9.398 15.241 0.000) 17.906 3.030 ( -4.545 -0.268 0.000) 4.552 3.116 ( 4.629 -10.814 0.000) 11.763 3.246 ( -0.861 2.614 0.000) 2.752 3.645 ( -6.755 10.842 0.000) 12.774 3.802 ( 0.885 16.247 0.000) 16.271 3.951 ( -6.150 4.940 0.000) 7.888 4.059 ( 7.102 1.811 0.000) 7.329 4.531 ( 0.482 -7.046 0.000) 7.063 4.667 ( -2.239 -6.659 0.000) 7.025 4.804 ( 8.714 -2.016 0.000) 8.944 4.943 ( 5.957 -11.999 0.000) 13.396 5.106 ( -3.007 -2.442 0.000) 3.874 5.288 ( 11.605 -3.099 0.000) 12.011 5.426 ( -14.793 -5.659 0.000) 15.839 6.156 ( 8.101 6.133 0.000) 10.160 6.227 ( -9.661 3.260 0.000) 10.196 6.600 ( 15.666 0.797 0.000) 15.686 7.036 ( 9.704 -2.691 0.000) 10.070 7.114 ( 3.652 -4.636 0.000) 5.901 7.398 ( 6.098 2.552 0.000) 6.610 7.433 ( 8.220 -0.002 0.000) 8.220 8.172 ( -6.684 0.879 0.000) 6.741 8.272 ( -2.135 -1.197 0.000) 2.448 8.475 ( 1.010 -0.071 0.000) 1.013 8.564 ( 3.075 -0.639 0.000) 3.141 8.900 ( -14.970 0.349 0.000) 14.974 9.777 ( 6.406 -3.740 0.000) 7.418 10.354 ( 14.327 -5.311 0.000) 15.280 10.543 ( -11.425 -0.660 0.000) 11.444 10.650 ( -4.773 -1.656 0.000) 5.052 11.469 ( -3.495 -0.614 0.000) 3.549 11.820 ( 4.541 1.731 0.000) 4.860 20.011 ( 8.707 -0.580 0.000) 8.726 20.910 ( -7.587 -0.314 0.000) 7.594 21.196 ( 2.899 1.041 0.000) 3.081 21.319 ( 0.196 5.564 0.000) 5.568 21.525 ( -4.002 -2.375 0.000) 4.654 22.356 ( 12.620 -0.060 0.000) 12.620 22.414 ( 3.217 -0.893 0.000) 3.339 22.694 ( -9.638 2.967 0.000) 10.084 23.425 ( -1.462 0.018 0.000) 1.462 23.992 ( 18.085 -4.113 0.000) 18.547 24.213 ( -5.868 -2.754 0.000) 6.482 24.634 ( -5.152 1.251 0.000) 5.302 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 9.300 6.961 0.000) 11.616 2.397 ( 27.964 12.049 0.000) 30.450 2.645 ( 3.592 4.090 0.000) 5.443 2.783 ( 7.543 7.839 0.000) 10.879 2.805 ( -11.377 1.853 0.000) 11.527 3.252 ( 2.876 -0.311 0.000) 2.893 3.309 ( 11.400 -13.834 0.000) 17.926 3.512 ( -7.486 8.742 0.000) 11.510 3.703 ( -9.745 2.061 0.000) 9.961 4.056 ( 14.297 14.391 0.000) 20.286 4.128 ( -2.398 -2.624 0.000) 3.555 4.523 ( -0.767 -12.361 0.000) 12.385 4.613 ( -1.887 -1.608 0.000) 2.479 4.898 ( -2.811 1.457 0.000) 3.166 5.056 ( 0.390 -4.773 0.000) 4.789 5.102 ( 6.498 -9.412 0.000) 11.437 5.221 ( -0.560 -9.183 0.000) 9.200 5.595 ( 17.816 3.090 0.000) 18.082 5.994 ( -12.872 3.807 0.000) 13.423 6.268 ( 1.489 7.702 0.000) 7.845 6.964 ( 19.654 0.350 0.000) 19.657 7.146 ( 4.890 -0.394 0.000) 4.906 7.213 ( 5.381 -1.195 0.000) 5.512 7.534 ( 5.860 0.779 0.000) 5.912 7.572 ( 6.002 0.024 0.000) 6.002 8.055 ( -4.906 0.357 0.000) 4.919 8.234 ( -1.939 -1.290 0.000) 2.329 8.503 ( -0.223 -0.692 0.000) 0.727 8.546 ( -11.177 -0.783 0.000) 11.204 8.652 ( -2.034 0.130 0.000) 2.038 9.904 ( 6.439 -2.888 0.000) 7.057 10.297 ( -10.668 0.132 0.000) 10.669 10.521 ( 0.942 -2.439 0.000) 2.614 10.595 ( -1.660 -4.722 0.000) 5.006 11.464 ( 3.765 -0.862 0.000) 3.863 11.843 ( -2.052 1.818 0.000) 2.742 20.195 ( 9.998 -0.916 0.000) 10.040 20.746 ( -9.038 -0.622 0.000) 9.059 21.226 ( 0.528 3.002 0.000) 3.049 21.303 ( -1.795 4.629 0.000) 4.964 21.529 ( 4.605 -1.657 0.000) 4.894 22.235 ( -15.823 0.655 0.000) 15.837 22.623 ( 14.180 0.079 0.000) 14.180 22.726 ( 7.450 1.278 0.000) 7.559 23.386 ( -1.716 0.120 0.000) 1.720 23.911 ( -14.682 0.875 0.000) 14.708 24.388 ( 12.946 -5.335 0.000) 14.002 24.606 ( 0.573 0.407 0.000) 0.703 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 17.211 0.413 0.000) 17.216 2.348 ( -19.785 -1.399 0.000) 19.835 2.793 ( 4.290 11.893 0.000) 12.643 2.845 ( -0.308 10.129 0.000) 10.134 2.956 ( 21.992 11.951 0.000) 25.029 3.281 ( -7.763 7.936 0.000) 11.102 3.373 ( 0.267 1.777 0.000) 1.797 3.482 ( -5.001 -0.767 0.000) 5.059 3.609 ( 12.149 -13.147 0.000) 17.901 3.924 ( -16.174 -9.635 0.000) 18.826 4.339 ( 12.281 3.437 0.000) 12.753 4.499 ( -4.161 -6.085 0.000) 7.371 4.618 ( 4.219 -3.006 0.000) 5.180 4.762 ( -9.029 -1.029 0.000) 9.087 5.075 ( 2.714 -5.350 0.000) 5.999 5.123 ( -1.342 -7.845 0.000) 7.959 5.434 ( 14.966 -1.783 0.000) 15.072 5.721 ( -14.164 2.470 0.000) 14.377 5.947 ( 16.445 5.232 0.000) 17.257 6.200 ( -8.656 6.961 0.000) 11.107 7.158 ( 4.757 1.706 0.000) 5.054 7.238 ( -2.571 1.495 0.000) 2.975 7.433 ( 17.010 -0.728 0.000) 17.025 7.580 ( -0.706 -1.110 0.000) 1.316 7.705 ( 8.981 0.915 0.000) 9.027 7.944 ( -10.114 0.057 0.000) 10.115 8.200 ( -1.144 -0.779 0.000) 1.384 8.250 ( -9.539 0.015 0.000) 9.539 8.578 ( 3.942 -1.351 0.000) 4.167 8.641 ( -1.872 -0.641 0.000) 1.979 10.018 ( 5.436 -1.218 0.000) 5.571 10.129 ( -6.690 -0.042 0.000) 6.690 10.511 ( 0.047 -2.995 0.000) 2.996 10.545 ( -3.114 -4.428 0.000) 5.414 11.595 ( 8.541 -0.277 0.000) 8.545 11.752 ( -6.961 0.893 0.000) 7.018 20.387 ( 9.688 -1.006 0.000) 9.740 20.569 ( -9.274 -0.879 0.000) 9.315 21.235 ( 0.825 3.480 0.000) 3.577 21.263 ( -1.979 3.237 0.000) 3.794 21.683 ( 10.843 0.026 0.000) 10.843 21.933 ( -14.659 0.715 0.000) 14.676 22.844 ( 6.615 0.385 0.000) 6.626 22.853 ( 4.473 0.657 0.000) 4.521 23.407 ( 5.626 0.030 0.000) 5.626 23.617 ( -14.564 0.139 0.000) 14.565 24.562 ( 5.332 -2.116 0.000) 5.736 24.613 ( -0.515 -0.491 0.000) 0.712 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 -0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 -0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 -0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 -0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 10.683 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 19.830 ( 0.000 0.000 0.000) 0.000 21.015 ( 0.000 0.000 0.000) 0.000 21.066 ( 0.000 0.000 0.000) 0.000 21.311 ( 0.000 0.000 0.000) 0.000 21.764 ( 0.000 0.000 0.000) 0.000 22.085 ( 0.000 0.000 0.000) 0.000 22.128 ( 0.000 0.000 0.000) 0.000 23.049 ( 0.000 0.000 0.000) 0.000 23.210 ( 0.000 0.000 0.000) 0.000 23.553 ( 0.000 0.000 0.000) 0.000 24.307 ( 0.000 0.000 0.000) 0.000 24.971 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 29 (17/120) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 23.615 -0.000 0.000) 23.615 1.521 ( 38.129 -0.000 0.000) 38.129 2.029 ( -10.613 0.000 0.000) 10.613 2.577 ( 8.958 -0.000 0.000) 8.958 2.806 ( 4.473 0.000 0.000) 4.473 3.207 ( -3.480 0.000 0.000) 3.480 3.389 ( -3.955 0.000 0.000) 3.955 3.875 ( -3.641 0.000 0.000) 3.641 4.001 ( -2.790 0.000 0.000) 2.790 4.090 ( -2.578 0.000 0.000) 2.578 4.215 ( 1.551 -0.000 0.000) 1.551 4.220 ( 3.230 0.000 0.000) 3.230 4.605 ( -1.652 -0.000 0.000) 1.652 4.616 ( 3.830 0.000 0.000) 3.830 4.731 ( 2.372 0.000 0.000) 2.372 4.989 ( 10.264 0.000 0.000) 10.264 5.239 ( -10.808 0.000 0.000) 10.808 5.660 ( -9.864 0.000 0.000) 9.864 5.968 ( 11.773 -0.000 0.000) 11.773 6.382 ( -1.128 -0.000 0.000) 1.128 6.394 ( 7.289 0.000 0.000) 7.289 6.846 ( 3.186 0.000 0.000) 3.186 6.893 ( 9.041 -0.000 0.000) 9.041 7.194 ( 11.042 0.000 0.000) 11.042 7.511 ( -6.454 0.000 0.000) 6.454 8.302 ( -4.892 0.000 0.000) 4.892 8.303 ( -2.071 -0.000 0.000) 2.071 8.476 ( -0.169 0.000 0.000) 0.169 8.497 ( 2.619 -0.000 0.000) 2.619 9.140 ( -8.822 0.000 0.000) 8.822 9.631 ( 4.006 0.000 0.000) 4.006 9.959 ( 18.057 0.000 0.000) 18.057 10.660 ( -2.490 0.000 0.000) 2.490 10.850 ( -14.179 0.000 0.000) 14.179 11.545 ( -3.865 0.000 0.000) 3.865 11.675 ( 10.771 0.000 0.000) 10.771 19.875 ( 4.645 0.000 0.000) 4.645 21.025 ( -4.239 -0.000 0.000) 4.239 21.101 ( 6.640 0.000 0.000) 6.640 21.331 ( 2.253 0.000 0.000) 2.253 21.648 ( -8.959 0.000 0.000) 8.959 22.158 ( 7.333 0.000 0.000) 7.333 22.250 ( 9.571 0.000 0.000) 9.571 22.948 ( -9.943 0.000 0.000) 9.943 23.362 ( 10.682 0.000 0.000) 10.682 23.595 ( 7.859 0.000 0.000) 7.859 24.295 ( -1.841 0.000 0.000) 1.841 24.836 ( -11.617 0.000 0.000) 11.617 ======================= Grid point 31 (18/120) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -7.387 -0.000 0.000) 7.387 1.949 ( 31.017 -0.000 0.000) 31.017 2.248 ( 32.193 -0.000 0.000) 32.193 2.753 ( 8.892 -0.000 0.000) 8.892 2.925 ( 7.470 0.000 0.000) 7.470 3.072 ( -11.129 0.000 0.000) 11.129 3.318 ( -2.822 0.000 0.000) 2.822 3.765 ( -7.094 0.000 0.000) 7.094 3.923 ( -7.978 0.000 0.000) 7.978 4.043 ( 2.383 0.000 0.000) 2.383 4.257 ( -0.970 -0.000 0.000) 0.970 4.308 ( 6.848 0.000 0.000) 6.848 4.570 ( -1.323 -0.000 0.000) 1.323 4.739 ( 9.762 0.000 0.000) 9.762 4.826 ( 7.234 0.000 0.000) 7.234 5.071 ( -7.170 0.000 0.000) 7.170 5.277 ( 18.145 -0.000 0.000) 18.145 5.358 ( -17.414 0.000 0.000) 17.414 6.226 ( 9.925 -0.000 0.000) 9.925 6.263 ( -8.567 -0.000 0.000) 8.567 6.611 ( 15.354 0.000 0.000) 15.354 7.001 ( 10.652 0.000 0.000) 10.652 7.051 ( 5.662 -0.000 0.000) 5.662 7.404 ( 9.773 0.000 0.000) 9.773 7.462 ( 2.793 0.000 0.000) 2.793 8.183 ( -6.948 0.000 0.000) 6.948 8.258 ( -2.331 0.000 0.000) 2.331 8.476 ( 0.287 0.000 0.000) 0.287 8.556 ( 3.126 -0.000 0.000) 3.126 8.904 ( -14.928 0.000 0.000) 14.928 9.734 ( 6.453 0.000 0.000) 6.453 10.308 ( 15.453 0.000 0.000) 15.453 10.535 ( -12.174 0.000 0.000) 12.174 10.633 ( -5.631 0.000 0.000) 5.631 11.462 ( -3.639 0.000 0.000) 3.639 11.836 ( 5.022 0.000 0.000) 5.022 20.005 ( 8.460 0.000 0.000) 8.460 20.907 ( -7.776 -0.000 0.000) 7.776 21.206 ( 3.849 0.000 0.000) 3.849 21.395 ( 4.142 -0.000 0.000) 4.142 21.484 ( -7.394 0.000 0.000) 7.394 22.355 ( 12.668 0.000 0.000) 12.668 22.405 ( 3.027 0.000 0.000) 3.027 22.726 ( -9.264 0.000 0.000) 9.264 23.426 ( -1.263 0.000 0.000) 1.263 23.947 ( 22.743 0.000 0.000) 22.743 24.187 ( -10.366 0.000 0.000) 10.366 24.648 ( -5.547 0.000 0.000) 5.547 ======================= Grid point 33 (19/120) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 3.600 -0.000 0.000) 3.600 2.537 ( 21.932 -0.000 0.000) 21.932 2.686 ( 11.581 -0.000 0.000) 11.581 2.832 ( -3.828 0.000 0.000) 3.828 2.907 ( 6.462 -0.000 0.000) 6.462 3.083 ( 8.801 0.000 0.000) 8.801 3.293 ( 0.517 0.000 0.000) 0.517 3.625 ( -7.171 -0.000 0.000) 7.171 3.723 ( -11.553 0.000 0.000) 11.553 4.133 ( -12.376 0.000 0.000) 12.376 4.168 ( 8.660 -0.000 0.000) 8.660 4.445 ( 7.267 0.000 0.000) 7.267 4.555 ( -1.500 -0.000 0.000) 1.500 4.927 ( -8.725 -0.000 0.000) 8.725 4.934 ( 6.576 0.000 0.000) 6.576 5.048 ( 17.664 -0.000 0.000) 17.664 5.080 ( -9.030 0.000 0.000) 9.030 5.646 ( 19.565 0.000 0.000) 19.565 6.033 ( -13.226 -0.000 0.000) 13.226 6.358 ( 1.714 0.000 0.000) 1.714 6.970 ( 19.778 0.000 0.000) 19.778 7.135 ( 5.683 -0.000 0.000) 5.683 7.189 ( 7.455 -0.000 0.000) 7.455 7.541 ( 3.939 0.000 0.000) 3.939 7.579 ( 7.246 0.000 0.000) 7.246 8.059 ( -5.275 0.000 0.000) 5.275 8.217 ( -1.831 0.000 0.000) 1.831 8.497 ( 2.127 0.000 0.000) 2.127 8.535 ( -13.131 0.000 0.000) 13.131 8.653 ( -2.968 0.000 0.000) 2.968 9.869 ( 7.232 0.000 0.000) 7.232 10.301 ( -10.876 0.000 0.000) 10.876 10.496 ( 3.620 0.000 0.000) 3.620 10.545 ( -4.152 -0.000 0.000) 4.152 11.455 ( 3.795 0.000 0.000) 3.795 11.861 ( -2.283 0.000 0.000) 2.283 20.185 ( 9.871 -0.000 0.000) 9.871 20.739 ( -9.192 0.000 0.000) 9.192 21.254 ( 1.372 0.000 0.000) 1.372 21.368 ( -4.665 -0.000 0.000) 4.665 21.501 ( 7.280 0.000 0.000) 7.280 22.242 ( -15.360 0.000 0.000) 15.360 22.624 ( 14.315 0.000 0.000) 14.315 22.741 ( 6.762 0.000 0.000) 6.762 23.388 ( -1.736 0.000 0.000) 1.736 23.922 ( -15.675 0.000 0.000) 15.675 24.329 ( 15.493 0.000 0.000) 15.493 24.610 ( 0.118 0.000 0.000) 0.118 ======================= Grid point 35 (20/120) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 14.922 0.000 0.000) 14.922 2.330 ( -19.851 0.000 0.000) 19.851 2.921 ( 6.358 0.000 0.000) 6.358 2.977 ( 0.389 -0.000 0.000) 0.389 3.213 ( 25.855 -0.000 0.000) 25.855 3.261 ( 9.309 0.000 0.000) 9.309 3.350 ( 5.483 0.000 0.000) 5.483 3.494 ( -4.803 -0.000 0.000) 4.803 3.503 ( -10.407 0.000 0.000) 10.407 3.784 ( -22.886 0.000 0.000) 22.886 4.333 ( 7.981 0.000 0.000) 7.981 4.474 ( -6.434 -0.000 0.000) 6.434 4.595 ( 8.287 0.000 0.000) 8.287 4.757 ( -8.361 -0.000 0.000) 8.361 5.004 ( 1.095 0.000 0.000) 1.095 5.006 ( -0.383 -0.000 0.000) 0.383 5.416 ( 18.827 0.000 0.000) 18.827 5.752 ( -15.912 -0.000 0.000) 15.912 6.014 ( 17.660 0.000 0.000) 17.660 6.285 ( -9.368 0.000 0.000) 9.368 7.175 ( 5.205 0.000 0.000) 5.205 7.249 ( -1.392 -0.000 0.000) 1.392 7.424 ( 16.782 0.000 0.000) 16.782 7.568 ( -0.840 0.000 0.000) 0.840 7.714 ( 8.422 0.000 0.000) 8.422 7.944 ( -9.983 0.000 0.000) 9.983 8.190 ( -0.631 0.000 0.000) 0.631 8.251 ( -9.904 0.000 0.000) 9.904 8.562 ( 4.262 0.000 0.000) 4.262 8.633 ( -2.318 0.000 0.000) 2.318 10.003 ( 6.525 0.000 0.000) 6.525 10.129 ( -7.096 0.000 0.000) 7.096 10.484 ( -1.598 0.000 0.000) 1.598 10.492 ( -1.893 -0.000 0.000) 1.893 11.592 ( 9.090 0.000 0.000) 9.090 11.761 ( -7.562 0.000 0.000) 7.562 20.376 ( 9.701 0.000 0.000) 9.701 20.559 ( -9.379 0.000 0.000) 9.379 21.272 ( 0.876 0.000 0.000) 0.876 21.301 ( -2.372 -0.000 0.000) 2.372 21.683 ( 11.556 0.000 0.000) 11.556 21.941 ( -14.873 0.000 0.000) 14.873 22.849 ( 6.830 0.000 0.000) 6.830 22.861 ( 4.272 0.000 0.000) 4.272 23.408 ( 5.572 0.000 0.000) 5.572 23.619 ( -14.775 0.000 0.000) 14.775 24.539 ( 6.658 0.000 0.000) 6.658 24.608 ( -1.167 0.000 0.000) 1.167 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 0.000 29.872) 29.872 0.699 ( 0.000 0.000 35.398) 35.398 1.356 ( 0.000 0.000 69.955) 69.955 2.308 ( 0.000 0.000 10.287) 10.287 2.984 ( 0.000 0.000 -1.998) 1.998 3.152 ( 0.000 0.000 -2.688) 2.688 3.419 ( 0.000 0.000 11.420) 11.420 3.465 ( 0.000 0.000 -1.247) 1.247 3.531 ( 0.000 0.000 2.204) 2.204 3.610 ( 0.000 0.000 4.752) 4.752 4.165 ( 0.000 0.000 7.038) 7.038 4.418 ( 0.000 0.000 -1.942) 1.942 4.520 ( 0.000 0.000 2.438) 2.438 4.918 ( 0.000 0.000 -11.025) 11.025 4.934 ( 0.000 0.000 2.226) 2.226 5.366 ( 0.000 0.000 -0.081) 0.081 5.455 ( 0.000 0.000 11.688) 11.688 5.558 ( 0.000 0.000 -4.660) 4.660 5.864 ( 0.000 0.000 -5.847) 5.847 6.226 ( 0.000 0.000 -4.728) 4.728 6.338 ( 0.000 0.000 -12.329) 12.329 6.764 ( 0.000 0.000 -5.624) 5.624 6.862 ( 0.000 0.000 5.775) 5.775 7.150 ( 0.000 0.000 -2.173) 2.173 7.270 ( 0.000 0.000 7.040) 7.040 8.286 ( 0.000 0.000 -0.931) 0.931 8.339 ( 0.000 0.000 -2.727) 2.727 8.449 ( 0.000 0.000 -4.283) 4.283 8.816 ( 0.000 0.000 -2.257) 2.257 9.308 ( 0.000 0.000 9.425) 9.425 9.510 ( 0.000 0.000 -5.667) 5.667 10.757 ( 0.000 0.000 9.955) 9.955 11.061 ( 0.000 0.000 0.378) 0.378 11.157 ( 0.000 0.000 10.308) 10.308 11.293 ( 0.000 0.000 1.206) 1.206 11.559 ( 0.000 0.000 -4.594) 4.594 21.007 ( 0.000 0.000 1.180) 1.180 21.031 ( 0.000 0.000 -1.723) 1.723 21.143 ( 0.000 0.000 -0.272) 0.272 21.236 ( 0.000 0.000 1.946) 1.946 21.603 ( 0.000 0.000 -1.404) 1.404 21.755 ( 0.000 0.000 -5.299) 5.299 22.029 ( 0.000 0.000 -9.196) 9.196 22.819 ( 0.000 0.000 -14.743) 14.743 23.573 ( 0.000 0.000 2.050) 2.050 23.794 ( 0.000 0.000 9.619) 9.619 24.320 ( 0.000 0.000 1.169) 1.169 24.508 ( 0.000 0.000 -0.695) 0.695 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 17.222 0.000 23.857) 29.424 1.073 ( 24.638 0.000 27.831) 37.170 1.688 ( 34.136 0.000 47.306) 58.336 2.427 ( 9.722 0.000 7.914) 12.536 2.964 ( -2.535 0.000 -1.804) 3.112 3.180 ( 2.622 0.000 -3.202) 4.139 3.365 ( -2.625 0.000 8.331) 8.735 3.507 ( -0.555 0.000 2.048) 2.121 3.542 ( 5.195 0.000 0.305) 5.204 3.811 ( 6.078 0.000 -1.912) 6.371 4.074 ( -7.510 0.000 6.401) 9.867 4.457 ( 2.549 0.000 -1.785) 3.112 4.599 ( 8.513 0.000 0.078) 8.514 4.928 ( 1.532 0.000 -10.426) 10.538 5.007 ( 6.545 0.000 -0.303) 6.552 5.343 ( -2.783 0.000 -0.036) 2.783 5.497 ( 3.677 0.000 11.662) 12.228 5.563 ( 0.252 0.000 -5.112) 5.118 5.853 ( -0.305 0.000 -3.102) 3.117 6.211 ( -10.607 0.000 -12.265) 16.215 6.285 ( 6.605 0.000 -4.790) 8.158 6.882 ( 9.702 0.000 -4.194) 10.570 7.037 ( 8.173 0.000 -5.810) 10.028 7.231 ( 7.587 0.000 -3.508) 8.359 7.333 ( 7.298 0.000 5.485) 9.129 8.246 ( -3.772 0.000 -0.143) 3.775 8.296 ( -4.200 0.000 -2.803) 5.049 8.469 ( 1.851 0.000 -4.833) 5.175 8.592 ( -10.385 0.000 3.917) 11.099 9.214 ( -9.420 0.000 8.833) 12.913 9.713 ( 11.232 0.000 -7.418) 13.460 10.723 ( -4.980 0.000 6.418) 8.123 10.920 ( -12.568 0.000 8.586) 15.221 10.976 ( -4.742 0.000 4.758) 6.717 11.516 ( 12.565 0.000 5.685) 13.791 11.560 ( -0.720 0.000 -2.671) 2.767 20.392 ( -21.781 0.000 30.264) 37.287 20.995 ( -3.553 0.000 -1.340) 3.798 21.157 ( 1.321 0.000 -0.412) 1.384 21.169 ( -2.422 0.000 1.987) 3.133 21.654 ( -7.059 0.000 -4.764) 8.516 22.013 ( 15.550 0.000 -11.440) 19.305 22.164 ( 10.708 0.000 -9.315) 14.193 22.721 ( -10.362 0.000 -13.108) 16.709 23.506 ( -2.288 0.000 4.579) 5.119 24.128 ( 18.125 0.000 -6.146) 19.139 24.275 ( -4.671 0.000 1.413) 4.880 24.517 ( 0.893 0.000 -0.673) 1.118 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 22.616 0.000 18.054) 28.938 1.571 ( 26.582 0.000 15.235) 30.639 2.256 ( 17.477 0.000 23.304) 29.129 2.760 ( 22.398 0.000 9.710) 24.412 2.873 ( -6.734 0.000 -0.887) 6.792 3.238 ( 4.048 0.000 -2.593) 4.807 3.336 ( -0.778 0.000 7.659) 7.698 3.449 ( -1.647 0.000 6.181) 6.397 3.627 ( 2.272 0.000 -3.322) 4.025 3.929 ( 8.171 0.000 3.797) 9.010 3.937 ( -4.999 0.000 6.817) 8.454 4.495 ( 1.724 0.000 -3.184) 3.621 4.765 ( 6.470 0.000 -2.927) 7.101 4.965 ( 3.017 0.000 -10.225) 10.661 5.146 ( 6.431 0.000 -0.939) 6.499 5.243 ( -7.679 0.000 0.544) 7.698 5.546 ( -2.487 0.000 -4.024) 4.731 5.605 ( 7.893 0.000 12.041) 14.397 5.865 ( -1.250 0.000 -4.715) 4.878 6.010 ( -6.574 0.000 -5.631) 8.657 6.494 ( 14.851 0.000 -6.713) 16.298 7.068 ( 8.333 0.000 -3.088) 8.887 7.112 ( 2.051 0.000 0.530) 2.119 7.406 ( 9.630 0.000 -4.368) 10.575 7.496 ( 8.133 0.000 5.323) 9.720 8.152 ( -5.574 0.000 1.336) 5.732 8.222 ( -2.552 0.000 -5.914) 6.441 8.490 ( -1.987 0.000 -0.594) 2.074 8.512 ( 2.440 0.000 -5.853) 6.341 8.964 ( -15.806 0.000 7.425) 17.463 9.876 ( 6.156 0.000 -4.136) 7.417 10.506 ( -14.928 0.000 -2.740) 15.177 10.794 ( -2.626 0.000 14.392) 14.630 10.908 ( -3.109 0.000 2.600) 4.053 11.547 ( 0.195 0.000 2.077) 2.086 11.713 ( 7.504 0.000 6.655) 10.030 20.244 ( 1.533 0.000 18.147) 18.211 20.902 ( -5.927 0.000 -0.320) 5.936 21.122 ( -2.158 0.000 1.749) 2.778 21.186 ( 1.404 0.000 -0.557) 1.510 21.543 ( -3.763 0.000 -3.480) 5.126 22.267 ( 11.336 0.000 -8.900) 14.412 22.381 ( 11.166 0.000 -9.776) 14.841 22.468 ( -13.661 0.000 -7.831) 15.746 23.467 ( -1.961 0.000 4.066) 4.514 24.140 ( -9.144 0.000 2.277) 9.423 24.397 ( 10.492 0.000 -4.545) 11.434 24.543 ( 1.779 0.000 -0.771) 1.939 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 23.735 0.000 14.639) 27.886 2.050 ( 21.160 0.000 2.309) 21.286 2.503 ( 12.504 0.000 18.025) 21.938 2.722 ( -8.430 0.000 -0.147) 8.431 2.837 ( -11.667 0.000 6.849) 13.529 3.293 ( 1.258 0.000 -2.740) 3.015 3.299 ( -4.093 0.000 7.647) 8.673 3.576 ( -6.948 0.000 -2.883) 7.522 3.775 ( 28.854 0.000 10.751) 30.792 3.934 ( 3.951 0.000 2.301) 4.573 4.093 ( 8.314 0.000 4.746) 9.573 4.547 ( 4.014 0.000 -3.893) 5.591 4.803 ( -1.341 0.000 -6.298) 6.439 5.056 ( -11.416 0.000 3.145) 11.841 5.082 ( 8.140 0.000 -6.194) 10.229 5.228 ( 2.355 0.000 -1.401) 2.740 5.463 ( -6.036 0.000 -2.129) 6.400 5.694 ( -11.823 0.000 -10.852) 16.048 5.804 ( 12.125 0.000 10.938) 16.330 6.053 ( 5.535 0.000 4.401) 7.072 6.811 ( 15.291 0.000 -9.520) 18.012 7.166 ( 1.134 0.000 -2.829) 3.048 7.184 ( 7.458 0.000 4.172) 8.546 7.569 ( 6.414 0.000 -3.082) 7.116 7.647 ( 7.778 0.000 9.863) 12.561 8.051 ( -4.459 0.000 2.040) 4.903 8.195 ( -0.739 0.000 -6.888) 6.927 8.483 ( 1.035 0.000 -4.442) 4.561 8.541 ( -2.200 0.000 -4.268) 4.801 8.640 ( -14.668 0.000 3.467) 15.073 9.959 ( 2.487 0.000 -5.549) 6.081 10.231 ( -12.535 0.000 -6.525) 14.131 10.758 ( -1.301 0.000 14.125) 14.185 10.838 ( -3.934 0.000 3.430) 5.219 11.588 ( 4.096 0.000 5.425) 6.797 11.800 ( 1.546 0.000 6.876) 7.048 20.342 ( 7.218 0.000 10.581) 12.808 20.775 ( -6.968 0.000 1.384) 7.104 21.096 ( -0.349 0.000 1.411) 1.454 21.194 ( -0.928 0.000 -0.468) 1.039 21.531 ( 2.829 0.000 -2.713) 3.920 22.142 ( -15.149 0.000 -6.789) 16.601 22.540 ( 11.899 0.000 -7.844) 14.252 22.580 ( 9.092 0.000 -10.300) 13.738 23.439 ( -0.369 0.000 5.380) 5.392 23.929 ( -12.470 0.000 3.859) 13.054 24.549 ( 5.485 0.000 -3.254) 6.378 24.581 ( 2.074 0.000 -1.125) 2.360 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 22.273 0.000 11.475) 25.055 2.322 ( 4.381 0.000 -0.058) 4.382 2.525 ( -13.204 0.000 7.873) 15.373 2.562 ( -7.855 0.000 0.217) 7.858 2.828 ( 17.946 0.000 14.735) 23.220 3.143 ( -12.751 0.000 10.197) 16.327 3.332 ( 3.173 0.000 -3.418) 4.664 3.427 ( -6.889 0.000 -3.488) 7.722 4.033 ( 5.124 0.000 -1.087) 5.238 4.085 ( 1.525 0.000 -0.887) 1.764 4.390 ( 21.550 0.000 11.867) 24.601 4.628 ( 1.755 0.000 -0.958) 2.000 4.765 ( -2.202 0.000 -5.905) 6.302 4.815 ( -12.075 0.000 4.159) 12.771 5.212 ( 4.539 0.000 -3.498) 5.731 5.303 ( 7.374 0.000 -4.331) 8.552 5.325 ( -7.445 0.000 -2.139) 7.746 5.478 ( -10.211 0.000 -7.978) 12.958 6.026 ( 9.323 0.000 8.960) 12.931 6.119 ( -0.022 0.000 6.534) 6.534 7.004 ( 6.212 0.000 -5.791) 8.493 7.116 ( -5.281 0.000 -3.115) 6.131 7.435 ( 15.139 0.000 -0.249) 15.141 7.616 ( -2.615 0.000 -1.400) 2.966 7.806 ( 9.005 0.000 11.162) 14.341 7.969 ( -5.706 0.000 3.811) 6.862 8.187 ( 0.558 0.000 -3.522) 3.566 8.291 ( -12.364 0.000 3.641) 12.888 8.523 ( 2.821 0.000 -7.227) 7.758 8.570 ( -1.531 0.000 -7.648) 7.800 9.987 ( 1.304 0.000 -8.502) 8.602 10.049 ( -5.984 0.000 -8.956) 10.771 10.746 ( 0.217 0.000 12.063) 12.065 10.772 ( -2.532 0.000 7.998) 8.389 11.688 ( 5.601 0.000 6.557) 8.623 11.780 ( -3.346 0.000 6.827) 7.603 20.491 ( 7.769 0.000 6.447) 10.095 20.637 ( -7.338 0.000 3.624) 8.184 21.110 ( 1.766 0.000 0.828) 1.950 21.156 ( -2.616 0.000 0.106) 2.618 21.649 ( 9.018 0.000 -3.065) 9.524 21.865 ( -13.090 0.000 -4.368) 13.799 22.715 ( 4.310 0.000 -11.076) 11.885 22.716 ( 4.920 0.000 -10.833) 11.898 23.488 ( 6.271 0.000 7.195) 9.544 23.679 ( -12.524 0.000 6.053) 13.910 24.614 ( 1.449 0.000 -2.441) 2.839 24.615 ( 1.127 0.000 -1.715) 2.052 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.000 12.368 30.697) 33.095 1.007 ( 0.000 26.664 22.408) 34.830 1.570 ( 0.000 22.926 52.680) 57.452 2.339 ( 0.000 1.039 8.343) 8.407 3.005 ( 0.000 2.658 -1.981) 3.315 3.188 ( 0.000 2.779 -2.131) 3.502 3.311 ( 0.000 -10.397 5.476) 11.751 3.524 ( 0.000 10.192 8.605) 13.339 3.692 ( 0.000 10.241 -1.310) 10.324 3.709 ( 0.000 9.319 6.945) 11.622 4.192 ( 0.000 0.101 1.314) 1.318 4.445 ( 0.000 1.878 -2.149) 2.854 4.540 ( 0.000 1.859 1.954) 2.697 4.843 ( 0.000 -6.564 -9.387) 11.455 4.949 ( 0.000 1.816 1.678) 2.472 5.317 ( 0.000 -11.775 11.010) 16.121 5.527 ( 0.000 2.284 -21.155) 21.278 5.544 ( 0.000 -1.882 -6.128) 6.410 5.897 ( 0.000 2.236 -3.993) 4.577 6.225 ( 0.000 0.388 -6.263) 6.275 6.350 ( 0.000 -0.144 -10.195) 10.196 6.767 ( 0.000 0.362 -5.954) 5.965 6.855 ( 0.000 -0.553 5.213) 5.242 7.127 ( 0.000 -1.937 -2.417) 3.098 7.310 ( 0.000 5.048 4.766) 6.942 8.297 ( 0.000 0.977 -1.160) 1.517 8.334 ( 0.000 -0.401 -2.277) 2.312 8.448 ( 0.000 0.063 -3.619) 3.619 8.722 ( 0.000 -7.124 5.503) 9.002 9.309 ( 0.000 0.071 9.245) 9.246 9.516 ( 0.000 0.476 -5.710) 5.730 10.294 ( 0.000 -29.281 29.874) 41.831 10.794 ( 0.000 -1.294 7.702) 7.810 11.156 ( 0.000 -0.109 10.615) 10.615 11.530 ( 0.000 4.761 0.076) 4.762 11.555 ( 0.000 -0.322 -4.522) 4.533 20.404 ( 0.000 -24.875 31.815) 40.385 21.010 ( 0.000 0.290 1.124) 1.161 21.125 ( 0.000 -1.329 0.651) 1.480 21.260 ( 0.000 1.826 1.140) 2.153 21.693 ( 0.000 0.483 -7.324) 7.339 21.944 ( 0.000 7.724 -9.573) 12.301 22.030 ( 0.000 0.163 -9.191) 9.193 22.856 ( 0.000 2.317 -15.532) 15.703 23.486 ( 0.000 -11.189 21.567) 24.296 23.573 ( 0.000 0.022 2.072) 2.072 24.320 ( 0.000 0.059 1.243) 1.244 24.769 ( 0.000 8.948 -13.387) 16.102 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 11.034 23.178 16.208) 30.359 1.192 ( 22.423 11.671 24.185) 34.985 1.879 ( 30.282 17.277 41.143) 53.928 2.435 ( 7.907 -0.875 6.562) 10.313 2.990 ( -1.710 3.171 -2.100) 4.170 3.192 ( 0.646 1.508 -2.291) 2.818 3.313 ( 1.318 -8.561 5.055) 10.029 3.543 ( 1.188 9.473 8.425) 12.733 3.629 ( -3.534 6.948 -0.120) 7.796 3.858 ( 7.129 5.176 3.080) 9.333 4.103 ( -6.136 2.060 5.062) 8.216 4.475 ( 2.348 0.903 -3.016) 3.927 4.607 ( 6.648 1.053 1.464) 6.888 4.848 ( 0.576 -6.456 -8.057) 10.341 4.990 ( 4.471 -0.273 -0.080) 4.480 5.271 ( -4.755 -8.930 2.937) 10.535 5.421 ( -1.289 -6.988 -0.105) 7.107 5.629 ( 0.504 2.446 -7.345) 7.758 5.888 ( 0.984 2.335 -2.104) 3.294 6.211 ( -7.799 0.556 -12.421) 14.677 6.306 ( 4.933 1.114 -5.710) 7.627 6.879 ( 9.040 -0.517 -3.667) 9.769 7.027 ( 10.010 -2.247 -5.214) 11.508 7.213 ( 7.784 -0.951 -3.855) 8.738 7.339 ( 4.553 2.259 7.370) 8.953 8.260 ( -3.760 1.126 -0.184) 3.930 8.293 ( -3.728 -0.197 -2.589) 4.543 8.463 ( 1.208 -0.296 -3.977) 4.167 8.579 ( -7.107 -1.245 4.548) 8.529 9.216 ( -9.370 0.128 8.699) 12.786 9.701 ( 11.023 -1.342 -6.733) 12.986 10.434 ( 11.158 -26.231 17.112) 33.247 10.737 ( -7.046 -1.209 3.742) 8.069 10.978 ( -11.050 -0.158 11.298) 15.805 11.528 ( -1.437 -0.203 -2.708) 3.072 11.678 ( 8.945 5.241 3.633) 10.986 20.239 ( -7.793 -9.280 26.555) 29.189 21.017 ( -2.649 1.113 0.179) 2.879 21.140 ( 1.705 -1.174 0.096) 2.072 21.233 ( -1.987 4.210 0.695) 4.707 21.622 ( -5.723 -1.893 -5.233) 7.982 22.060 ( 9.988 2.818 -8.587) 13.470 22.163 ( 10.510 -0.075 -9.240) 13.995 22.750 ( -10.474 2.232 -13.547) 17.269 23.494 ( -0.790 -1.144 5.523) 5.696 23.836 ( 21.263 -13.483 6.644) 26.039 24.309 ( -1.609 0.356 0.657) 1.774 24.670 ( -7.362 6.910 -7.019) 12.297 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 15.285 15.658 12.966) 25.435 1.668 ( 25.750 9.023 13.487) 30.436 2.401 ( 14.666 12.121 19.883) 27.520 2.681 ( 16.675 -5.565 10.131) 20.289 2.948 ( -1.738 4.808 0.071) 5.113 3.214 ( 1.934 -1.442 -2.565) 3.521 3.347 ( 1.486 -0.869 3.663) 4.047 3.532 ( -0.923 -0.643 0.549) 1.252 3.606 ( 3.996 8.456 10.878) 14.345 3.862 ( -5.779 2.363 0.964) 6.317 4.101 ( 5.764 6.478 7.924) 11.747 4.512 ( 1.404 0.872 -3.793) 4.138 4.732 ( 2.912 -4.118 -4.775) 6.945 4.889 ( 5.246 -5.106 -3.466) 8.099 5.097 ( 4.974 -2.101 -1.644) 5.644 5.183 ( -3.314 -6.204 0.523) 7.053 5.439 ( 0.295 -7.541 0.285) 7.552 5.589 ( -0.496 -4.238 6.017) 7.376 5.944 ( -0.602 5.380 -7.423) 9.187 6.045 ( -3.974 3.489 -6.591) 8.450 6.502 ( 14.385 0.483 -7.284) 16.131 7.060 ( 8.296 -0.894 -2.466) 8.701 7.127 ( 2.688 0.277 -1.778) 3.235 7.388 ( 9.749 -0.796 -2.823) 10.181 7.488 ( 8.873 -0.212 6.395) 10.939 8.165 ( -5.673 1.108 1.483) 5.967 8.226 ( -2.528 0.271 -5.187) 5.777 8.471 ( -0.527 -0.857 -2.403) 2.606 8.531 ( 1.070 0.815 -2.802) 3.108 8.967 ( -15.733 0.217 7.287) 17.340 9.863 ( 6.259 -1.485 -3.249) 7.207 10.494 ( -13.668 -1.667 -2.094) 13.928 10.624 ( 4.984 -14.869 5.481) 16.612 10.846 ( -3.946 -1.710 12.798) 13.501 11.507 ( 0.160 -1.697 1.521) 2.285 11.815 ( 4.826 5.641 6.190) 9.665 20.207 ( 3.416 -2.723 16.413) 16.984 20.918 ( -6.759 0.843 0.469) 6.827 21.157 ( -0.544 2.386 0.501) 2.498 21.214 ( 0.501 3.198 -0.328) 3.254 21.529 ( -3.077 -1.303 -3.403) 4.769 22.276 ( 11.126 0.712 -7.925) 13.679 22.365 ( 8.046 -1.113 -8.173) 11.523 22.505 ( -11.132 2.954 -10.258) 15.423 23.467 ( -1.798 -0.047 4.050) 4.431 24.112 ( -0.803 -2.915 2.785) 4.111 24.306 ( 7.693 -5.807 -1.254) 9.720 24.578 ( -1.486 2.124 -1.815) 3.164 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 19.085 5.984 11.786) 23.216 2.140 ( 21.350 8.525 1.586) 23.044 2.592 ( 8.639 5.616 12.215) 15.981 2.752 ( -5.845 3.852 1.970) 7.272 2.853 ( -9.296 2.144 9.062) 13.158 3.258 ( 2.069 -2.324 -2.283) 3.859 3.359 ( -2.279 4.731 5.247) 7.424 3.587 ( -2.345 -0.191 -1.961) 3.063 3.706 ( 4.297 -9.104 3.898) 10.795 3.928 ( 20.557 8.595 11.379) 25.019 4.188 ( 1.375 3.285 4.021) 5.371 4.550 ( 3.207 -0.001 -3.865) 5.022 4.724 ( -1.258 -7.947 -7.162) 10.772 4.947 ( -3.558 -4.403 2.764) 6.300 5.151 ( 2.383 -3.791 -0.833) 4.555 5.185 ( 2.634 2.875 -1.697) 4.253 5.392 ( -2.101 -6.055 -0.343) 6.418 5.684 ( 3.442 -3.490 0.302) 4.911 5.813 ( -2.685 2.470 -1.692) 4.021 6.100 ( 3.427 4.230 0.586) 5.475 6.819 ( 16.031 0.699 -9.810) 18.807 7.167 ( 4.055 0.104 -0.979) 4.173 7.204 ( 5.289 1.040 0.815) 5.451 7.555 ( 6.442 -0.990 -2.128) 6.857 7.650 ( 8.018 0.427 9.502) 12.440 8.059 ( -4.752 0.750 2.216) 5.296 8.197 ( -0.795 0.099 -6.006) 6.059 8.470 ( 0.316 -0.666 -3.982) 4.050 8.552 ( -1.723 0.480 -3.169) 3.639 8.646 ( -14.399 0.465 3.314) 14.782 9.951 ( 2.897 -0.880 -4.746) 5.629 10.228 ( -12.277 -0.258 -6.368) 13.832 10.675 ( 0.485 -8.604 6.170) 10.599 10.780 ( -3.201 -3.136 10.592) 11.501 11.557 ( 5.024 -1.866 5.436) 7.634 11.857 ( -0.485 3.846 6.860) 7.879 20.322 ( 7.538 -1.592 10.147) 12.740 20.776 ( -7.658 -0.117 1.791) 7.866 21.142 ( -0.316 4.042 0.764) 4.126 21.221 ( -0.607 2.411 -0.689) 2.580 21.526 ( 3.226 -0.477 -2.560) 4.146 22.155 ( -15.189 1.093 -6.455) 16.540 22.540 ( 12.008 -0.001 -7.901) 14.374 22.588 ( 8.688 0.728 -10.774) 13.859 23.440 ( -0.358 0.065 5.335) 5.348 23.936 ( -12.650 0.646 3.850) 13.238 24.492 ( 7.846 -4.828 -2.155) 9.461 24.586 ( 1.461 0.372 -1.152) 1.897 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 20.386 0.460 9.598) 22.537 2.397 ( -3.767 4.814 2.578) 6.633 2.521 ( -4.460 1.903 2.207) 5.328 2.628 ( -5.910 5.927 -0.504) 8.385 2.932 ( 15.610 9.433 14.966) 23.592 3.218 ( -11.185 6.507 9.599) 16.112 3.325 ( 3.621 -0.275 -3.099) 4.774 3.444 ( -7.743 1.365 -2.931) 8.391 3.868 ( 9.953 -11.780 -0.406) 15.427 4.064 ( -7.671 -5.141 -1.641) 9.379 4.406 ( 19.229 1.867 11.996) 22.741 4.620 ( 2.170 -1.821 -2.419) 3.725 4.703 ( -2.519 -6.559 -1.016) 7.099 4.800 ( -8.810 -0.205 3.388) 9.441 5.164 ( 2.560 -4.204 -1.877) 5.268 5.234 ( -1.905 -0.355 -1.120) 2.238 5.414 ( 4.396 3.444 -4.128) 6.944 5.569 ( -7.417 5.359 -7.154) 11.615 5.970 ( 10.035 -3.980 7.416) 13.097 6.111 ( -2.794 0.374 3.803) 4.734 7.033 ( 7.060 2.405 -6.581) 9.947 7.148 ( -4.685 2.465 -3.906) 6.579 7.433 ( 14.548 -0.268 0.221) 14.552 7.606 ( -1.914 -0.881 -0.837) 2.267 7.805 ( 8.449 -0.073 10.029) 13.114 7.971 ( -6.078 0.082 3.231) 6.884 8.184 ( -0.662 -0.186 -2.620) 2.709 8.301 ( -10.533 0.753 4.035) 11.305 8.514 ( 1.813 -0.458 -7.116) 7.357 8.582 ( -0.796 0.607 -6.191) 6.272 9.986 ( 1.438 -0.163 -8.134) 8.262 10.050 ( -5.800 0.086 -8.746) 10.495 10.674 ( -0.061 -6.100 8.649) 10.584 10.728 ( -1.818 -4.007 10.539) 11.420 11.681 ( 7.009 -0.445 6.726) 9.725 11.802 ( -4.979 1.622 6.940) 8.693 20.475 ( 7.973 -1.273 6.418) 10.314 20.627 ( -7.721 -0.834 3.832) 8.660 21.153 ( 1.368 3.669 0.410) 3.937 21.190 ( -2.160 2.927 -0.178) 3.642 21.652 ( 9.372 0.249 -2.979) 9.837 21.874 ( -13.351 0.813 -4.274) 14.042 22.715 ( 4.643 0.133 -11.154) 12.082 22.722 ( 4.575 0.405 -11.112) 12.023 23.488 ( 6.272 0.059 7.192) 9.543 23.682 ( -12.693 0.208 6.080) 14.076 24.591 ( 2.583 -1.894 -2.136) 3.850 24.611 ( 0.659 -0.474 -1.566) 1.764 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 13.012 25.900) 28.985 1.465 ( 0.000 18.423 33.778) 38.476 2.099 ( 0.000 19.812 13.719) 24.099 2.286 ( 0.000 -5.584 5.513) 7.847 3.098 ( 0.000 -4.277 15.022) 15.619 3.110 ( 0.000 6.238 -3.294) 7.055 3.324 ( 0.000 7.521 0.155) 7.523 3.785 ( 0.000 14.138 2.037) 14.284 3.857 ( 0.000 4.712 -1.947) 5.098 3.990 ( 0.000 16.910 11.467) 20.431 4.150 ( 0.000 -4.030 0.512) 4.063 4.416 ( 0.000 -7.095 -5.226) 8.812 4.578 ( 0.000 1.235 0.867) 1.509 4.727 ( 0.000 -2.137 -1.449) 2.582 4.960 ( 0.000 -1.999 1.582) 2.549 5.015 ( 0.000 -16.647 11.537) 20.254 5.399 ( 0.000 -8.960 -16.235) 18.543 5.490 ( 0.000 -2.842 -10.227) 10.615 5.928 ( 0.000 0.706 -1.880) 2.009 6.242 ( 0.000 1.076 -7.134) 7.214 6.314 ( 0.000 -2.532 -7.529) 7.944 6.779 ( 0.000 0.738 -6.891) 6.930 6.843 ( 0.000 -0.598 4.406) 4.446 7.079 ( 0.000 -2.370 -1.613) 2.867 7.450 ( 0.000 6.544 -1.626) 6.743 8.309 ( 0.000 -0.124 -2.145) 2.148 8.334 ( 0.000 0.637 -0.919) 1.119 8.456 ( 0.000 0.754 -1.600) 1.769 8.594 ( 0.000 -4.760 6.880) 8.366 9.311 ( 0.000 0.144 8.976) 8.977 9.526 ( 0.000 0.422 -5.889) 5.904 9.952 ( 0.000 -7.653 17.020) 18.661 10.777 ( 0.000 -0.601 7.558) 7.582 11.153 ( 0.000 -0.092 11.249) 11.250 11.548 ( 0.000 -0.320 -4.379) 4.391 11.571 ( 0.000 0.570 4.500) 4.536 20.124 ( 0.000 -6.172 24.407) 25.175 21.018 ( 0.000 0.378 0.878) 0.956 21.100 ( 0.000 -1.011 1.758) 2.028 21.296 ( 0.000 1.411 0.400) 1.467 21.696 ( 0.000 -0.015 -7.064) 7.064 22.025 ( 0.000 1.636 -5.492) 5.730 22.034 ( 0.000 0.169 -9.179) 9.181 22.891 ( 0.000 1.132 -14.789) 14.832 23.370 ( 0.000 -2.163 15.673) 15.822 23.574 ( 0.000 0.023 2.116) 2.117 24.322 ( 0.000 0.060 1.391) 1.392 24.861 ( 0.000 1.821 -9.780) 9.948 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 22.075 12.571 19.291) 31.898 1.593 ( 9.998 21.414 18.350) 29.920 2.184 ( 13.061 1.867 20.344) 24.248 2.389 ( 8.676 1.049 3.745) 9.508 3.091 ( -1.130 3.889 -0.103) 4.051 3.142 ( 3.235 -2.195 10.237) 10.958 3.287 ( -2.569 7.126 1.597) 7.741 3.752 ( -3.853 11.776 -0.261) 12.393 3.844 ( -2.048 7.626 1.814) 8.102 4.019 ( 2.674 11.630 7.921) 14.322 4.130 ( -1.204 0.184 5.304) 5.442 4.415 ( 0.581 -8.460 -6.839) 10.894 4.627 ( 3.929 0.578 1.978) 4.437 4.759 ( 2.210 -0.787 0.428) 2.385 4.942 ( 1.397 -7.034 2.195) 7.500 5.058 ( 2.676 -8.746 5.902) 10.885 5.233 ( -6.378 -9.106 -6.914) 13.092 5.603 ( -1.158 -3.152 -9.858) 10.414 5.913 ( 3.226 0.109 -2.755) 4.244 6.238 ( -4.212 1.758 -11.941) 12.784 6.317 ( 4.999 0.183 -7.036) 8.632 6.854 ( 7.128 -1.685 -3.069) 7.941 6.958 ( 9.046 -3.007 1.097) 9.595 7.190 ( 9.823 -1.271 -3.689) 10.570 7.438 ( 0.145 5.461 3.257) 6.361 8.277 ( -3.150 0.214 -1.586) 3.534 8.296 ( -3.538 0.688 -0.790) 3.690 8.465 ( 0.624 0.629 -2.125) 2.302 8.543 ( -2.810 -2.186 3.887) 5.271 9.219 ( -9.300 0.152 8.453) 12.568 9.658 ( 9.324 -2.353 -4.227) 10.504 10.079 ( 12.412 -8.704 10.715) 18.564 10.720 ( -6.980 -0.626 3.935) 8.037 10.974 ( -11.531 -0.186 12.289) 16.853 11.521 ( -2.249 -0.289 -2.963) 3.731 11.734 ( 10.861 1.107 6.040) 12.476 20.108 ( -0.007 -3.643 20.323) 20.647 21.036 ( -2.947 0.763 1.395) 3.349 21.114 ( 3.972 -1.179 0.079) 4.144 21.304 ( 0.757 2.525 0.178) 2.642 21.596 ( -7.112 -0.684 -5.698) 9.139 22.099 ( 7.414 1.033 -5.585) 9.340 22.162 ( 10.115 -0.057 -9.100) 13.606 22.792 ( -9.800 1.560 -13.698) 16.915 23.466 ( 3.261 -1.236 7.353) 8.138 23.675 ( 14.671 -3.560 6.504) 16.438 24.310 ( -1.771 -0.088 1.127) 2.101 24.754 ( -9.047 2.074 -6.339) 11.240 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 4.473 15.626 7.557) 17.924 1.907 ( 24.365 12.613 11.605) 29.790 2.496 ( 10.456 -5.789 4.380) 12.729 2.652 ( 19.979 1.295 13.993) 24.426 3.028 ( -6.609 2.444 -0.849) 7.097 3.205 ( 1.763 -1.920 1.616) 3.067 3.281 ( 3.669 3.372 11.256) 12.310 3.641 ( -6.210 10.391 0.048) 12.105 3.801 ( -3.065 5.554 0.403) 6.356 4.024 ( 0.454 11.930 7.925) 14.330 4.175 ( 4.386 1.429 9.577) 10.630 4.430 ( 0.382 -10.547 -8.027) 13.260 4.658 ( -1.875 0.410 -0.030) 1.920 4.818 ( 5.730 -2.776 1.218) 6.483 5.045 ( -0.474 -5.564 0.836) 5.647 5.070 ( 7.310 -3.174 1.937) 8.201 5.267 ( 7.380 -6.737 0.226) 9.995 5.458 ( -7.894 -6.702 2.269) 10.601 6.023 ( 0.384 2.206 -13.064) 13.254 6.138 ( -0.840 4.629 -7.092) 8.511 6.508 ( 14.193 0.207 -8.482) 16.536 7.023 ( 9.096 -2.447 -2.164) 9.665 7.092 ( 4.649 -2.896 -1.245) 5.617 7.391 ( 9.980 0.417 -2.981) 10.424 7.512 ( 7.346 2.347 8.428) 11.424 8.191 ( -5.799 1.220 1.521) 6.118 8.227 ( -2.782 -0.177 -3.667) 4.606 8.467 ( -0.254 0.474 -1.658) 1.743 8.532 ( 1.199 -0.762 -1.337) 1.951 8.972 ( -15.637 0.200 7.046) 17.152 9.811 ( 6.700 -3.114 -0.559) 7.409 10.334 ( 10.953 -8.109 0.645) 13.644 10.497 ( -13.577 -0.937 -2.524) 13.841 10.822 ( -5.304 -0.816 15.028) 15.957 11.485 ( -0.588 -0.624 1.169) 1.450 11.892 ( 4.860 2.051 6.831) 8.631 20.159 ( 5.240 -1.672 14.062) 15.099 20.925 ( -7.453 0.022 1.512) 7.605 21.187 ( 2.791 0.775 -0.894) 3.032 21.312 ( -0.229 5.300 -0.572) 5.336 21.492 ( -2.826 -2.322 -3.180) 4.847 22.290 ( 11.288 0.573 -6.437) 13.007 22.345 ( 6.107 -0.771 -7.205) 9.477 22.565 ( -10.134 2.359 -12.439) 16.217 23.466 ( -1.482 -0.022 3.991) 4.258 24.035 ( 16.126 -3.586 3.996) 16.996 24.225 ( -5.649 -2.134 1.050) 6.130 24.614 ( -3.749 1.274 -1.989) 4.431 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 9.633 5.605 7.970) 13.702 2.377 ( 22.045 13.372 0.826) 25.797 2.640 ( 3.945 0.564 1.843) 4.391 2.815 ( -12.807 0.671 1.819) 12.953 2.947 ( 10.050 2.049 10.464) 14.652 3.234 ( 2.470 0.589 -1.735) 3.075 3.394 ( 6.218 -3.068 8.907) 11.288 3.545 ( -3.675 4.845 2.916) 6.744 3.678 ( -9.114 2.574 -0.152) 9.472 4.095 ( -1.832 -0.718 1.077) 2.243 4.245 ( 8.064 8.360 12.658) 17.180 4.444 ( 2.007 -10.048 -6.053) 11.901 4.619 ( -1.378 -0.135 -0.646) 1.528 4.903 ( 0.359 -0.085 2.583) 2.609 5.041 ( 1.666 -4.599 0.077) 4.892 5.219 ( 2.326 -2.986 6.477) 7.502 5.256 ( 2.288 -6.923 3.529) 8.100 5.593 ( 15.647 -1.742 0.661) 15.757 5.881 ( -9.706 2.875 -10.826) 14.821 6.204 ( 2.110 4.980 -5.355) 7.611 6.834 ( 17.400 0.608 -10.254) 20.206 7.159 ( 5.879 -0.748 -1.165) 6.040 7.197 ( 6.442 -1.765 -0.861) 6.735 7.547 ( 5.415 0.301 -0.483) 5.444 7.667 ( 7.716 1.077 9.060) 11.949 8.077 ( -5.415 0.791 2.138) 5.875 8.193 ( -0.894 -0.483 -4.171) 4.293 8.469 ( 0.297 0.664 -2.348) 2.458 8.548 ( -2.109 -0.891 -1.475) 2.724 8.655 ( -13.933 0.350 3.015) 14.260 9.920 ( 4.387 -1.902 -2.353) 5.329 10.225 ( -11.796 0.041 -6.218) 13.335 10.495 ( 4.070 -6.893 -0.599) 8.028 10.727 ( -4.939 -2.115 14.036) 15.029 11.530 ( 5.452 -0.796 5.511) 7.793 11.919 ( -1.917 1.945 7.087) 7.595 20.292 ( 7.912 -1.176 9.543) 12.452 20.769 ( -8.354 -0.408 2.380) 8.696 21.219 ( 0.711 2.482 -0.691) 2.673 21.292 ( -1.728 4.317 -0.988) 4.754 21.508 ( 4.614 -1.324 -2.058) 5.223 22.179 ( -15.028 0.987 -5.755) 16.122 22.540 ( 12.248 0.026 -8.025) 14.643 22.605 ( 7.769 0.803 -11.734) 14.096 23.442 ( -0.340 0.077 5.243) 5.255 23.952 ( -13.443 0.835 3.772) 13.987 24.388 ( 11.899 -4.484 -0.223) 12.718 24.595 ( 0.546 0.375 -1.199) 1.370 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 16.684 -0.253 7.621) 18.344 2.410 ( -18.791 -1.650 6.121) 19.831 2.683 ( 7.409 11.270 -5.667) 14.630 2.784 ( 1.861 7.932 -1.965) 8.381 3.154 ( 13.147 9.659 10.994) 19.673 3.311 ( 4.748 0.805 -1.209) 4.965 3.387 ( -6.554 6.882 3.490) 10.124 3.478 ( -10.216 2.075 0.893) 10.463 3.617 ( 10.330 -10.752 3.168) 15.243 3.891 ( -14.185 -10.639 -2.170) 17.864 4.441 ( 6.438 -2.074 6.599) 9.450 4.507 ( 1.860 -4.915 -2.995) 6.049 4.619 ( 5.041 -0.400 4.626) 6.853 4.802 ( -9.425 0.719 7.020) 11.774 5.103 ( 4.096 -2.021 2.234) 5.085 5.210 ( -1.027 -3.295 5.734) 6.692 5.427 ( 10.910 -1.978 -0.673) 11.108 5.645 ( -10.832 2.651 -7.622) 13.508 5.938 ( 14.619 1.253 -0.245) 14.675 6.162 ( -6.807 3.797 -3.030) 8.363 7.078 ( 8.016 1.585 -7.496) 11.089 7.189 ( -3.151 1.172 -5.125) 6.129 7.424 ( 14.496 -0.533 0.861) 14.531 7.588 ( -1.486 -0.635 0.834) 1.819 7.802 ( 7.113 -0.219 7.600) 10.412 7.969 ( -7.390 -0.255 2.029) 7.667 8.186 ( -0.020 0.405 -1.001) 1.081 8.309 ( -9.928 -0.140 4.448) 10.879 8.515 ( 1.765 0.501 -4.806) 5.145 8.583 ( -0.908 -0.455 -4.614) 4.724 9.981 ( 2.319 -0.299 -7.010) 7.390 10.052 ( -5.718 0.131 -8.444) 10.199 10.548 ( 2.289 -5.033 5.673) 7.921 10.635 ( -4.022 -4.163 11.293) 12.690 11.675 ( 8.611 -0.142 7.002) 11.100 11.830 ( -6.833 0.993 7.150) 9.940 20.450 ( 8.263 -0.993 6.433) 10.519 20.609 ( -8.203 -0.770 4.128) 9.215 21.230 ( 0.813 3.091 -0.472) 3.230 21.256 ( -1.784 3.035 -0.652) 3.581 21.657 ( 10.306 0.151 -2.749) 10.667 21.893 ( -13.873 0.818 -4.071) 14.481 22.720 ( 4.937 0.335 -11.384) 12.413 22.730 ( 4.251 0.274 -11.634) 12.390 23.490 ( 6.291 0.075 7.203) 9.564 23.686 ( -13.054 0.205 6.139) 14.427 24.549 ( 5.028 -1.778 -1.427) 5.521 24.600 ( -0.574 -0.460 -1.427) 1.605 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 0.000 25.134) 25.134 1.692 ( 0.000 0.000 42.149) 42.149 2.204 ( 0.000 0.000 4.013) 4.013 2.250 ( 0.000 0.000 -9.587) 9.587 3.098 ( 0.000 0.000 19.766) 19.766 3.185 ( 0.000 0.000 -4.215) 4.215 3.471 ( 0.000 -0.000 6.547) 6.547 3.872 ( 0.000 0.000 -1.310) 1.310 4.047 ( 0.000 0.000 0.876) 0.876 4.080 ( 0.000 0.000 -1.095) 1.095 4.138 ( 0.000 -0.000 -3.243) 3.243 4.325 ( 0.000 0.000 7.945) 7.945 4.584 ( 0.000 0.000 -1.065) 1.065 4.734 ( 0.000 0.000 9.990) 9.990 4.753 ( 0.000 -0.000 5.000) 5.000 4.913 ( 0.000 0.000 3.112) 3.112 5.308 ( 0.000 0.000 -13.042) 13.042 5.455 ( 0.000 0.000 -12.791) 12.791 5.934 ( 0.000 -0.000 -0.972) 0.972 6.265 ( 0.000 0.000 -6.852) 6.852 6.274 ( 0.000 0.000 -7.385) 7.385 6.789 ( 0.000 0.000 -8.000) 8.000 6.835 ( 0.000 -0.000 4.670) 4.670 7.051 ( 0.000 0.000 -0.847) 0.847 7.523 ( 0.000 0.000 -3.106) 3.106 8.306 ( 0.000 -0.000 -2.062) 2.062 8.344 ( 0.000 0.000 -0.847) 0.847 8.471 ( 0.000 -0.000 0.854) 0.854 8.539 ( 0.000 0.000 3.520) 3.520 9.313 ( 0.000 0.000 8.877) 8.877 9.531 ( 0.000 0.000 -6.015) 6.015 9.883 ( 0.000 0.000 11.696) 11.696 10.770 ( 0.000 0.000 7.498) 7.498 11.152 ( 0.000 0.000 11.578) 11.578 11.544 ( 0.000 0.000 -4.308) 4.308 11.575 ( 0.000 0.000 5.580) 5.580 20.068 ( 0.000 0.000 21.120) 21.120 21.022 ( 0.000 0.000 0.615) 0.615 21.088 ( 0.000 -0.000 2.319) 2.319 21.311 ( 0.000 0.000 0.161) 0.161 21.695 ( 0.000 0.000 -7.018) 7.018 22.036 ( 0.000 0.000 -9.172) 9.172 22.039 ( 0.000 0.000 -4.356) 4.356 22.903 ( 0.000 0.000 -14.412) 14.412 23.352 ( 0.000 0.000 13.685) 13.685 23.574 ( 0.000 0.000 2.140) 2.140 24.322 ( 0.000 0.000 1.464) 1.464 24.877 ( 0.000 0.000 -8.469) 8.469 ======================= Grid point 92 (37/120) ======================= q-point: ( 0.11 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 23.305 -0.000 19.483) 30.376 1.926 ( 23.678 -0.000 33.032) 40.642 2.037 ( -9.733 0.000 1.208) 9.808 2.402 ( 8.717 0.000 -6.145) 10.666 3.118 ( 1.835 0.000 16.117) 16.221 3.164 ( -2.529 -0.000 -3.595) 4.395 3.442 ( -2.186 -0.000 9.333) 9.585 3.866 ( -1.459 0.000 -0.827) 1.677 3.981 ( -4.983 0.000 0.082) 4.983 4.087 ( -0.148 0.000 1.534) 1.541 4.162 ( 1.634 -0.000 -4.368) 4.663 4.313 ( -0.387 0.000 5.739) 5.752 4.642 ( 4.484 -0.000 2.465) 5.117 4.724 ( -0.980 0.000 10.080) 10.127 4.810 ( 5.842 -0.000 7.524) 9.526 4.971 ( 7.901 0.000 -0.378) 7.910 5.139 ( -9.386 0.000 -9.743) 13.529 5.564 ( -1.861 0.000 -11.163) 11.317 5.911 ( 4.149 -0.000 -3.145) 5.207 6.262 ( -2.873 -0.000 -11.269) 11.630 6.318 ( 5.981 0.000 -7.743) 9.784 6.832 ( 5.558 0.000 -2.872) 6.256 6.927 ( 7.634 -0.000 3.030) 8.213 7.175 ( 10.693 0.000 -2.964) 11.096 7.500 ( -0.931 0.000 1.551) 1.809 8.278 ( -2.625 0.000 -2.209) 3.430 8.306 ( -3.757 0.000 0.110) 3.759 8.484 ( 1.257 -0.000 -0.141) 1.265 8.507 ( -2.156 0.000 1.723) 2.760 9.221 ( -9.283 0.000 8.338) 12.478 9.630 ( 7.632 0.000 -3.060) 8.222 10.002 ( 11.749 0.000 6.052) 13.216 10.713 ( -6.995 0.000 3.913) 8.015 10.972 ( -11.683 0.000 12.667) 17.232 11.518 ( -2.356 0.000 -2.906) 3.741 11.744 ( 11.429 0.000 6.824) 13.311 20.073 ( 1.385 0.000 18.135) 18.187 21.045 ( -4.417 -0.000 2.087) 4.885 21.099 ( 5.936 0.000 -0.268) 5.942 21.331 ( 2.119 0.000 0.053) 2.120 21.590 ( -7.949 0.000 -5.838) 9.862 22.109 ( 7.027 0.000 -4.707) 8.457 22.161 ( 9.917 0.000 -9.035) 13.416 22.808 ( -9.338 0.000 -13.675) 16.559 23.453 ( 4.837 0.000 7.829) 9.202 23.644 ( 11.359 0.000 5.605) 12.666 24.309 ( -1.990 0.000 1.271) 2.361 24.773 ( -8.965 0.000 -5.771) 10.662 ======================= Grid point 94 (38/120) ======================= q-point: ( 0.22 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -5.714 -0.000 4.255) 7.125 2.050 ( 26.062 -0.000 12.655) 28.972 2.449 ( 25.298 0.000 16.946) 30.449 2.571 ( 8.752 0.000 -7.489) 11.519 3.059 ( -9.088 0.000 -0.988) 9.142 3.161 ( 2.589 0.000 7.091) 7.549 3.416 ( -0.206 -0.000 15.572) 15.574 3.766 ( -7.873 0.000 -1.120) 7.952 3.890 ( -5.958 0.000 -0.395) 5.971 4.115 ( 4.751 0.000 7.621) 8.980 4.162 ( -2.670 -0.000 -6.744) 7.253 4.344 ( 3.875 0.000 2.821) 4.793 4.696 ( -2.093 -0.000 8.045) 8.313 4.759 ( 8.906 0.000 2.091) 9.148 4.956 ( 8.784 0.000 12.223) 15.052 4.994 ( -5.746 -0.000 -5.149) 7.716 5.236 ( 17.827 0.000 -3.795) 18.226 5.375 ( -12.830 0.000 0.333) 12.834 6.044 ( 1.319 -0.000 -15.243) 15.300 6.193 ( 0.212 -0.000 -7.658) 7.660 6.511 ( 14.169 0.000 -9.258) 16.925 6.990 ( 9.547 0.000 -2.102) 9.776 7.056 ( 5.100 -0.000 0.700) 5.148 7.395 ( 10.821 0.000 -2.414) 11.087 7.544 ( 5.765 0.000 7.907) 9.786 8.207 ( -6.212 0.000 1.668) 6.432 8.222 ( -2.670 0.000 -3.065) 4.065 8.479 ( -0.601 0.000 -0.001) 0.601 8.515 ( 1.829 0.000 -2.105) 2.788 8.974 ( -15.614 0.000 6.946) 17.089 9.772 ( 6.955 0.000 0.664) 6.987 10.258 ( 12.227 0.000 -2.429) 12.466 10.488 ( -14.290 0.000 -2.531) 14.512 10.813 ( -5.853 0.000 15.467) 16.538 11.479 ( -0.767 0.000 1.177) 1.404 11.911 ( 5.174 0.000 7.195) 8.863 20.142 ( 5.707 -0.000 13.206) 14.386 20.925 ( -7.707 -0.000 1.868) 7.930 21.194 ( 3.639 0.000 -1.157) 3.819 21.389 ( 3.747 -0.000 -0.556) 3.788 21.449 ( -6.214 0.000 -3.448) 7.106 22.297 ( 11.885 0.000 -5.730) 13.194 22.336 ( 5.145 0.000 -7.146) 8.806 22.590 ( -9.890 0.000 -13.084) 16.402 23.466 ( -1.331 0.000 3.947) 4.166 23.995 ( 20.452 0.000 4.522) 20.946 24.204 ( -9.599 0.000 1.588) 9.729 24.628 ( -4.286 0.000 -1.994) 4.727 ======================= Grid point 96 (39/120) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 4.446 -0.000 6.579) 7.940 2.546 ( 21.505 -0.000 3.708) 21.823 2.735 ( 7.951 0.000 -8.007) 11.284 2.748 ( -4.998 -0.000 4.679) 6.847 2.894 ( 6.459 0.000 5.536) 8.507 3.221 ( 3.803 0.000 -0.178) 3.807 3.432 ( 1.691 -0.000 18.673) 18.749 3.616 ( -7.496 0.000 -1.994) 7.757 3.736 ( -8.887 0.000 2.878) 9.342 4.027 ( -11.736 -0.000 -7.861) 14.125 4.240 ( 6.598 0.000 5.514) 8.599 4.463 ( 8.387 0.000 4.456) 9.497 4.620 ( -6.182 0.000 0.487) 6.201 4.913 ( -3.138 -0.000 4.863) 5.788 4.985 ( 12.102 0.000 2.021) 12.269 5.137 ( 10.530 -0.000 10.547) 14.903 5.166 ( -7.435 0.000 5.743) 9.395 5.602 ( 19.448 0.000 -4.064) 19.868 5.911 ( -10.671 -0.000 -12.376) 16.341 6.263 ( 2.068 -0.000 -8.175) 8.432 6.841 ( 17.919 0.000 -10.582) 20.810 7.155 ( 6.408 0.000 -4.017) 7.563 7.163 ( 7.970 -0.000 2.117) 8.247 7.553 ( 4.929 0.000 0.408) 4.946 7.681 ( 6.999 -0.000 8.577) 11.070 8.086 ( -5.811 0.000 1.870) 6.104 8.186 ( -0.910 0.000 -3.093) 3.224 8.484 ( 1.156 0.000 -0.868) 1.446 8.530 ( -3.041 -0.000 -1.279) 3.299 8.659 ( -13.839 0.000 2.903) 14.140 9.895 ( 5.516 0.000 -0.929) 5.594 10.227 ( -11.846 0.000 -6.276) 13.406 10.423 ( 5.001 0.000 -3.401) 6.048 10.703 ( -5.919 0.000 14.643) 15.794 11.522 ( 5.554 0.000 5.589) 7.879 11.938 ( -2.203 0.000 7.227) 7.555 20.279 ( 8.024 -0.000 9.317) 12.296 20.764 ( -8.566 0.000 2.603) 8.952 21.243 ( 1.481 0.000 -1.170) 1.887 21.351 ( -4.004 -0.000 -1.651) 4.331 21.486 ( 6.776 0.000 -1.462) 6.932 22.189 ( -14.842 0.000 -5.395) 15.792 22.540 ( 12.383 0.000 -8.093) 14.793 22.615 ( 7.265 0.000 -12.211) 14.209 23.442 ( -0.333 0.000 5.194) 5.205 23.962 ( -14.259 0.000 3.683) 14.726 24.337 ( 14.006 0.000 0.673) 14.022 24.599 ( 0.110 0.000 -1.235) 1.240 ======================= Grid point 98 (40/120) ======================= q-point: ( 0.44 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 14.699 0.000 6.928) 16.250 2.388 ( -19.103 0.000 5.689) 19.932 2.859 ( 4.210 -0.000 -6.588) 7.818 2.864 ( 4.916 0.000 -2.992) 5.755 3.234 ( 22.640 0.000 0.260) 22.641 3.314 ( 5.840 0.000 -3.063) 6.595 3.468 ( -7.239 -0.000 -2.144) 7.550 3.479 ( 2.976 0.000 16.062) 16.336 3.587 ( -5.931 -0.000 8.495) 10.360 3.711 ( -20.079 0.000 -5.611) 20.849 4.357 ( 5.937 0.000 0.278) 5.944 4.483 ( -7.145 0.000 -1.786) 7.364 4.645 ( 9.742 0.000 7.620) 12.368 4.817 ( -7.432 -0.000 8.661) 11.413 5.109 ( 0.488 -0.000 8.669) 8.683 5.113 ( 1.664 0.000 9.211) 9.360 5.399 ( 15.188 0.000 -1.615) 15.273 5.678 ( -13.334 -0.000 -7.739) 15.417 5.964 ( 16.959 0.000 -4.374) 17.514 6.211 ( -7.850 0.000 -6.473) 10.175 7.094 ( 8.231 0.000 -7.702) 11.272 7.199 ( -2.171 0.000 -5.391) 5.812 7.417 ( 15.313 0.000 0.911) 15.340 7.583 ( -1.983 0.000 1.988) 2.808 7.799 ( 6.381 0.000 6.376) 9.021 7.965 ( -8.329 0.000 1.499) 8.463 8.193 ( 1.931 0.000 -0.309) 1.956 8.304 ( -11.318 0.000 4.484) 12.174 8.525 ( 2.817 0.000 -2.628) 3.853 8.574 ( -1.805 0.000 -4.558) 4.903 9.977 ( 3.206 0.000 -6.182) 6.964 10.054 ( -5.909 0.000 -8.402) 10.272 10.494 ( 3.701 0.000 4.156) 5.565 10.587 ( -5.742 0.000 11.420) 12.782 11.673 ( 9.146 0.000 7.121) 11.591 11.840 ( -7.426 0.000 7.244) 10.374 20.439 ( 8.372 0.000 6.459) 10.574 20.601 ( -8.370 0.000 4.242) 9.384 21.263 ( 0.968 0.000 -0.891) 1.316 21.291 ( -2.196 -0.000 -0.907) 2.375 21.658 ( 10.942 0.000 -2.595) 11.245 21.902 ( -14.129 0.000 -3.961) 14.673 22.725 ( 5.351 0.000 -11.364) 12.561 22.733 ( 3.820 0.000 -12.052) 12.642 23.491 ( 6.308 0.000 7.217) 9.585 23.689 ( -13.247 0.000 6.172) 14.614 24.530 ( 6.196 0.000 -1.072) 6.288 24.595 ( -1.190 0.000 -1.388) 1.828 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 0.000 31.498) 31.498 1.328 ( 0.000 0.000 30.042) 30.042 2.584 ( 0.000 0.000 18.126) 18.126 2.632 ( 0.000 0.000 61.865) 61.865 2.979 ( 0.000 0.000 1.382) 1.382 3.078 ( 0.000 0.000 -4.654) 4.654 3.429 ( 0.000 0.000 -2.365) 2.365 3.599 ( 0.000 0.000 5.593) 5.593 3.634 ( 0.000 0.000 9.117) 9.117 3.733 ( 0.000 0.000 7.576) 7.576 4.320 ( 0.000 0.000 7.829) 7.829 4.377 ( 0.000 0.000 -1.441) 1.441 4.522 ( 0.000 0.000 -3.059) 3.059 4.723 ( 0.000 0.000 -8.698) 8.698 5.052 ( 0.000 0.000 10.090) 10.090 5.363 ( 0.000 0.000 -0.733) 0.733 5.374 ( 0.000 0.000 -14.334) 14.334 5.669 ( 0.000 0.000 10.036) 10.036 5.792 ( 0.000 0.000 -1.385) 1.385 6.044 ( 0.000 0.000 -16.553) 16.553 6.107 ( 0.000 0.000 -6.806) 6.806 6.619 ( 0.000 0.000 -8.146) 8.146 6.989 ( 0.000 0.000 6.341) 6.341 7.080 ( 0.000 0.000 -5.117) 5.117 7.458 ( 0.000 0.000 12.145) 12.145 8.278 ( 0.000 0.000 -3.127) 3.127 8.279 ( 0.000 0.000 0.211) 0.211 8.362 ( 0.000 0.000 -4.232) 4.232 8.751 ( 0.000 0.000 -4.424) 4.424 9.349 ( 0.000 0.000 -11.223) 11.223 9.550 ( 0.000 0.000 15.292) 15.292 10.915 ( 0.000 0.000 3.671) 3.671 11.068 ( 0.000 0.000 0.186) 0.186 11.384 ( 0.000 0.000 9.783) 9.783 11.407 ( 0.000 0.000 14.741) 14.741 11.436 ( 0.000 0.000 -7.894) 7.894 20.987 ( 0.000 0.000 -2.679) 2.679 21.041 ( 0.000 0.000 2.339) 2.339 21.136 ( 0.000 0.000 -0.420) 0.420 21.293 ( 0.000 0.000 4.043) 4.043 21.562 ( 0.000 0.000 -2.890) 2.890 21.624 ( 0.000 0.000 -7.776) 7.776 21.797 ( 0.000 0.000 -14.238) 14.238 22.505 ( 0.000 0.000 -17.160) 17.160 23.631 ( 0.000 0.000 4.045) 4.045 23.964 ( 0.000 0.000 7.252) 7.252 24.342 ( 0.000 0.000 1.016) 1.016 24.486 ( 0.000 0.000 -1.678) 1.678 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 12.211 0.000 29.531) 31.956 1.572 ( 19.069 0.000 24.091) 30.725 2.630 ( 6.326 0.000 26.250) 27.002 2.770 ( 13.220 0.000 46.387) 48.234 2.963 ( -2.043 0.000 1.704) 2.660 3.101 ( 2.317 0.000 -5.030) 5.538 3.418 ( -0.964 0.000 -1.853) 2.089 3.592 ( 0.197 0.000 7.310) 7.313 3.647 ( 1.477 0.000 8.097) 8.230 3.847 ( 8.745 0.000 4.803) 9.977 4.196 ( -8.448 0.000 5.311) 9.979 4.423 ( 0.898 0.000 -1.130) 1.444 4.589 ( 6.248 0.000 -2.506) 6.731 4.729 ( 0.687 0.000 -9.026) 9.052 5.086 ( 3.648 0.000 8.084) 8.868 5.310 ( -3.531 0.000 -6.607) 7.492 5.420 ( 2.315 0.000 -7.525) 7.873 5.703 ( 3.580 0.000 9.316) 9.980 5.794 ( -1.060 0.000 -3.752) 3.899 5.968 ( -4.355 0.000 -10.010) 10.916 6.168 ( 6.561 0.000 -6.402) 9.167 6.744 ( 10.654 0.000 -9.134) 14.034 7.034 ( 3.919 0.000 2.927) 4.892 7.137 ( 5.542 0.000 -6.022) 8.184 7.515 ( 5.721 0.000 11.983) 13.279 8.238 ( -4.186 0.000 -2.912) 5.099 8.259 ( -1.908 0.000 1.326) 2.323 8.374 ( 1.159 0.000 -4.445) 4.594 8.604 ( -9.705 0.000 -1.365) 9.801 9.441 ( -10.904 0.000 14.400) 18.063 9.500 ( 10.632 0.000 -14.503) 17.983 10.782 ( -13.956 0.000 -0.586) 13.968 11.042 ( -2.151 0.000 2.433) 3.248 11.188 ( -5.836 0.000 17.791) 18.724 11.472 ( 3.243 0.000 -6.239) 7.031 11.671 ( 12.918 0.000 9.974) 16.320 20.798 ( -15.606 0.000 14.203) 21.101 20.962 ( -2.496 0.000 -1.937) 3.159 21.147 ( 1.049 0.000 -0.642) 1.230 21.230 ( -3.005 0.000 4.553) 5.455 21.536 ( -5.534 0.000 -7.133) 9.028 21.809 ( 15.267 0.000 -9.647) 18.059 21.931 ( 10.159 0.000 -14.267) 17.514 22.437 ( -6.671 0.000 -15.633) 16.997 23.601 ( -2.098 0.000 5.321) 5.720 24.101 ( 11.204 0.000 1.047) 11.252 24.303 ( -4.011 0.000 1.377) 4.241 24.494 ( 0.872 0.000 -1.672) 1.885 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 18.782 0.000 26.023) 32.093 1.907 ( 15.131 0.000 17.588) 23.201 2.759 ( 6.570 0.000 24.710) 25.569 2.885 ( -6.073 0.000 2.319) 6.501 3.045 ( 6.124 0.000 15.225) 16.410 3.204 ( 9.063 0.000 4.659) 10.190 3.397 ( -1.293 0.000 -2.056) 2.429 3.650 ( 10.233 0.000 15.021) 18.176 3.684 ( 1.717 0.000 8.214) 8.392 4.030 ( 10.240 0.000 7.344) 12.602 4.037 ( -7.373 0.000 3.688) 8.243 4.417 ( -0.352 0.000 -4.450) 4.464 4.683 ( 0.809 0.000 -5.889) 5.945 4.789 ( 7.258 0.000 -7.158) 10.194 5.169 ( 3.882 0.000 3.509) 5.233 5.223 ( -5.636 0.000 -4.522) 7.226 5.436 ( -1.180 0.000 -9.048) 9.124 5.692 ( -8.156 0.000 -6.430) 10.385 5.811 ( 7.794 0.000 8.496) 11.529 5.995 ( 6.195 0.000 1.324) 6.334 6.369 ( 14.087 0.000 -5.276) 15.043 6.955 ( 9.773 0.000 -8.441) 12.913 7.116 ( 4.476 0.000 0.281) 4.484 7.276 ( 8.293 0.000 -8.313) 11.742 7.662 ( 8.929 0.000 10.339) 13.661 8.137 ( -5.056 0.000 -2.633) 5.700 8.211 ( -2.945 0.000 4.270) 5.187 8.402 ( 1.610 0.000 -4.939) 5.195 8.475 ( -3.865 0.000 -0.484) 3.895 9.153 ( -18.135 0.000 12.103) 21.803 9.659 ( 5.255 0.000 -17.389) 18.165 10.443 ( -19.260 0.000 -4.244) 19.722 11.004 ( -1.463 0.000 6.305) 6.472 11.125 ( -2.042 0.000 19.303) 19.411 11.553 ( 5.174 0.000 -1.663) 5.435 11.870 ( 7.338 0.000 8.890) 11.527 20.604 ( -4.395 0.000 17.781) 18.316 20.898 ( -3.938 0.000 0.105) 3.939 21.172 ( 1.268 0.000 -0.972) 1.597 21.176 ( -2.534 0.000 4.078) 4.801 21.458 ( -2.231 0.000 -5.107) 5.573 22.049 ( 7.517 0.000 -13.068) 15.076 22.136 ( 10.639 0.000 -15.013) 18.401 22.286 ( -6.140 0.000 -10.614) 12.261 23.568 ( -1.186 0.000 6.192) 6.304 24.190 ( -7.639 0.000 2.651) 8.086 24.314 ( 9.869 0.000 -3.998) 10.648 24.517 ( 1.433 0.000 -1.944) 2.415 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 20.531 0.000 22.756) 30.649 2.169 ( 12.084 0.000 9.048) 15.096 2.742 ( -8.199 0.000 2.560) 8.589 2.876 ( 3.040 0.000 18.201) 18.453 3.051 ( -1.113 0.000 13.928) 13.972 3.252 ( -0.856 0.000 1.997) 2.173 3.356 ( -3.122 0.000 -2.980) 4.316 3.660 ( -6.051 0.000 12.239) 13.653 3.952 ( 0.013 0.000 -0.335) 0.335 3.985 ( 14.663 0.000 8.353) 16.875 4.271 ( 17.114 0.000 15.130) 22.843 4.449 ( 4.021 0.000 -6.011) 7.232 4.661 ( -1.971 0.000 -7.406) 7.664 4.959 ( 9.321 0.000 -6.326) 11.265 5.093 ( -7.740 0.000 -1.214) 7.835 5.209 ( 0.316 0.000 -0.427) 0.531 5.372 ( -5.063 0.000 -11.453) 12.522 5.523 ( -9.131 0.000 -0.279) 9.136 6.001 ( 11.207 0.000 7.950) 13.740 6.141 ( 7.603 0.000 3.785) 8.493 6.671 ( 15.180 0.000 -4.403) 15.806 7.077 ( 2.128 0.000 -6.122) 6.482 7.229 ( 8.403 0.000 0.905) 8.452 7.438 ( 7.982 0.000 -9.774) 12.619 7.837 ( 8.621 0.000 6.768) 10.960 8.078 ( -0.651 0.000 -1.871) 1.981 8.151 ( -3.213 0.000 7.539) 8.195 8.427 ( 0.454 0.000 -5.602) 5.621 8.431 ( -1.021 0.000 -0.713) 1.246 8.772 ( -20.338 0.000 9.165) 22.308 9.710 ( 0.589 0.000 -18.999) 19.008 10.084 ( -16.935 0.000 -8.573) 18.982 10.990 ( 0.072 0.000 10.714) 10.714 11.086 ( -2.197 0.000 19.014) 19.140 11.672 ( 6.973 0.000 2.603) 7.443 11.951 ( 1.085 0.000 7.891) 7.965 20.593 ( 2.214 0.000 14.621) 14.788 20.818 ( -4.243 0.000 3.131) 5.273 21.140 ( -1.064 0.000 3.318) 3.485 21.183 ( -0.350 0.000 -0.695) 0.778 21.463 ( 2.986 0.000 -4.095) 5.068 21.968 ( -10.964 0.000 -10.942) 15.490 22.326 ( 8.632 0.000 -15.455) 17.703 22.353 ( 8.166 0.000 -11.170) 13.837 23.566 ( 1.474 0.000 7.545) 7.687 24.015 ( -10.257 0.000 4.770) 11.311 24.467 ( 5.943 0.000 -5.212) 7.904 24.546 ( 1.374 0.000 -2.665) 2.999 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 16.405 0.000 17.925) 24.299 2.369 ( 8.337 0.000 4.565) 9.505 2.594 ( -5.463 0.000 4.075) 6.815 2.734 ( -13.887 0.000 14.262) 19.906 3.169 ( 9.590 0.000 14.393) 17.295 3.274 ( 4.327 0.000 3.211) 5.388 3.284 ( -4.032 0.000 -2.324) 4.654 3.464 ( -12.404 0.000 13.945) 18.663 4.017 ( 5.025 0.000 -0.248) 5.031 4.090 ( -1.078 0.000 1.002) 1.472 4.550 ( 5.273 0.000 -6.507) 8.376 4.621 ( -1.273 0.000 -8.455) 8.550 4.650 ( 17.060 0.000 14.098) 22.132 4.920 ( -10.632 0.000 4.194) 11.429 5.133 ( 8.239 0.000 -5.418) 9.861 5.216 ( 2.137 0.000 -2.906) 3.607 5.259 ( -6.105 0.000 -9.149) 10.999 5.343 ( -9.209 0.000 0.490) 9.222 6.196 ( 7.376 0.000 6.947) 10.132 6.246 ( 2.206 0.000 5.242) 5.687 6.898 ( 8.637 0.000 -4.175) 9.593 7.037 ( -5.562 0.000 -4.476) 7.140 7.446 ( 11.467 0.000 0.313) 11.471 7.546 ( 1.662 0.000 -6.416) 6.628 7.971 ( 5.567 0.000 1.118) 5.678 8.078 ( -4.779 0.000 7.113) 8.569 8.133 ( 6.783 0.000 3.171) 7.488 8.342 ( -12.939 0.000 -0.592) 12.953 8.432 ( 1.134 0.000 -1.281) 1.711 8.477 ( -5.094 0.000 1.564) 5.329 9.721 ( 1.812 0.000 -17.867) 17.959 9.823 ( -9.464 0.000 -13.720) 16.667 11.006 ( 1.444 0.000 14.714) 14.785 11.042 ( -2.195 0.000 17.520) 17.657 11.810 ( 6.884 0.000 5.219) 8.639 11.919 ( -4.039 0.000 6.765) 7.879 20.658 ( 3.954 0.000 10.566) 11.282 20.737 ( -4.137 0.000 6.699) 7.874 21.137 ( 0.746 0.000 2.105) 2.233 21.162 ( -1.523 0.000 0.602) 1.637 21.569 ( 7.762 0.000 -4.999) 9.233 21.751 ( -10.732 0.000 -7.290) 12.974 22.454 ( 4.124 0.000 -15.502) 16.041 22.469 ( 2.850 0.000 -14.341) 14.621 23.641 ( 6.534 0.000 8.440) 10.674 23.810 ( -10.338 0.000 7.173) 12.582 24.545 ( 2.303 0.000 -4.768) 5.295 24.563 ( 0.213 0.000 -3.720) 3.726 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 22.367 23.835) 32.686 1.430 ( 0.000 9.406 29.274) 30.748 2.569 ( 0.000 -2.656 15.477) 15.703 2.676 ( 0.000 3.660 54.705) 54.827 2.999 ( 0.000 2.212 1.520) 2.684 3.127 ( 0.000 4.620 -3.353) 5.709 3.394 ( 0.000 -1.235 4.752) 4.910 3.673 ( 0.000 5.254 6.487) 8.348 3.702 ( 0.000 7.699 2.538) 8.106 3.877 ( 0.000 12.173 8.215) 14.686 4.284 ( 0.000 -2.985 5.566) 6.316 4.403 ( 0.000 1.100 -1.083) 1.544 4.547 ( 0.000 1.923 -1.369) 2.360 4.688 ( 0.000 -1.881 -6.405) 6.676 5.052 ( 0.000 0.402 9.019) 9.028 5.295 ( 0.000 -7.028 -6.700) 9.710 5.318 ( 0.000 -5.542 -14.175) 15.220 5.533 ( 0.000 -9.991 8.536) 13.141 5.860 ( 0.000 3.615 -0.093) 3.616 6.033 ( 0.000 0.088 -13.512) 13.512 6.145 ( 0.000 1.436 -8.975) 9.089 6.611 ( 0.000 -0.783 -8.852) 8.887 6.978 ( 0.000 -0.919 6.519) 6.583 7.056 ( 0.000 -2.117 -5.156) 5.573 7.478 ( 0.000 2.142 11.638) 11.834 8.265 ( 0.000 -0.575 -2.788) 2.846 8.299 ( 0.000 1.099 -0.516) 1.214 8.377 ( 0.000 1.546 -3.392) 3.728 8.727 ( 0.000 -2.386 -2.777) 3.661 9.352 ( 0.000 0.263 -11.258) 11.261 9.551 ( 0.000 0.105 15.388) 15.388 10.663 ( 0.000 -24.759 11.390) 27.253 10.911 ( 0.000 -0.572 3.684) 3.728 11.409 ( 0.000 0.268 12.184) 12.187 11.436 ( 0.000 -0.048 -5.041) 5.041 11.586 ( 0.000 8.953 6.325) 10.962 20.775 ( 0.000 -14.297 10.060) 17.482 21.038 ( 0.000 -0.209 1.607) 1.620 21.141 ( 0.000 0.402 1.058) 1.132 21.301 ( 0.000 0.695 3.335) 3.406 21.525 ( 0.000 -0.842 -9.320) 9.358 21.786 ( 0.000 8.415 -7.317) 11.151 21.799 ( 0.000 0.220 -14.161) 14.163 22.521 ( 0.000 1.393 -18.121) 18.174 23.632 ( 0.000 0.073 4.080) 4.080 23.830 ( 0.000 -8.764 13.583) 16.165 24.345 ( 0.000 0.220 1.127) 1.148 24.585 ( 0.000 6.184 -6.684) 9.106 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 7.200 15.739 23.220) 28.961 1.682 ( 17.550 10.407 24.811) 32.123 2.620 ( 6.104 -2.713 17.052) 18.313 2.808 ( 12.096 2.336 43.563) 45.271 2.986 ( -0.734 2.848 2.782) 4.049 3.131 ( 0.262 3.210 -3.329) 4.632 3.401 ( 1.060 0.018 5.447) 5.549 3.640 ( -2.808 4.246 4.082) 6.525 3.740 ( 3.233 7.988 7.860) 11.664 3.930 ( 3.530 8.039 4.772) 9.993 4.227 ( -3.866 2.461 5.757) 7.359 4.418 ( 1.038 -1.349 -2.078) 2.686 4.616 ( 5.380 2.413 -1.444) 6.071 4.695 ( 1.115 -1.871 -7.156) 7.480 5.064 ( 1.471 -1.458 7.611) 7.888 5.231 ( -3.107 -8.153 -3.889) 9.552 5.346 ( 1.019 -6.196 -10.917) 12.594 5.613 ( 6.526 -7.034 5.997) 11.315 5.855 ( -2.900 3.351 -4.885) 6.596 5.965 ( -3.606 -0.042 -8.473) 9.208 6.176 ( 5.372 -0.018 -6.701) 8.589 6.745 ( 11.067 -0.120 -9.307) 14.461 7.026 ( 4.244 -0.668 2.981) 5.229 7.115 ( 5.811 -1.828 -6.132) 8.644 7.531 ( 5.354 1.707 11.942) 13.198 8.233 ( -3.626 -0.332 -3.015) 4.728 8.273 ( -2.174 1.050 0.920) 2.584 8.387 ( 0.883 1.315 -3.437) 3.785 8.605 ( -8.182 -0.162 -0.872) 8.230 9.441 ( -10.204 0.008 13.534) 16.950 9.497 ( 9.720 -0.425 -13.294) 16.474 10.695 ( 1.308 -20.469 8.160) 22.075 10.786 ( -11.211 -2.106 2.622) 11.704 11.257 ( -7.428 2.085 16.690) 18.387 11.448 ( 1.989 -1.048 -5.687) 6.115 11.785 ( 11.532 6.643 7.405) 15.230 20.651 ( -8.582 -9.463 15.710) 20.248 21.020 ( -3.082 2.740 0.214) 4.130 21.140 ( 0.809 -0.626 -0.045) 1.024 21.265 ( -2.546 2.734 2.995) 4.788 21.496 ( -3.039 -2.483 -7.259) 8.252 21.881 ( 10.166 4.614 -10.414) 15.267 21.933 ( 9.784 0.470 -13.266) 16.490 22.451 ( -6.967 1.174 -16.457) 17.910 23.599 ( -2.078 -0.192 5.528) 5.908 23.979 ( 12.306 -7.994 6.942) 16.234 24.324 ( -2.547 0.793 0.749) 2.771 24.557 ( -2.059 4.325 -4.739) 6.738 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 13.691 8.345 21.209) 26.587 1.996 ( 14.619 8.329 18.528) 25.028 2.736 ( 4.113 -3.682 13.917) 14.972 2.922 ( -1.252 4.022 8.508) 9.494 3.098 ( 5.050 2.121 13.995) 15.029 3.155 ( 4.847 -2.630 0.890) 5.586 3.442 ( 1.319 4.420 4.998) 6.801 3.602 ( 2.585 0.535 9.747) 10.098 3.827 ( 4.587 2.250 10.687) 11.846 3.947 ( 0.480 7.274 7.898) 10.748 4.212 ( 2.443 7.197 3.009) 8.174 4.440 ( 1.431 1.036 -2.418) 2.995 4.618 ( -3.349 -4.734 -6.558) 8.754 4.815 ( 9.295 2.548 -4.632) 10.694 5.094 ( 0.309 -4.145 0.784) 4.230 5.214 ( 1.250 -4.262 2.487) 5.090 5.361 ( 0.831 -5.510 -6.867) 8.844 5.667 ( -8.104 -1.690 -8.142) 11.612 5.783 ( 5.780 -3.512 3.414) 7.576 6.009 ( 5.495 1.112 0.552) 5.633 6.362 ( 13.641 -0.878 -6.059) 14.952 6.956 ( 9.495 -0.350 -8.173) 12.532 7.114 ( 4.736 -0.261 0.476) 4.767 7.264 ( 9.146 -0.704 -8.667) 12.619 7.670 ( 8.497 0.974 10.633) 13.646 8.142 ( -4.635 0.506 -2.916) 5.499 8.222 ( -3.098 0.781 3.737) 4.917 8.405 ( 0.808 0.629 -3.223) 3.382 8.498 ( -2.851 1.699 -0.964) 3.456 9.155 ( -18.078 0.198 12.205) 21.813 9.655 ( 5.435 -0.494 -17.217) 18.061 10.439 ( -18.867 -0.437 -3.928) 19.276 10.786 ( 3.530 -16.198 10.005) 19.364 11.158 ( -3.820 0.993 18.575) 18.990 11.515 ( 5.175 -2.052 -1.117) 5.678 11.955 ( 5.697 5.559 7.663) 11.048 20.546 ( -1.795 -4.266 17.153) 17.766 20.932 ( -5.335 2.208 1.146) 5.887 21.164 ( 1.025 -0.077 -0.265) 1.061 21.222 ( -1.605 3.525 2.009) 4.363 21.447 ( -1.334 -0.925 -4.742) 5.012 22.079 ( 7.300 2.403 -12.518) 14.689 22.136 ( 10.669 0.006 -14.774) 18.223 22.288 ( -7.214 0.228 -11.471) 13.553 23.567 ( -1.136 -0.076 6.184) 6.288 24.170 ( -0.391 -2.051 2.854) 3.536 24.279 ( 4.528 -2.355 -1.549) 5.333 24.536 ( 0.066 1.440 -2.613) 2.985 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 16.689 0.996 18.468) 24.912 2.259 ( 12.710 7.994 10.380) 18.253 2.728 ( -4.875 -0.970 3.466) 6.060 2.905 ( -3.089 1.524 12.698) 13.157 3.112 ( 1.766 4.858 13.546) 14.498 3.202 ( 0.703 -2.841 0.237) 2.937 3.402 ( -3.523 3.009 -1.540) 4.882 3.691 ( -1.339 2.754 13.010) 13.366 3.794 ( -0.668 -7.948 5.136) 9.487 4.111 ( 4.855 5.071 3.251) 7.737 4.321 ( 12.802 3.917 10.567) 17.056 4.478 ( 3.055 0.732 -1.185) 3.357 4.587 ( 1.448 -3.574 -5.946) 7.087 4.972 ( 4.447 -0.344 -1.147) 4.606 5.089 ( 1.516 1.235 -5.780) 6.101 5.203 ( -3.271 -0.028 2.640) 4.203 5.389 ( 1.124 -1.681 -1.776) 2.692 5.485 ( -8.494 -0.469 -10.182) 13.268 5.953 ( 10.168 -5.361 8.533) 14.316 6.123 ( 5.566 -1.070 1.492) 5.861 6.665 ( 15.750 -0.545 -5.471) 16.682 7.079 ( 2.648 -0.219 -6.726) 7.231 7.232 ( 8.612 0.047 1.270) 8.705 7.442 ( 8.453 0.589 -9.241) 12.537 7.833 ( 7.699 -0.284 6.728) 10.229 8.083 ( -1.308 0.624 -2.043) 2.505 8.158 ( -3.188 0.258 6.321) 7.084 8.415 ( 0.208 0.513 -1.921) 1.999 8.473 ( -0.608 2.175 -2.841) 3.629 8.776 ( -20.063 0.382 9.249) 22.095 9.709 ( 0.784 -0.090 -18.930) 18.946 10.085 ( -16.747 0.045 -8.355) 18.715 10.851 ( 3.283 -11.134 11.977) 16.679 11.087 ( -3.807 -0.790 18.776) 19.174 11.645 ( 7.972 -1.673 2.990) 8.677 12.003 ( -0.546 3.758 7.425) 8.340 20.565 ( 3.079 -2.165 14.217) 14.707 20.829 ( -5.224 0.664 3.786) 6.486 21.167 ( -0.355 2.087 1.605) 2.657 21.207 ( -0.490 2.448 -0.292) 2.514 21.463 ( 3.282 -0.042 -3.789) 5.013 21.986 ( -11.509 1.612 -10.782) 15.853 22.326 ( 8.594 0.041 -15.663) 17.865 22.351 ( 8.337 -0.140 -11.266) 14.016 23.566 ( 1.487 -0.026 7.490) 7.636 24.020 ( -10.434 0.529 4.660) 11.440 24.434 ( 7.107 -2.882 -4.020) 8.659 24.550 ( 1.009 0.334 -2.724) 2.924 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 14.932 -2.121 12.683) 19.706 2.483 ( 9.719 6.989 8.271) 14.550 2.590 ( -7.662 -0.169 3.386) 8.378 2.730 ( -12.313 0.899 12.490) 17.562 3.216 ( 3.826 1.366 0.379) 4.080 3.270 ( 8.392 3.412 9.653) 13.238 3.331 ( -2.453 2.427 0.305) 3.464 3.520 ( -11.743 4.797 14.243) 19.073 3.895 ( 7.517 -8.708 3.177) 11.934 4.046 ( -7.206 -5.534 0.101) 9.086 4.507 ( 3.636 -4.653 -6.469) 8.759 4.607 ( 2.527 -2.442 -2.547) 4.341 4.687 ( 11.695 3.803 8.802) 15.123 4.949 ( -5.585 3.155 8.010) 10.262 5.115 ( 0.771 -3.179 -5.572) 6.461 5.178 ( -0.279 3.783 -2.410) 4.495 5.338 ( -2.568 3.089 -1.875) 4.433 5.411 ( -1.222 4.809 -7.406) 8.914 6.132 ( 6.972 -5.891 7.778) 11.992 6.194 ( 0.962 -4.095 3.927) 5.755 6.906 ( 9.115 0.792 -5.583) 10.718 7.053 ( -4.782 1.069 -5.331) 7.241 7.455 ( 11.791 0.683 0.993) 11.852 7.554 ( 1.957 0.867 -5.479) 5.882 7.950 ( 4.685 -1.899 1.357) 5.234 8.046 ( -4.222 -2.125 5.350) 7.139 8.157 ( 4.892 1.236 2.336) 5.561 8.342 ( -12.182 0.209 -0.606) 12.199 8.453 ( 0.204 1.784 0.998) 2.054 8.503 ( -3.976 2.035 1.053) 4.588 9.723 ( 1.851 0.178 -17.807) 17.904 9.826 ( -9.345 0.290 -13.622) 16.522 10.915 ( 3.159 -7.107 15.352) 17.210 11.013 ( -3.456 -3.282 17.465) 18.104 11.806 ( 8.168 -0.183 5.390) 9.788 11.942 ( -5.483 1.720 6.690) 8.819 20.641 ( 4.382 -1.278 10.495) 11.444 20.733 ( -4.686 -0.418 7.100) 8.517 21.167 ( 0.519 2.606 1.172) 2.904 21.190 ( -1.119 2.440 0.425) 2.718 21.574 ( 8.008 0.445 -4.889) 9.393 21.762 ( -11.021 0.975 -7.213) 13.208 22.453 ( 4.021 -0.032 -15.546) 16.057 22.469 ( 2.977 0.034 -14.516) 14.818 23.641 ( 6.565 0.005 8.385) 10.649 23.812 ( -10.486 0.167 7.103) 12.666 24.530 ( 2.920 -1.254 -4.294) 5.342 24.562 ( -0.048 -0.234 -3.649) 3.657 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 12.624 28.978) 31.608 1.898 ( 0.000 21.933 16.581) 27.495 2.445 ( 0.000 -8.732 11.259) 14.248 2.673 ( 0.000 -6.508 35.328) 35.923 3.072 ( 0.000 4.072 -0.104) 4.073 3.216 ( 0.000 2.754 -2.115) 3.472 3.523 ( 0.000 15.686 21.328) 26.476 3.842 ( 0.000 10.561 3.457) 11.112 3.845 ( 0.000 5.210 0.561) 5.240 4.174 ( 0.000 13.577 3.495) 14.020 4.210 ( 0.000 -4.514 4.513) 6.383 4.336 ( 0.000 -6.273 -0.387) 6.285 4.565 ( 0.000 -1.438 -0.762) 1.627 4.746 ( 0.000 7.784 3.466) 8.521 5.051 ( 0.000 -1.578 4.005) 4.304 5.114 ( 0.000 -7.669 -8.642) 11.554 5.146 ( 0.000 -10.790 -9.317) 14.256 5.303 ( 0.000 -11.664 3.098) 12.069 5.912 ( 0.000 1.483 -0.687) 1.635 6.048 ( 0.000 1.223 -11.921) 11.984 6.134 ( 0.000 -2.067 -9.814) 10.029 6.593 ( 0.000 -0.756 -10.454) 10.481 6.960 ( 0.000 -0.647 6.927) 6.958 7.011 ( 0.000 -1.879 -5.307) 5.630 7.539 ( 0.000 3.130 9.290) 9.803 8.254 ( 0.000 -0.401 -3.467) 3.490 8.319 ( 0.000 0.804 -0.625) 1.019 8.430 ( 0.000 3.610 -1.110) 3.777 8.652 ( 0.000 -4.801 -0.082) 4.801 9.358 ( 0.000 0.284 -11.479) 11.483 9.553 ( 0.000 0.084 15.696) 15.696 10.255 ( 0.000 -13.459 13.554) 19.101 10.899 ( 0.000 -0.538 3.857) 3.894 11.417 ( 0.000 0.408 4.265) 4.285 11.434 ( 0.000 -0.146 3.492) 3.495 11.701 ( 0.000 2.989 8.915) 9.403 20.545 ( 0.000 -7.313 17.435) 18.907 21.034 ( 0.000 -0.182 0.537) 0.567 21.149 ( 0.000 0.355 3.442) 3.461 21.317 ( 0.000 0.700 2.087) 2.201 21.516 ( 0.000 -0.217 -10.963) 10.965 21.804 ( 0.000 0.233 -13.996) 13.998 21.905 ( 0.000 3.350 -6.671) 7.465 22.550 ( 0.000 1.160 -19.219) 19.254 23.634 ( 0.000 0.075 4.150) 4.151 23.695 ( 0.000 -4.072 16.014) 16.523 24.350 ( 0.000 0.220 1.348) 1.366 24.678 ( 0.000 2.836 -8.518) 8.977 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 6.737 15.987 18.553) 25.401 1.968 ( 10.037 15.521 22.462) 29.090 2.489 ( 5.075 -8.920 11.399) 15.338 2.758 ( 8.073 -8.307 27.606) 29.937 3.063 ( -0.856 3.748 0.062) 3.845 3.200 ( -1.459 1.795 -2.290) 3.255 3.555 ( 3.422 15.812 22.981) 28.104 3.772 ( -4.768 7.982 1.724) 9.456 3.874 ( -0.337 4.850 2.642) 5.533 4.152 ( 0.035 8.413 1.674) 8.579 4.275 ( 2.723 2.606 7.401) 8.306 4.316 ( 0.433 -6.968 0.015) 6.981 4.668 ( 8.716 1.347 1.134) 8.893 4.735 ( -1.528 6.157 -3.224) 7.116 5.001 ( -3.882 -7.013 4.736) 9.310 5.045 ( -1.038 -5.697 -2.824) 6.443 5.198 ( 4.018 -7.238 -5.666) 10.032 5.424 ( 7.755 -10.680 -0.517) 13.209 5.888 ( -5.282 -0.104 -3.720) 6.461 5.985 ( -2.335 1.954 -10.423) 10.858 6.156 ( 5.037 -1.496 -8.222) 9.758 6.731 ( 10.856 -1.158 -9.021) 14.162 7.011 ( 4.434 -0.697 4.140) 6.106 7.080 ( 6.953 -1.240 -6.998) 9.943 7.581 ( 4.431 2.652 10.384) 11.597 8.227 ( -2.910 -0.238 -3.285) 4.395 8.295 ( -2.350 0.931 0.262) 2.541 8.432 ( 0.158 3.099 -1.263) 3.350 8.582 ( -4.822 -2.383 0.273) 5.386 9.443 ( -9.394 0.260 12.743) 15.833 9.482 ( 8.188 -0.960 -11.505) 14.154 10.316 ( 5.893 -13.312 12.279) 19.045 10.770 ( -13.143 -0.508 0.880) 13.182 11.282 ( -7.863 0.660 18.393) 20.014 11.434 ( 1.203 -0.383 -6.230) 6.357 11.880 ( 11.288 2.717 8.523) 14.403 20.495 ( -3.287 -5.144 17.943) 18.953 21.062 ( -0.776 1.612 0.735) 1.934 21.122 ( -0.335 -1.134 1.138) 1.641 21.317 ( -0.125 2.036 1.432) 2.492 21.459 ( -3.550 -1.076 -7.715) 8.560 21.924 ( 9.867 0.294 -14.887) 17.862 21.973 ( 6.716 2.328 -7.422) 10.277 22.477 ( -7.284 1.119 -17.679) 19.154 23.594 ( -1.888 -0.257 6.037) 6.331 23.852 ( 12.787 -4.024 10.166) 16.824 24.333 ( -2.230 0.204 1.076) 2.484 24.628 ( -4.231 2.336 -6.244) 7.896 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 4.212 10.809 14.010) 18.190 2.224 ( 13.609 12.968 18.529) 26.395 2.619 ( 7.072 -6.790 10.501) 14.366 2.936 ( 8.100 -7.441 11.760) 16.102 3.037 ( -1.942 0.145 3.153) 3.706 3.177 ( -0.319 0.049 -1.794) 1.823 3.596 ( -3.710 9.827 9.206) 13.967 3.696 ( 0.266 7.956 12.797) 15.071 3.843 ( -2.371 2.801 6.118) 7.134 4.164 ( 0.004 2.400 0.846) 2.545 4.271 ( 1.166 0.298 -0.617) 1.353 4.419 ( 6.587 1.490 11.769) 13.569 4.622 ( -5.928 4.207 -5.058) 8.855 4.850 ( 5.703 -0.733 2.030) 6.098 5.040 ( 6.312 -1.329 -1.201) 6.561 5.089 ( 6.992 -3.682 3.254) 8.546 5.270 ( 2.411 -3.107 -4.101) 5.682 5.537 ( 3.749 -11.337 6.104) 13.410 5.738 ( -6.143 -0.180 -13.677) 14.994 6.032 ( 4.731 1.028 -3.096) 5.747 6.337 ( 13.633 -1.262 -7.794) 15.754 6.931 ( 9.020 -1.824 -7.195) 11.681 7.101 ( 4.788 -0.929 1.970) 5.260 7.262 ( 11.036 0.421 -9.833) 14.787 7.701 ( 7.332 1.675 10.157) 12.638 8.155 ( -3.789 0.558 -3.186) 4.982 8.234 ( -3.897 0.392 2.513) 4.653 8.435 ( 0.209 2.116 -1.096) 2.392 8.521 ( -1.445 0.171 -0.316) 1.489 9.161 ( -17.980 0.310 12.593) 21.954 9.638 ( 5.959 -0.996 -16.444) 17.519 10.417 ( -9.688 -3.223 0.755) 10.238 10.486 ( -1.041 -9.144 6.688) 11.377 11.166 ( -5.087 0.031 19.841) 20.482 11.488 ( 4.736 -0.751 -1.377) 4.989 12.042 ( 4.907 2.722 7.867) 9.663 20.470 ( 1.005 -2.672 16.784) 17.025 20.965 ( -6.713 0.942 2.511) 7.229 21.164 ( 2.536 -0.009 -1.509) 2.951 21.304 ( -1.233 4.048 0.075) 4.232 21.421 ( -0.190 -1.640 -3.607) 3.967 22.121 ( 8.699 1.002 -13.579) 16.158 22.142 ( 10.158 0.878 -11.513) 15.378 22.295 ( -9.794 0.401 -13.716) 16.858 23.565 ( -1.028 -0.076 6.157) 6.243 24.116 ( 11.778 -2.504 3.754) 12.613 24.246 ( -5.594 -0.867 1.055) 5.759 24.564 ( -1.623 1.127 -3.122) 3.695 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 9.537 2.553 13.670) 16.863 2.471 ( 11.639 11.944 8.537) 18.735 2.713 ( 0.501 -0.487 4.892) 4.942 2.912 ( -7.275 -0.782 9.109) 11.684 3.094 ( 6.309 -4.813 4.204) 8.980 3.205 ( 3.528 -1.271 0.842) 3.843 3.484 ( -5.709 5.531 -0.488) 7.964 3.694 ( -1.676 1.101 8.884) 9.107 3.788 ( -3.215 4.992 14.097) 15.296 4.077 ( -8.896 -8.365 -2.250) 12.417 4.337 ( 3.265 -3.066 -4.323) 6.225 4.522 ( 2.444 4.591 6.213) 8.103 4.611 ( 6.393 3.684 8.107) 10.962 4.949 ( 6.618 1.133 0.586) 6.740 5.129 ( 0.431 0.321 6.615) 6.637 5.246 ( 4.841 2.929 -0.506) 5.681 5.297 ( 3.840 -3.160 -0.236) 4.979 5.528 ( -3.654 2.560 -13.102) 13.841 5.776 ( 9.448 -10.593 6.484) 15.605 6.116 ( 3.064 0.174 -3.058) 4.332 6.653 ( 17.245 -0.498 -7.394) 18.770 7.061 ( 3.975 -1.283 -7.186) 8.311 7.224 ( 9.175 -0.735 2.471) 9.531 7.466 ( 9.128 1.459 -8.702) 12.696 7.831 ( 5.404 0.096 6.253) 8.265 8.103 ( -1.986 1.160 -1.694) 2.856 8.152 ( -3.662 -0.806 3.836) 5.365 8.444 ( 0.656 2.000 -0.236) 2.118 8.504 ( -1.052 0.637 -1.842) 2.215 8.786 ( -19.543 0.451 9.709) 21.827 9.705 ( 1.394 -0.284 -18.547) 18.602 10.087 ( -16.435 0.191 -7.941) 18.254 10.619 ( 7.783 -9.560 12.170) 17.323 11.060 ( -6.096 -1.333 19.652) 20.619 11.620 ( 8.736 -0.717 3.104) 9.299 12.067 ( -2.093 2.156 7.355) 7.945 20.525 ( 4.201 -1.494 13.926) 14.622 20.836 ( -6.353 0.113 4.612) 7.851 21.201 ( 1.337 1.160 -1.125) 2.098 21.276 ( -1.620 3.487 -0.360) 3.862 21.458 ( 4.209 -0.446 -2.870) 5.114 22.022 ( -12.515 1.579 -10.403) 16.350 22.328 ( 8.487 0.080 -16.107) 18.207 22.348 ( 8.733 -0.146 -11.493) 14.435 23.565 ( 1.522 -0.020 7.377) 7.532 24.033 ( -11.025 0.629 4.386) 11.882 24.370 ( 9.392 -2.730 -1.858) 9.955 24.557 ( 0.281 0.312 -2.796) 2.828 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 14.519 -1.663 11.469) 18.577 2.544 ( -14.025 -1.822 6.478) 15.555 2.666 ( 6.592 8.624 4.368) 11.701 2.819 ( -3.276 6.493 7.063) 10.138 3.216 ( 5.894 -0.539 -3.656) 6.956 3.308 ( 1.472 -1.126 -1.856) 2.623 3.407 ( 3.026 2.896 5.388) 6.824 3.604 ( -8.598 2.123 8.355) 12.175 3.771 ( 2.660 -0.650 11.824) 12.137 3.888 ( -8.594 -8.411 2.746) 12.334 4.394 ( 2.727 -5.053 -4.639) 7.382 4.507 ( -2.403 -6.553 -2.178) 7.312 4.779 ( 8.328 4.843 9.699) 13.671 5.021 ( -6.119 1.382 10.730) 12.429 5.121 ( 7.150 5.152 -0.145) 8.814 5.282 ( -2.280 4.585 1.566) 5.355 5.377 ( 3.111 0.673 -2.531) 4.067 5.475 ( -1.306 0.841 -9.240) 9.370 5.986 ( 9.899 -6.691 5.959) 13.352 6.125 ( -2.593 -2.186 -0.454) 3.422 6.925 ( 10.150 0.862 -7.274) 12.517 7.066 ( -3.460 0.203 -6.797) 7.630 7.466 ( 13.274 0.280 2.570) 13.523 7.581 ( 1.807 1.563 -3.546) 4.276 7.905 ( 3.177 -2.104 1.356) 4.044 8.009 ( -6.827 -1.289 3.508) 7.783 8.172 ( 5.102 0.376 0.372) 5.130 8.350 ( -12.564 0.455 0.022) 12.573 8.490 ( 1.305 1.515 1.477) 2.485 8.541 ( -3.743 1.368 2.467) 4.687 9.727 ( 2.109 0.235 -17.676) 17.803 9.833 ( -9.240 0.297 -13.415) 16.292 10.768 ( 7.430 -6.013 15.676) 18.360 10.931 ( -6.964 -3.814 18.213) 19.868 11.805 ( 9.707 0.018 5.526) 11.170 11.973 ( -7.244 1.117 6.689) 9.924 20.617 ( 5.099 -0.900 10.628) 11.822 20.722 ( -5.510 -0.514 7.531) 9.345 21.221 ( 0.902 2.102 -0.401) 2.323 21.245 ( -1.381 2.524 -0.132) 2.880 21.585 ( 8.671 0.445 -4.566) 9.810 21.784 ( -11.636 0.984 -7.083) 13.658 22.454 ( 3.991 0.084 -15.798) 16.295 22.469 ( 3.051 -0.047 -14.725) 15.037 23.642 ( 6.645 0.026 8.271) 10.610 23.816 ( -10.796 0.171 6.968) 12.851 24.504 ( 4.423 -1.097 -3.492) 5.741 24.555 ( -0.897 -0.333 -3.420) 3.551 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 -0.000 31.765) 31.765 2.212 ( 0.000 0.000 5.866) 5.866 2.312 ( 0.000 0.000 7.146) 7.146 2.505 ( 0.000 0.000 38.006) 38.006 3.121 ( 0.000 0.000 -1.689) 1.689 3.246 ( 0.000 0.000 -0.992) 0.992 3.820 ( 0.000 -0.000 25.362) 25.362 3.895 ( 0.000 0.000 1.415) 1.415 4.076 ( 0.000 0.000 1.644) 1.644 4.086 ( 0.000 -0.000 -2.193) 2.193 4.099 ( 0.000 0.000 5.689) 5.689 4.423 ( 0.000 0.000 2.191) 2.191 4.513 ( 0.000 0.000 -4.396) 4.396 4.924 ( 0.000 -0.000 6.104) 6.104 4.943 ( 0.000 0.000 14.221) 14.221 5.021 ( 0.000 -0.000 -15.369) 15.369 5.043 ( 0.000 0.000 9.895) 9.895 5.134 ( 0.000 0.000 -16.952) 16.952 5.926 ( 0.000 -0.000 -0.871) 0.871 6.083 ( 0.000 -0.000 -12.018) 12.018 6.086 ( 0.000 0.000 -9.810) 9.810 6.585 ( 0.000 0.000 -11.353) 11.353 6.953 ( 0.000 -0.000 7.159) 7.159 6.990 ( 0.000 0.000 -5.300) 5.300 7.576 ( 0.000 0.000 7.830) 7.830 8.250 ( 0.000 -0.000 -3.655) 3.655 8.328 ( 0.000 0.000 -0.838) 0.838 8.502 ( 0.000 -0.000 1.868) 1.868 8.565 ( 0.000 0.000 -0.627) 0.627 9.361 ( 0.000 0.000 -11.664) 11.664 9.554 ( 0.000 0.000 15.906) 15.906 10.120 ( 0.000 0.000 12.056) 12.056 10.893 ( 0.000 0.000 3.940) 3.940 11.423 ( 0.000 -0.000 -8.339) 8.339 11.431 ( 0.000 0.000 16.413) 16.413 11.730 ( 0.000 0.000 10.106) 10.106 20.473 ( 0.000 0.000 18.559) 18.559 21.032 ( 0.000 0.000 0.136) 0.136 21.153 ( 0.000 -0.000 4.420) 4.420 21.325 ( 0.000 0.000 1.541) 1.541 21.514 ( 0.000 0.000 -11.276) 11.276 21.807 ( 0.000 0.000 -13.909) 13.909 21.937 ( 0.000 0.000 -6.016) 6.016 22.563 ( 0.000 0.000 -19.492) 19.492 23.634 ( 0.000 0.000 4.186) 4.186 23.655 ( 0.000 0.000 15.915) 15.915 24.352 ( 0.000 0.000 1.458) 1.458 24.706 ( 0.000 0.000 -8.499) 8.499 ======================= Grid point 155 (57/120) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 18.371 -0.000 28.418) 33.839 2.116 ( -6.428 0.000 8.165) 10.392 2.402 ( 6.263 0.000 5.037) 8.037 2.580 ( 7.841 0.000 31.675) 32.631 3.109 ( -1.339 0.000 -1.389) 1.930 3.213 ( -2.815 0.000 -1.687) 3.282 3.822 ( 0.197 -0.000 24.295) 24.296 3.860 ( -4.414 0.000 -1.053) 4.538 3.999 ( -4.119 0.000 1.250) 4.304 4.094 ( 0.239 0.000 -2.193) 2.206 4.190 ( 5.858 0.000 9.392) 11.069 4.388 ( -0.096 0.000 3.814) 3.816 4.678 ( 12.132 -0.000 -0.427) 12.139 4.848 ( -8.893 -0.000 -6.339) 10.921 4.916 ( -0.179 0.000 6.214) 6.217 4.962 ( 1.608 -0.000 -1.503) 2.201 5.110 ( 6.404 0.000 13.612) 15.043 5.276 ( 7.027 0.000 -15.158) 16.708 5.882 ( -6.032 0.000 -2.407) 6.494 6.012 ( -2.217 -0.000 -12.181) 12.381 6.137 ( 5.639 0.000 -9.395) 10.958 6.715 ( 10.264 0.000 -8.607) 13.395 7.003 ( 4.242 -0.000 4.982) 6.544 7.068 ( 7.856 0.000 -7.514) 10.871 7.613 ( 3.929 0.000 9.217) 10.019 8.224 ( -2.634 0.000 -3.383) 4.288 8.305 ( -2.353 0.000 -0.066) 2.354 8.505 ( 0.320 -0.000 1.650) 1.680 8.515 ( -3.574 0.000 -0.781) 3.658 9.448 ( -10.660 0.000 15.097) 18.481 9.468 ( 8.846 0.000 -13.161) 15.858 10.180 ( 6.016 0.000 11.070) 12.599 10.764 ( -13.131 0.000 0.948) 13.165 11.288 ( -8.066 0.000 18.920) 20.568 11.430 ( 1.055 0.000 -6.385) 6.472 11.906 ( 11.357 0.000 9.318) 14.690 20.443 ( -1.744 0.000 18.290) 18.373 21.087 ( 4.377 -0.000 -1.054) 4.503 21.101 ( -5.196 0.000 3.441) 6.232 21.340 ( 1.489 0.000 1.056) 1.826 21.449 ( -4.531 0.000 -7.969) 9.168 21.926 ( 9.818 0.000 -14.912) 17.854 21.997 ( 6.047 0.000 -6.666) 9.000 22.489 ( -7.330 0.000 -18.102) 19.529 23.591 ( -1.700 0.000 6.336) 6.560 23.812 ( 12.457 0.000 10.493) 16.288 24.334 ( -2.295 0.000 1.245) 2.611 24.652 ( -4.691 0.000 -6.350) 7.895 ======================= Grid point 157 (58/120) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -2.780 -0.000 10.641) 10.998 2.415 ( 17.332 -0.000 23.018) 28.814 2.531 ( 7.048 0.000 3.005) 7.662 2.783 ( 11.170 0.000 16.979) 20.324 3.056 ( -4.562 0.000 1.468) 4.793 3.166 ( -1.499 0.000 -2.995) 3.349 3.724 ( -8.772 -0.000 -2.586) 9.145 3.820 ( -0.715 0.000 20.389) 20.401 3.920 ( -4.428 0.000 1.993) 4.856 4.065 ( -3.949 0.000 -1.814) 4.346 4.267 ( 1.307 0.000 4.193) 4.392 4.493 ( 10.564 -0.000 16.182) 19.325 4.683 ( -7.923 -0.000 -7.946) 11.221 4.824 ( 5.297 0.000 5.230) 7.444 5.021 ( 4.103 -0.000 4.745) 6.273 5.084 ( 14.971 0.000 -4.923) 15.760 5.286 ( 11.826 0.000 13.978) 18.309 5.324 ( -2.171 -0.000 -5.383) 5.805 5.739 ( -7.026 0.000 -14.983) 16.548 6.044 ( 4.073 -0.000 -5.849) 7.127 6.322 ( 13.812 -0.000 -8.791) 16.372 6.906 ( 8.936 0.000 -6.406) 10.995 7.089 ( 4.680 -0.000 2.827) 5.468 7.269 ( 11.882 0.000 -10.255) 15.696 7.721 ( 6.655 -0.000 9.566) 11.653 8.161 ( -3.308 0.000 -3.208) 4.608 8.239 ( -4.490 0.000 1.991) 4.911 8.470 ( -0.872 -0.000 -0.841) 1.212 8.511 ( 0.172 0.000 0.852) 0.869 9.165 ( -17.943 0.000 12.917) 22.109 9.625 ( 6.333 0.000 -15.701) 16.930 10.332 ( 9.067 0.000 9.733) 13.302 10.439 ( -18.753 -0.000 -3.032) 18.997 11.166 ( -5.620 0.000 20.334) 21.097 11.480 ( 4.595 0.000 -1.525) 4.842 12.069 ( 4.825 0.000 8.219) 9.531 20.443 ( 1.911 0.000 16.648) 16.758 20.974 ( -7.274 0.000 3.114) 7.913 21.163 ( 3.261 0.000 -2.046) 3.849 21.374 ( -3.270 0.000 -3.674) 4.918 21.379 ( 2.587 -0.000 -0.259) 2.600 22.127 ( 9.889 0.000 -15.145) 18.087 22.156 ( 9.829 0.000 -8.561) 13.034 22.300 ( -11.207 0.000 -15.090) 18.797 23.564 ( -0.970 0.000 6.137) 6.213 24.088 ( 14.766 0.000 4.356) 15.395 24.238 ( -8.070 0.000 1.725) 8.253 24.577 ( -2.208 0.000 -3.251) 3.930 ======================= Grid point 159 (59/120) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 5.440 0.000 11.964) 13.143 2.672 ( 7.476 0.000 1.574) 7.640 2.686 ( 6.276 -0.000 8.214) 10.337 2.880 ( -3.484 0.000 11.261) 11.787 3.018 ( 7.029 0.000 7.753) 10.464 3.168 ( 1.827 0.000 -4.100) 4.488 3.556 ( -8.230 -0.000 -3.433) 8.918 3.787 ( -3.044 -0.000 11.989) 12.369 3.833 ( -3.969 0.000 6.046) 7.232 3.931 ( -9.394 -0.000 2.790) 9.799 4.286 ( 1.472 0.000 -0.062) 1.473 4.541 ( -6.867 -0.000 -5.933) 9.075 4.684 ( 8.517 -0.000 15.614) 17.786 5.018 ( 13.716 -0.000 2.679) 13.976 5.094 ( 1.449 0.000 8.665) 8.786 5.249 ( -2.761 0.000 2.717) 3.873 5.309 ( 6.831 -0.000 1.797) 7.064 5.580 ( 18.072 0.000 6.382) 19.166 5.614 ( -6.423 -0.000 -16.047) 17.285 6.119 ( 2.482 -0.000 -5.569) 6.097 6.647 ( 18.042 -0.000 -8.289) 19.855 7.044 ( 4.775 0.000 -6.942) 8.426 7.214 ( 9.467 -0.000 3.201) 9.994 7.484 ( 9.498 0.000 -8.683) 12.868 7.833 ( 4.042 0.000 5.963) 7.204 8.123 ( 0.066 0.000 -2.529) 2.530 8.134 ( -6.221 0.000 4.023) 7.409 8.475 ( 1.112 -0.000 -0.105) 1.117 8.503 ( -1.664 0.000 -1.001) 1.942 8.791 ( -19.334 0.000 10.113) 21.819 9.701 ( 1.868 0.000 -18.156) 18.251 10.090 ( -16.412 0.000 -7.787) 18.166 10.514 ( 9.623 0.000 11.799) 15.225 11.045 ( -7.166 0.000 20.068) 21.309 11.614 ( 8.941 0.000 3.086) 9.458 12.089 ( -2.524 0.000 7.446) 7.862 20.509 ( 4.606 -0.000 13.863) 14.608 20.837 ( -6.722 0.000 4.925) 8.333 21.213 ( 1.952 0.000 -1.785) 2.645 21.318 ( -2.575 0.000 -1.402) 2.932 21.450 ( 5.240 0.000 -2.020) 5.616 22.040 ( -12.979 0.000 -10.179) 16.495 22.329 ( 8.413 0.000 -16.348) 18.386 22.346 ( 8.967 0.000 -11.626) 14.682 23.565 ( 1.543 0.000 7.318) 7.479 24.041 ( -11.533 0.000 4.206) 12.276 24.340 ( 10.627 0.000 -0.830) 10.659 24.561 ( -0.085 0.000 -2.839) 2.841 ======================= Grid point 161 (60/120) ======================= q-point: ( 0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 13.301 0.000 10.838) 17.158 2.518 ( -15.595 0.000 7.021) 17.103 2.808 ( 6.072 -0.000 1.752) 6.320 2.883 ( -1.043 0.000 5.666) 5.762 3.234 ( 4.648 -0.000 -4.886) 6.744 3.242 ( 11.166 0.000 1.199) 11.230 3.426 ( -2.161 -0.000 -0.865) 2.327 3.626 ( -14.147 -0.000 -1.056) 14.186 3.786 ( -0.811 0.000 10.852) 10.883 3.801 ( -2.605 -0.000 15.329) 15.548 4.334 ( 3.496 0.000 -1.870) 3.965 4.421 ( -5.443 -0.000 -3.545) 6.496 4.847 ( 8.642 -0.000 9.905) 13.145 5.011 ( -7.825 0.000 7.891) 11.113 5.266 ( 10.130 -0.000 3.914) 10.860 5.286 ( 4.009 0.000 8.497) 9.395 5.366 ( 0.595 0.000 0.061) 0.598 5.477 ( -7.920 0.000 -11.091) 13.628 5.914 ( 14.639 0.000 1.184) 14.687 6.103 ( -4.863 0.000 -3.286) 5.870 6.935 ( 10.768 0.000 -7.673) 13.222 7.067 ( -2.846 0.000 -7.429) 7.955 7.468 ( 14.368 -0.000 3.436) 14.773 7.602 ( 1.424 0.000 -2.519) 2.894 7.880 ( 2.427 0.000 1.100) 2.664 7.996 ( -8.210 0.000 2.983) 8.735 8.176 ( 5.452 -0.000 -0.403) 5.467 8.356 ( -13.022 0.000 0.311) 13.025 8.506 ( 2.025 0.000 0.868) 2.203 8.555 ( -3.891 0.000 3.686) 5.360 9.730 ( 2.379 0.000 -17.610) 17.770 9.836 ( -9.307 0.000 -13.293) 16.228 10.703 ( 9.848 0.000 15.727) 18.556 10.887 ( -9.053 0.000 18.621) 20.705 11.805 ( 10.228 0.000 5.553) 11.638 11.985 ( -7.841 0.000 6.711) 10.321 20.608 ( 5.411 0.000 10.738) 12.024 20.716 ( -5.842 0.000 7.673) 9.644 21.243 ( 1.386 0.000 -0.943) 1.676 21.274 ( -1.909 -0.000 -0.637) 2.012 21.590 ( 9.107 0.000 -4.347) 10.091 21.795 ( -11.955 0.000 -7.028) 13.868 22.455 ( 4.075 0.000 -16.044) 16.554 22.468 ( 2.986 0.000 -14.720) 15.020 23.642 ( 6.697 0.000 8.212) 10.597 23.818 ( -10.959 0.000 6.904) 12.953 24.491 ( 5.202 0.000 -3.096) 6.053 24.551 ( -1.375 0.000 -3.330) 3.602 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.000 0.000 31.853) 31.853 1.836 ( 0.000 0.000 23.305) 23.305 2.939 ( 0.000 0.000 -7.926) 7.926 2.974 ( 0.000 0.000 22.007) 22.007 3.022 ( 0.000 0.000 2.511) 2.511 3.385 ( 0.000 0.000 -1.926) 1.926 3.508 ( 0.000 0.000 17.119) 17.119 3.691 ( 0.000 0.000 -3.983) 3.983 3.867 ( 0.000 0.000 5.325) 5.325 3.930 ( 0.000 0.000 35.702) 35.702 4.411 ( 0.000 0.000 5.563) 5.563 4.421 ( 0.000 0.000 2.311) 2.311 4.434 ( 0.000 0.000 -2.465) 2.465 4.615 ( 0.000 0.000 -1.653) 1.653 5.049 ( 0.000 0.000 -18.756) 18.756 5.236 ( 0.000 0.000 5.552) 5.552 5.281 ( 0.000 0.000 -9.611) 9.611 5.789 ( 0.000 0.000 0.749) 0.749 5.811 ( 0.000 0.000 -5.357) 5.357 5.812 ( 0.000 0.000 4.214) 4.214 6.044 ( 0.000 0.000 3.340) 3.340 6.513 ( 0.000 0.000 -2.068) 2.068 6.961 ( 0.000 0.000 -7.191) 7.191 7.057 ( 0.000 0.000 -0.171) 0.171 7.709 ( 0.000 0.000 13.632) 13.632 8.239 ( 0.000 0.000 -0.780) 0.780 8.284 ( 0.000 0.000 0.110) 0.110 8.297 ( 0.000 0.000 -2.514) 2.514 8.655 ( 0.000 0.000 -5.339) 5.339 9.088 ( 0.000 0.000 -15.718) 15.718 9.867 ( 0.000 0.000 17.399) 17.399 10.883 ( 0.000 0.000 -5.812) 5.812 11.066 ( 0.000 0.000 -0.414) 0.414 11.276 ( 0.000 0.000 -8.380) 8.380 11.630 ( 0.000 0.000 13.782) 13.782 11.680 ( 0.000 0.000 13.040) 13.040 20.940 ( 0.000 0.000 -1.939) 1.939 21.097 ( 0.000 0.000 3.651) 3.651 21.125 ( 0.000 0.000 -0.889) 0.889 21.390 ( 0.000 0.000 6.097) 6.097 21.478 ( 0.000 0.000 -7.150) 7.150 21.493 ( 0.000 0.000 -4.405) 4.405 21.522 ( 0.000 0.000 -13.575) 13.575 22.189 ( 0.000 0.000 -15.624) 15.624 23.725 ( 0.000 0.000 5.706) 5.706 24.053 ( 0.000 0.000 1.999) 1.999 24.355 ( 0.000 0.000 0.311) 0.311 24.446 ( 0.000 0.000 -2.360) 2.360 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 9.659 0.000 30.718) 32.200 1.987 ( 12.625 0.000 19.425) 23.167 2.949 ( 1.920 0.000 -1.659) 2.537 3.017 ( -1.031 0.000 3.447) 3.598 3.053 ( 6.577 0.000 14.559) 15.976 3.371 ( -1.467 0.000 -2.474) 2.876 3.539 ( 3.058 0.000 19.271) 19.512 3.701 ( 1.497 0.000 -3.951) 4.225 3.825 ( -0.528 0.000 10.638) 10.651 4.066 ( 10.924 0.000 27.255) 29.363 4.296 ( -7.929 0.000 5.999) 9.943 4.421 ( -2.668 0.000 1.015) 2.854 4.511 ( 6.687 0.000 -3.053) 7.351 4.620 ( 0.536 0.000 -1.242) 1.353 5.040 ( -1.103 0.000 -18.287) 18.321 5.241 ( 0.421 0.000 4.743) 4.762 5.281 ( -0.597 0.000 -10.278) 10.296 5.747 ( -2.101 0.000 1.007) 2.330 5.830 ( 2.106 0.000 3.675) 4.235 5.872 ( 4.650 0.000 -2.002) 5.063 6.112 ( 7.359 0.000 2.934) 7.923 6.606 ( 8.760 0.000 -3.702) 9.510 7.009 ( 4.607 0.000 -7.286) 8.620 7.064 ( 0.911 0.000 -1.188) 1.497 7.753 ( 4.089 0.000 12.309) 12.970 8.200 ( -3.831 0.000 -0.990) 3.957 8.282 ( -0.063 0.000 0.577) 0.580 8.310 ( 1.140 0.000 -2.102) 2.391 8.569 ( -5.848 0.000 -1.710) 6.092 9.178 ( 6.457 0.000 -18.678) 19.762 9.742 ( -12.512 0.000 16.603) 20.789 10.716 ( -15.876 0.000 -5.971) 16.962 11.075 ( 1.150 0.000 1.162) 1.635 11.338 ( 6.040 0.000 -7.287) 9.464 11.533 ( -3.175 0.000 17.294) 17.583 11.861 ( 10.273 0.000 8.902) 13.594 20.931 ( -0.833 0.000 -1.006) 1.306 21.002 ( -7.003 0.000 8.373) 10.916 21.132 ( 0.633 0.000 -1.131) 1.296 21.341 ( -2.967 0.000 6.849) 7.464 21.401 ( -3.315 0.000 -6.577) 7.365 21.638 ( 10.156 0.000 -8.500) 13.243 21.656 ( 8.977 0.000 -13.671) 16.355 22.148 ( -3.836 0.000 -14.353) 14.856 23.712 ( -1.035 0.000 6.356) 6.440 24.112 ( 5.418 0.000 -0.597) 5.450 24.324 ( -3.128 0.000 0.796) 3.228 24.454 ( 0.681 0.000 -2.509) 2.600 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 15.736 0.000 28.150) 32.250 2.211 ( 9.400 0.000 14.413) 17.207 2.959 ( -5.321 0.000 5.141) 7.399 2.994 ( 2.048 0.000 -4.181) 4.656 3.188 ( 6.305 0.000 15.017) 16.287 3.331 ( -2.647 0.000 -4.062) 4.848 3.587 ( 0.751 0.000 22.002) 22.015 3.763 ( 4.990 0.000 -2.727) 5.686 3.902 ( 8.407 0.000 5.495) 10.043 4.137 ( -8.122 0.000 7.818) 11.274 4.317 ( 13.894 0.000 22.887) 26.774 4.351 ( -3.377 0.000 -1.437) 3.670 4.609 ( 1.739 0.000 2.433) 2.991 4.677 ( 7.236 0.000 -4.283) 8.409 5.000 ( -3.030 0.000 -17.370) 17.633 5.241 ( -0.840 0.000 1.976) 2.147 5.245 ( -2.951 0.000 -9.485) 9.933 5.705 ( -2.878 0.000 4.929) 5.708 5.910 ( 6.501 0.000 2.283) 6.890 5.995 ( 7.957 0.000 -1.938) 8.190 6.334 ( 15.219 0.000 2.198) 15.377 6.805 ( 10.647 0.000 -5.268) 11.878 7.100 ( 3.134 0.000 -2.877) 4.254 7.119 ( 6.279 0.000 -7.861) 10.061 7.834 ( 3.138 0.000 6.835) 7.521 8.129 ( -1.853 0.000 1.620) 2.461 8.284 ( 0.327 0.000 2.704) 2.724 8.337 ( 1.464 0.000 -1.769) 2.296 8.489 ( -2.478 0.000 2.212) 3.322 9.273 ( 3.017 0.000 -21.678) 21.887 9.413 ( -20.741 0.000 14.649) 25.393 10.336 ( -22.034 0.000 -7.024) 23.127 11.116 ( 3.150 0.000 5.187) 6.068 11.489 ( 9.178 0.000 -4.646) 10.287 11.493 ( -1.765 0.000 18.510) 18.594 12.019 ( 5.630 0.000 6.025) 8.246 20.897 ( -3.371 0.000 12.976) 13.406 20.912 ( -1.028 0.000 1.521) 1.836 21.148 ( 1.052 0.000 -1.560) 1.881 21.282 ( -3.064 0.000 7.062) 7.698 21.366 ( -0.265 0.000 -3.914) 3.923 21.794 ( 3.814 0.000 -13.239) 13.778 21.840 ( 9.768 0.000 -15.325) 18.174 22.078 ( -1.462 0.000 -10.974) 11.071 23.698 ( -0.109 0.000 7.401) 7.402 24.235 ( 6.691 0.000 -4.613) 8.127 24.237 ( -5.786 0.000 2.313) 6.232 24.468 ( 0.758 0.000 -3.131) 3.221 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 6.613 0.000 10.345) 12.278 2.424 ( 16.800 0.000 24.567) 29.762 2.826 ( -7.393 0.000 6.534) 9.867 3.019 ( 0.537 0.000 -3.879) 3.916 3.255 ( -0.324 0.000 13.880) 13.884 3.266 ( -3.989 0.000 -5.582) 6.861 3.591 ( 1.187 0.000 25.465) 25.493 3.877 ( 5.530 0.000 2.157) 5.936 3.985 ( -7.080 0.000 10.215) 12.429 4.063 ( 6.056 0.000 0.231) 6.061 4.334 ( 2.129 0.000 -5.032) 5.464 4.486 ( 1.579 0.000 -0.588) 1.685 4.700 ( 8.529 0.000 14.611) 16.918 4.858 ( 11.173 0.000 -0.724) 11.196 4.933 ( -3.506 0.000 -14.626) 15.040 5.175 ( -4.164 0.000 -7.550) 8.622 5.208 ( -1.796 0.000 0.287) 1.819 5.619 ( -6.192 0.000 7.658) 9.848 6.077 ( 10.047 0.000 0.477) 10.059 6.156 ( 7.887 0.000 -2.966) 8.426 6.648 ( 15.079 0.000 1.275) 15.133 6.969 ( 5.036 0.000 -3.949) 6.400 7.208 ( 8.687 0.000 -3.801) 9.482 7.244 ( 6.882 0.000 -9.668) 11.867 7.861 ( 0.881 0.000 -0.130) 0.891 8.162 ( 4.576 0.000 6.210) 7.713 8.290 ( -0.172 0.000 5.984) 5.987 8.356 ( 0.144 0.000 -1.636) 1.642 8.462 ( -0.504 0.000 4.052) 4.083 8.976 ( -23.336 0.000 12.030) 26.254 9.307 ( 1.267 0.000 -21.636) 21.673 9.908 ( -21.331 0.000 -9.934) 23.531 11.192 ( 4.526 0.000 9.843) 10.833 11.448 ( -3.072 0.000 18.319) 18.575 11.679 ( 10.123 0.000 -1.731) 10.270 12.070 ( -0.371 0.000 4.014) 4.031 20.866 ( -0.218 0.000 13.380) 13.382 20.895 ( -0.744 0.000 4.856) 4.912 21.168 ( 0.883 0.000 -0.929) 1.281 21.229 ( -2.295 0.000 6.188) 6.600 21.391 ( 2.783 0.000 -2.903) 4.021 21.747 ( -6.657 0.000 -11.641) 13.410 22.019 ( 8.330 0.000 -16.214) 18.228 22.128 ( 4.559 0.000 -12.218) 13.041 23.719 ( 2.561 0.000 8.404) 8.785 24.104 ( -7.823 0.000 4.604) 9.077 24.353 ( 5.322 0.000 -6.705) 8.560 24.479 ( 0.262 0.000 -4.256) 4.264 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 6.662 0.000 7.318) 9.896 2.606 ( -3.746 0.000 8.305) 9.111 2.810 ( 10.958 0.000 19.088) 22.010 2.997 ( -4.646 0.000 6.717) 8.167 3.189 ( -3.758 0.000 5.764) 6.880 3.192 ( -3.055 0.000 -5.262) 6.084 3.665 ( 6.209 0.000 24.531) 25.305 3.808 ( -8.006 0.000 19.786) 21.344 4.019 ( 5.704 0.000 -0.385) 5.717 4.101 ( -1.936 0.000 -0.685) 2.053 4.410 ( 4.461 0.000 -7.067) 8.357 4.472 ( -1.863 0.000 -6.131) 6.408 4.836 ( 4.353 0.000 1.336) 4.553 4.880 ( -1.798 0.000 -8.878) 9.059 5.017 ( 3.599 0.000 -4.835) 6.028 5.089 ( -4.509 0.000 -6.495) 7.907 5.263 ( 9.140 0.000 9.414) 13.121 5.464 ( -9.792 0.000 10.204) 14.142 6.245 ( 5.757 0.000 -1.948) 6.078 6.269 ( 3.004 0.000 -3.411) 4.546 6.865 ( 7.921 0.000 0.374) 7.930 6.979 ( -3.524 0.000 -1.134) 3.702 7.374 ( 5.463 0.000 -10.751) 12.059 7.387 ( 5.887 0.000 -7.521) 9.551 7.953 ( 10.961 0.000 2.322) 11.204 8.218 ( -10.440 0.000 6.656) 12.381 8.263 ( 5.011 0.000 6.194) 7.967 8.332 ( -2.255 0.000 1.664) 2.802 8.471 ( 1.833 0.000 4.846) 5.181 8.590 ( -13.318 0.000 8.176) 15.627 9.361 ( 5.476 0.000 -18.814) 19.595 9.552 ( -14.587 0.000 -14.360) 20.469 11.284 ( 4.889 0.000 13.889) 14.724 11.375 ( -4.373 0.000 16.791) 17.352 11.867 ( 8.946 0.000 0.580) 8.965 12.010 ( -5.561 0.000 2.344) 6.035 20.872 ( 0.555 0.000 11.311) 11.324 20.883 ( -0.530 0.000 8.259) 8.276 21.182 ( 0.578 0.000 1.478) 1.587 21.196 ( -1.103 0.000 4.229) 4.371 21.473 ( 5.661 0.000 -4.520) 7.244 21.603 ( -7.521 0.000 -7.716) 10.775 22.147 ( 4.617 0.000 -16.244) 16.887 22.186 ( 0.712 0.000 -15.019) 15.036 23.803 ( 6.109 0.000 8.516) 10.480 23.945 ( -8.219 0.000 7.022) 10.810 24.435 ( 3.071 0.000 -6.755) 7.420 24.473 ( -1.031 0.000 -5.651) 5.744 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.000 14.856 27.986) 31.685 1.929 ( 0.000 8.647 22.779) 24.365 2.909 ( 0.000 -6.164 19.032) 20.005 2.985 ( 0.000 4.028 -6.816) 7.917 3.057 ( 0.000 2.659 4.712) 5.411 3.313 ( 0.000 -5.181 5.643) 7.661 3.606 ( 0.000 7.615 9.003) 11.792 3.734 ( 0.000 4.875 -2.123) 5.317 3.946 ( 0.000 6.812 -0.063) 6.812 3.988 ( 0.000 5.296 32.771) 33.196 4.309 ( 0.000 -5.989 -1.281) 6.125 4.444 ( 0.000 0.557 4.662) 4.695 4.523 ( 0.000 4.084 0.219) 4.090 4.625 ( 0.000 3.492 0.580) 3.540 5.008 ( 0.000 -3.971 -16.865) 17.326 5.113 ( 0.000 -8.624 -6.238) 10.643 5.308 ( 0.000 -0.333 6.672) 6.680 5.661 ( 0.000 -8.517 4.477) 9.622 5.801 ( 0.000 0.129 -8.300) 8.301 5.863 ( 0.000 1.194 -0.400) 1.260 6.063 ( 0.000 0.477 2.887) 2.926 6.498 ( 0.000 -1.296 -1.924) 2.320 6.937 ( 0.000 -2.120 -7.088) 7.398 7.060 ( 0.000 0.367 1.149) 1.206 7.718 ( 0.000 0.912 12.827) 12.860 8.217 ( 0.000 -1.597 -1.862) 2.453 8.299 ( 0.000 0.865 0.251) 0.900 8.325 ( 0.000 2.737 -2.042) 3.415 8.651 ( 0.000 -0.577 -4.672) 4.708 9.090 ( 0.000 0.135 -15.776) 15.777 9.874 ( 0.000 0.557 17.748) 17.756 10.780 ( 0.000 -14.164 1.247) 14.219 10.933 ( 0.000 -3.570 -0.510) 3.606 11.264 ( 0.000 -1.009 -9.144) 9.200 11.695 ( 0.000 1.302 13.516) 13.579 11.755 ( 0.000 8.066 10.094) 12.920 20.880 ( 0.000 -4.958 2.497) 5.551 21.060 ( 0.000 -1.862 0.461) 1.919 21.174 ( 0.000 2.883 2.494) 3.812 21.363 ( 0.000 -3.908 -7.349) 8.323 21.387 ( 0.000 -0.321 5.325) 5.335 21.529 ( 0.000 0.606 -12.891) 12.905 21.655 ( 0.000 7.664 -6.636) 10.138 22.193 ( 0.000 0.351 -16.032) 16.036 23.726 ( 0.000 0.122 5.721) 5.722 24.002 ( 0.000 -3.981 4.817) 6.249 24.360 ( 0.000 0.418 0.434) 0.603 24.485 ( 0.000 3.036 -4.161) 5.150 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 5.076 8.038 24.755) 26.518 2.122 ( 12.765 11.512 21.931) 27.865 2.925 ( 0.829 -3.532 9.487) 10.157 3.005 ( 2.226 -0.438 1.035) 2.494 3.077 ( 2.241 2.334 6.066) 6.875 3.318 ( 0.407 -4.340 4.449) 6.228 3.616 ( 0.449 6.141 8.951) 10.864 3.753 ( 2.058 5.270 1.941) 5.981 3.910 ( -0.311 7.166 2.196) 7.501 4.091 ( 6.810 2.370 27.506) 28.435 4.308 ( -0.838 -0.248 0.473) 0.994 4.409 ( -1.718 0.135 2.581) 3.103 4.564 ( 3.822 3.295 -0.441) 5.066 4.611 ( -0.968 1.216 -1.177) 1.950 5.008 ( -0.285 -3.149 -15.962) 16.273 5.143 ( 2.551 -6.056 -5.575) 8.618 5.307 ( 0.043 -0.894 5.879) 5.947 5.675 ( -2.070 -5.686 -1.101) 6.151 5.754 ( 1.111 -4.154 1.027) 4.421 5.914 ( 3.816 1.239 -1.448) 4.265 6.121 ( 6.343 -0.161 2.994) 7.016 6.600 ( 9.325 -0.586 -4.090) 10.199 6.981 ( 4.291 -2.205 -7.180) 8.650 7.074 ( 1.538 0.739 0.026) 1.706 7.762 ( 4.049 0.836 11.604) 12.318 8.183 ( -3.440 -1.181 -2.051) 4.176 8.291 ( -0.342 0.529 0.700) 0.941 8.340 ( 1.181 2.711 -1.478) 3.305 8.574 ( -5.395 0.269 -1.833) 5.704 9.175 ( 6.248 -0.297 -18.562) 19.588 9.749 ( -12.470 0.598 16.925) 21.032 10.698 ( -12.878 -2.712 -4.578) 13.934 10.889 ( 0.895 -13.363 5.429) 14.452 11.313 ( 5.013 -1.481 -7.592) 9.218 11.585 ( -4.252 2.878 16.326) 17.114 11.933 ( 9.957 5.496 7.220) 13.471 20.852 ( -2.257 -5.141 6.005) 8.221 21.037 ( -2.767 1.473 1.744) 3.587 21.140 ( -1.155 0.654 0.219) 1.345 21.344 ( -1.807 0.022 2.844) 3.369 21.377 ( -0.981 -1.093 -2.314) 2.741 21.627 ( 8.654 -0.104 -14.100) 16.544 21.734 ( 6.988 5.239 -8.753) 12.365 22.151 ( -4.029 0.211 -14.720) 15.263 23.712 ( -1.111 0.004 6.408) 6.504 24.067 ( 5.961 -3.484 1.943) 7.173 24.335 ( -2.697 0.778 0.501) 2.851 24.479 ( -0.354 2.128 -3.618) 4.212 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 10.402 1.638 21.247) 23.714 2.344 ( 9.931 9.678 18.824) 23.380 2.910 ( -2.873 -2.735 4.643) 6.107 3.022 ( -0.271 0.797 -2.648) 2.778 3.170 ( 5.540 -1.524 11.716) 13.049 3.325 ( 0.140 -1.363 2.703) 3.030 3.595 ( -2.355 1.312 12.237) 12.530 3.812 ( 3.568 3.633 5.987) 7.859 3.964 ( 5.022 5.079 -4.240) 8.306 4.118 ( -4.065 -0.719 13.632) 14.243 4.342 ( 2.515 1.945 9.118) 9.657 4.430 ( 3.376 5.031 0.951) 6.133 4.578 ( 3.002 -1.358 9.361) 9.924 4.700 ( 7.779 3.307 -6.403) 10.604 4.988 ( -1.685 -1.458 -13.931) 14.108 5.188 ( 1.616 -2.228 -4.246) 5.060 5.296 ( -2.150 1.992 -1.341) 3.223 5.602 ( -2.598 -7.748 5.123) 9.645 5.866 ( 8.150 -4.687 2.500) 9.728 6.006 ( 5.807 0.421 -1.540) 6.023 6.322 ( 14.306 -1.431 2.495) 14.593 6.803 ( 10.387 -0.367 -5.893) 11.948 7.083 ( 5.814 -1.118 -7.035) 9.195 7.131 ( 4.663 0.747 -2.709) 5.445 7.842 ( 3.184 0.770 6.669) 7.430 8.115 ( -2.152 -0.829 -0.001) 2.306 8.288 ( -0.033 -0.187 2.777) 2.784 8.366 ( 1.449 2.726 -0.918) 3.221 8.498 ( -2.288 0.864 1.225) 2.735 9.268 ( 2.901 -0.409 -21.367) 21.567 9.421 ( -20.514 0.736 14.691) 25.242 10.339 ( -21.753 0.270 -6.594) 22.732 10.963 ( 5.472 -12.830 8.236) 16.198 11.448 ( 7.947 -1.720 -2.099) 8.398 11.528 ( -1.656 1.217 15.747) 15.880 12.080 ( 4.757 4.575 4.841) 8.185 20.819 ( -0.734 -3.901 10.695) 11.408 20.974 ( -3.072 2.681 3.977) 5.696 21.144 ( 1.082 -0.438 -1.477) 1.883 21.299 ( -2.588 1.420 5.581) 6.314 21.369 ( 0.395 0.356 -2.664) 2.716 21.794 ( 6.292 0.009 -16.015) 17.207 21.873 ( 6.546 2.930 -12.571) 14.473 22.074 ( -1.825 -0.467 -11.084) 11.243 23.697 ( -0.133 -0.071 7.413) 7.415 24.196 ( 5.357 -2.249 -1.372) 5.970 24.257 ( -3.933 0.672 0.316) 4.002 24.478 ( 0.213 0.859 -3.415) 3.527 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 10.325 -2.519 14.440) 17.929 2.535 ( 10.528 7.107 18.431) 22.384 2.813 ( -6.474 -0.660 6.136) 8.944 3.025 ( 0.520 0.344 -3.453) 3.509 3.207 ( -2.123 -2.621 6.383) 7.219 3.307 ( -2.717 1.681 2.165) 3.859 3.575 ( 1.680 -1.239 20.225) 20.332 3.872 ( 2.359 -2.341 5.360) 6.306 3.990 ( -4.973 2.191 12.552) 13.678 4.076 ( 2.232 0.934 -4.275) 4.912 4.364 ( -0.462 -2.214 -0.767) 2.388 4.444 ( 1.606 0.262 -4.464) 4.752 4.743 ( 8.236 4.751 14.244) 17.125 4.854 ( 4.753 -0.657 -11.175) 12.162 4.984 ( 4.481 4.638 -3.867) 7.520 5.196 ( -1.286 0.765 -3.857) 4.137 5.226 ( -2.653 3.073 -3.843) 5.590 5.572 ( -2.006 -4.094 10.478) 11.426 6.040 ( 9.260 -3.764 0.615) 10.014 6.136 ( 7.127 -1.879 -1.050) 7.445 6.628 ( 15.233 -1.773 1.294) 15.390 6.959 ( 4.899 -1.054 -4.639) 6.829 7.220 ( 9.170 1.117 -5.721) 10.866 7.252 ( 7.613 0.752 -7.132) 10.459 7.867 ( 0.380 0.463 0.007) 0.599 8.134 ( 3.561 -1.741 4.256) 5.816 8.279 ( -1.333 -1.437 5.477) 5.817 8.390 ( 0.645 2.888 -0.502) 3.002 8.477 ( -0.193 1.112 2.900) 3.112 8.984 ( -23.089 0.783 12.317) 26.181 9.306 ( 1.362 -0.094 -21.716) 21.759 9.913 ( -21.275 0.485 -9.632) 23.358 11.082 ( 6.663 -9.324 11.614) 16.316 11.447 ( -4.187 -0.256 18.254) 18.730 11.659 ( 10.760 -1.485 -1.473) 10.961 12.111 ( -1.500 3.133 3.316) 4.802 20.825 ( 1.109 -2.342 11.893) 12.172 20.925 ( -2.101 1.397 6.660) 7.122 21.169 ( 1.306 0.192 -1.040) 1.681 21.253 ( -2.034 1.999 4.929) 5.694 21.398 ( 2.777 0.709 -2.371) 3.720 21.764 ( -6.911 1.409 -12.029) 13.944 22.021 ( 7.982 0.239 -15.798) 17.701 22.125 ( 4.745 -0.283 -12.269) 13.158 23.718 ( 2.550 -0.098 8.378) 8.758 24.107 ( -7.977 0.305 4.474) 9.151 24.339 ( 5.745 -1.288 -5.959) 8.377 24.482 ( 0.029 0.253 -4.317) 4.325 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 8.116 -0.785 8.235) 11.589 2.639 ( -5.754 1.850 5.692) 8.302 2.795 ( 10.353 -0.117 18.067) 20.824 2.994 ( -6.214 0.077 9.765) 11.575 3.153 ( -0.323 -1.093 -0.427) 1.217 3.225 ( -4.541 0.989 -1.915) 5.026 3.662 ( 6.226 -0.513 20.526) 21.456 3.825 ( -6.664 -0.063 16.010) 17.342 3.969 ( 3.045 -2.822 3.555) 5.465 4.070 ( -2.773 -3.147 2.240) 4.755 4.390 ( 3.068 -3.408 -5.135) 6.884 4.472 ( 0.041 0.428 -8.131) 8.142 4.819 ( 0.825 -0.167 0.970) 1.285 4.869 ( -0.589 0.764 -13.000) 13.035 5.079 ( 2.744 4.988 -1.627) 5.921 5.148 ( -2.861 3.550 -6.450) 7.898 5.303 ( 8.866 4.392 9.302) 13.580 5.492 ( -6.111 2.230 11.528) 13.237 6.184 ( 4.477 -4.680 -1.818) 6.727 6.248 ( 3.558 -2.795 0.097) 4.526 6.849 ( 7.526 -1.062 -0.175) 7.602 6.980 ( -2.186 -0.197 -1.814) 2.847 7.384 ( 5.630 1.188 -10.818) 12.253 7.412 ( 6.112 2.065 -7.376) 9.799 7.943 ( 10.011 -1.010 2.648) 10.404 8.183 ( -7.060 -2.958 7.448) 10.681 8.230 ( 1.758 -1.767 3.583) 4.365 8.355 ( -4.625 0.856 2.015) 5.118 8.493 ( 1.980 1.799 4.104) 4.898 8.614 ( -11.597 1.985 8.095) 14.281 9.363 ( 5.634 0.174 -18.899) 19.722 9.557 ( -14.651 0.468 -14.251) 20.444 11.212 ( 6.413 -5.971 15.091) 17.451 11.350 ( -5.572 -2.522 17.174) 18.231 11.864 ( 9.980 -0.184 0.468) 9.992 12.029 ( -6.694 1.455 2.006) 7.138 20.851 ( 1.240 -1.181 10.647) 10.784 20.892 ( -1.294 0.098 9.397) 9.486 21.189 ( 0.642 1.077 1.072) 1.650 21.224 ( -0.868 2.000 3.373) 4.017 21.480 ( 5.582 0.644 -4.473) 7.182 21.615 ( -7.621 1.018 -7.692) 10.876 22.147 ( 4.546 -0.036 -16.155) 16.783 22.185 ( 0.780 -0.096 -15.041) 15.062 23.802 ( 6.130 -0.093 8.466) 10.453 23.946 ( -8.334 0.027 6.940) 10.845 24.427 ( 3.332 -0.629 -6.424) 7.264 24.473 ( -1.181 -0.099 -5.636) 5.760 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.000 13.522 21.658) 25.532 2.259 ( 0.000 15.510 21.810) 26.763 2.725 ( 0.000 -11.493 18.110) 21.449 3.063 ( 0.000 1.735 1.547) 2.324 3.110 ( 0.000 2.065 3.951) 4.458 3.203 ( 0.000 -4.148 5.887) 7.201 3.778 ( 0.000 7.803 0.391) 7.813 3.885 ( 0.000 8.885 -0.398) 8.894 4.096 ( 0.000 5.414 -7.591) 9.324 4.119 ( 0.000 6.040 21.183) 22.027 4.204 ( 0.000 -2.911 -0.215) 2.919 4.403 ( 0.000 -1.165 3.994) 4.160 4.594 ( 0.000 2.454 2.929) 3.821 4.751 ( 0.000 1.281 -11.122) 11.195 4.915 ( 0.000 -9.555 -3.813) 10.288 4.937 ( 0.000 2.836 0.453) 2.872 5.281 ( 0.000 -1.642 11.433) 11.550 5.452 ( 0.000 -11.724 7.359) 13.842 5.824 ( 0.000 1.656 -10.811) 10.937 5.865 ( 0.000 -0.566 -4.375) 4.411 6.035 ( 0.000 -2.806 2.875) 4.017 6.469 ( 0.000 -1.268 -1.439) 1.918 6.890 ( 0.000 -1.965 -6.956) 7.229 7.071 ( 0.000 0.522 3.582) 3.620 7.744 ( 0.000 1.330 11.038) 11.118 8.186 ( 0.000 -1.200 -3.451) 3.654 8.311 ( 0.000 0.360 -0.060) 0.365 8.408 ( 0.000 5.170 -1.291) 5.329 8.617 ( 0.000 -3.049 -3.058) 4.318 9.093 ( 0.000 0.093 -15.917) 15.918 9.886 ( 0.000 0.549 18.437) 18.445 10.469 ( 0.000 -12.410 9.342) 15.533 10.906 ( 0.000 -0.547 -3.020) 3.069 11.243 ( 0.000 -0.879 -10.603) 10.639 11.723 ( 0.000 1.233 14.406) 14.459 11.884 ( 0.000 4.168 9.279) 10.172 20.782 ( 0.000 -3.749 8.151) 8.971 21.032 ( 0.000 -0.928 -0.763) 1.201 21.226 ( 0.000 1.975 4.089) 4.541 21.313 ( 0.000 -1.310 -9.493) 9.583 21.379 ( 0.000 -0.320 4.192) 4.204 21.542 ( 0.000 0.578 -11.915) 11.929 21.777 ( 0.000 4.019 -6.705) 7.817 22.201 ( 0.000 0.421 -16.894) 16.899 23.729 ( 0.000 0.126 5.752) 5.754 23.928 ( 0.000 -2.761 7.922) 8.390 24.369 ( 0.000 0.417 0.679) 0.797 24.543 ( 0.000 2.181 -5.792) 6.189 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.015 12.514 18.560) 22.385 2.387 ( 9.641 12.610 20.572) 25.984 2.774 ( 4.966 -9.987 17.807) 21.012 3.038 ( -1.474 2.323 0.206) 2.759 3.115 ( 0.298 0.984 4.299) 4.420 3.213 ( 1.045 -5.256 7.240) 9.007 3.748 ( -3.370 5.864 0.217) 6.767 3.887 ( -0.313 6.201 2.333) 6.632 4.044 ( -1.454 3.276 -7.326) 8.156 4.158 ( 1.101 4.511 21.404) 21.902 4.327 ( 9.510 1.400 -2.498) 9.932 4.381 ( -0.281 0.576 2.823) 2.895 4.622 ( -0.999 1.740 -2.069) 2.882 4.703 ( 1.095 4.445 -0.376) 4.593 4.913 ( 1.463 -5.874 -11.409) 12.916 5.057 ( 7.763 0.354 1.970) 8.017 5.247 ( -1.651 -3.969 13.924) 14.572 5.519 ( 5.023 -9.372 4.004) 11.362 5.707 ( -7.725 -0.611 -7.409) 10.721 5.919 ( 3.486 -0.375 -2.778) 4.473 6.087 ( 5.820 -2.687 3.199) 7.165 6.584 ( 10.022 -0.874 -4.370) 10.968 6.937 ( 4.748 -1.694 -7.414) 8.966 7.089 ( 1.856 0.639 2.561) 3.227 7.785 ( 3.822 1.172 10.039) 10.806 8.161 ( -2.616 -0.883 -3.507) 4.463 8.301 ( -0.860 0.447 0.503) 1.092 8.412 ( 0.398 4.185 -0.908) 4.301 8.566 ( -3.626 -1.457 -1.582) 4.216 9.167 ( 5.787 -0.431 -18.314) 19.211 9.763 ( -12.311 0.676 17.610) 21.498 10.520 ( 4.438 -11.064 8.831) 14.835 10.750 ( -14.371 -1.444 -2.717) 14.697 11.287 ( 4.627 -0.964 -8.951) 10.122 11.629 ( -5.043 1.471 17.108) 17.896 12.031 ( 9.259 3.425 6.596) 11.873 20.762 ( -1.317 -3.243 10.101) 10.690 21.054 ( 1.265 0.439 -1.227) 1.816 21.148 ( -4.660 0.041 0.539) 4.691 21.340 ( 0.640 -0.028 -2.187) 2.279 21.375 ( -0.233 0.346 3.401) 3.427 21.628 ( 7.856 0.139 -14.807) 16.762 21.828 ( 5.012 3.376 -7.714) 9.799 22.156 ( -4.449 0.282 -15.578) 16.203 23.712 ( -1.258 -0.012 6.531) 6.651 24.001 ( 6.753 -2.442 4.811) 8.644 24.348 ( -2.418 0.458 0.631) 2.540 24.523 ( -1.660 1.733 -4.834) 5.397 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 2.979 6.107 16.151) 17.522 2.550 ( 7.140 9.345 16.201) 20.020 2.853 ( 1.150 -3.221 10.851) 11.377 3.028 ( 0.017 0.922 -1.529) 1.786 3.142 ( 2.584 -0.956 7.653) 8.134 3.251 ( 3.177 -5.853 9.834) 11.876 3.646 ( -6.642 3.096 3.292) 8.033 3.864 ( -1.945 1.779 4.189) 4.949 4.035 ( -0.392 -0.897 -7.602) 7.664 4.157 ( -1.396 4.535 12.992) 13.832 4.320 ( -2.774 -1.631 2.966) 4.376 4.509 ( -1.251 2.112 -4.674) 5.279 4.641 ( 12.205 4.655 4.972) 13.976 4.812 ( 5.316 6.898 -1.520) 8.840 4.958 ( 4.499 -0.247 -8.978) 10.046 5.169 ( 3.537 0.233 1.293) 3.773 5.292 ( 5.499 -2.753 10.466) 12.139 5.485 ( -6.473 -1.707 -3.511) 7.559 5.721 ( 8.602 -9.080 5.891) 13.825 5.999 ( 4.689 -0.904 -1.723) 5.077 6.276 ( 13.862 -2.536 2.641) 14.338 6.787 ( 9.747 -1.025 -6.272) 11.635 7.067 ( 8.415 -0.357 -9.237) 12.501 7.144 ( 4.061 0.446 1.113) 4.234 7.861 ( 3.053 0.932 6.016) 6.811 8.104 ( -2.136 -0.258 -2.068) 2.984 8.282 ( -1.273 -0.253 2.294) 2.636 8.425 ( 1.003 2.618 -0.045) 2.803 8.515 ( -1.591 0.454 -0.260) 1.675 9.259 ( 3.165 -0.404 -21.291) 21.528 9.438 ( -20.424 0.789 15.409) 25.597 10.349 ( -21.260 0.698 -5.592) 21.995 10.691 ( 8.445 -11.556 11.586) 18.414 11.421 ( 8.976 -0.930 -5.011) 10.322 11.546 ( -4.169 0.542 18.588) 19.058 12.162 ( 3.717 2.911 4.154) 6.289 20.755 ( 0.761 -2.218 12.345) 12.565 21.017 ( -4.108 1.517 2.962) 5.287 21.130 ( 1.913 -0.830 -1.878) 2.807 21.327 ( -1.509 1.090 2.171) 2.860 21.382 ( 0.959 0.758 0.491) 1.317 21.794 ( 7.708 -0.013 -17.572) 19.189 21.941 ( 4.904 3.194 -10.701) 12.197 22.059 ( -3.290 -0.962 -11.549) 12.047 23.696 ( -0.172 -0.075 7.442) 7.445 24.153 ( 8.045 -1.620 -0.264) 8.210 24.266 ( -5.828 0.250 1.293) 5.975 24.497 ( -0.766 0.833 -3.830) 3.993 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 7.228 0.290 13.421) 15.246 2.681 ( 6.410 6.639 12.302) 15.379 2.816 ( -4.376 0.567 6.598) 7.938 3.039 ( 1.548 1.784 -1.261) 2.677 3.155 ( -2.022 -2.318 7.375) 7.991 3.306 ( 0.305 -2.682 5.980) 6.561 3.544 ( -1.704 -1.382 10.693) 10.916 3.823 ( -2.120 -1.007 6.295) 6.718 3.996 ( -3.618 -3.528 -1.650) 5.316 4.113 ( -3.585 2.595 10.716) 11.594 4.272 ( -0.371 -1.642 -2.201) 2.771 4.479 ( -1.621 -1.452 -4.364) 4.877 4.803 ( 2.175 1.684 -0.657) 2.828 4.917 ( 6.960 7.136 -3.659) 10.619 5.100 ( 6.894 3.773 -7.576) 10.916 5.214 ( -0.951 0.859 -2.713) 3.001 5.312 ( 2.224 5.278 3.140) 6.532 5.493 ( 4.498 -2.095 13.880) 14.741 5.916 ( 10.514 -8.070 5.441) 14.327 6.092 ( 4.687 -1.962 -0.238) 5.087 6.588 ( 16.430 -1.770 0.974) 16.553 6.931 ( 4.837 -1.326 -5.454) 7.409 7.246 ( 9.991 1.281 -7.696) 12.677 7.268 ( 9.060 0.526 -3.827) 9.849 7.877 ( -0.782 0.435 0.121) 0.903 8.112 ( 2.691 -0.340 1.741) 3.223 8.244 ( -2.834 -1.574 4.811) 5.801 8.446 ( 0.333 2.302 -0.092) 2.327 8.494 ( -0.502 0.289 0.897) 1.067 9.005 ( -22.709 1.012 12.854) 26.114 9.303 ( 1.712 -0.161 -21.904) 21.972 9.925 ( -21.260 0.596 -9.059) 23.117 10.881 ( 10.634 -8.563 14.231) 19.721 11.438 ( -6.460 -0.521 19.157) 20.223 11.632 ( 11.718 -0.973 -1.931) 11.916 12.168 ( -2.982 2.067 2.700) 4.522 20.786 ( 2.261 -1.323 12.602) 12.872 20.943 ( -3.354 0.485 6.600) 7.420 21.175 ( 2.427 0.256 -1.634) 2.937 21.294 ( -1.767 1.698 2.498) 3.499 21.415 ( 2.751 0.802 -0.932) 3.013 21.794 ( -7.182 1.287 -13.005) 14.912 22.028 ( 6.920 0.411 -14.755) 16.303 22.118 ( 5.301 -0.360 -12.430) 13.518 23.716 ( 2.535 -0.093 8.327) 8.704 24.115 ( -8.410 0.363 4.206) 9.410 24.310 ( 6.685 -1.264 -4.573) 8.198 24.488 ( -0.477 0.240 -4.412) 4.444 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 10.236 -1.456 9.529) 14.060 2.651 ( -9.123 -0.366 5.517) 10.668 2.837 ( 6.066 3.974 11.593) 13.674 3.030 ( -4.717 3.083 11.716) 13.001 3.138 ( 3.778 -0.398 -2.735) 4.681 3.240 ( -5.517 0.792 -1.511) 5.774 3.603 ( 5.748 -5.431 13.479) 15.628 3.760 ( -4.920 -5.663 8.560) 11.382 3.946 ( -0.435 0.298 4.689) 4.719 4.029 ( -3.763 0.462 10.725) 11.376 4.320 ( 4.004 -2.537 -3.506) 5.896 4.424 ( -3.843 -4.949 -6.083) 8.733 4.855 ( 3.943 3.852 -3.182) 6.365 4.950 ( -3.519 5.359 -9.569) 11.519 5.160 ( 2.169 2.311 -5.124) 6.025 5.198 ( -0.491 0.829 -8.104) 8.161 5.431 ( 5.851 7.162 10.671) 14.121 5.538 ( -0.081 1.858 14.593) 14.711 6.080 ( 5.156 -4.898 1.917) 7.365 6.163 ( 2.136 -4.632 3.876) 6.406 6.836 ( 8.423 -0.061 -1.392) 8.537 6.965 ( -1.248 -1.089 -3.205) 3.608 7.422 ( 6.287 2.165 -11.205) 13.029 7.456 ( 7.056 1.772 -6.173) 9.541 7.914 ( 7.797 -1.502 3.266) 8.586 8.128 ( -7.768 -2.000 7.492) 10.976 8.203 ( 3.378 -0.887 2.039) 4.044 8.359 ( -8.790 -0.176 0.815) 8.829 8.527 ( 3.246 1.257 2.883) 4.520 8.652 ( -10.796 1.342 7.504) 13.216 9.368 ( 6.026 0.235 -19.053) 19.985 9.568 ( -14.833 0.483 -14.046) 20.434 11.087 ( 10.286 -5.156 16.892) 20.438 11.288 ( -8.757 -2.847 18.491) 20.657 11.861 ( 11.424 -0.101 0.104) 11.425 12.056 ( -8.303 0.977 1.540) 8.501 20.832 ( 2.295 -0.569 11.245) 11.491 20.887 ( -2.451 -0.360 9.515) 9.832 21.218 ( 1.800 1.318 0.084) 2.233 21.262 ( -1.506 1.426 1.970) 2.860 21.497 ( 5.689 0.844 -4.042) 7.030 21.637 ( -8.040 0.922 -7.862) 11.283 22.146 ( 4.415 0.007 -15.980) 16.579 22.183 ( 0.894 -0.106 -15.066) 15.093 23.800 ( 6.184 -0.078 8.360) 10.399 23.946 ( -8.571 0.036 6.778) 10.927 24.414 ( 3.997 -0.544 -5.885) 7.135 24.469 ( -1.644 -0.177 -5.514) 5.757 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 0.000 -0.000 30.369) 30.369 2.448 ( 0.000 0.000 17.668) 17.668 2.468 ( 0.000 0.000 8.937) 8.937 3.038 ( 0.000 0.000 18.080) 18.080 3.132 ( 0.000 0.000 2.857) 2.857 3.185 ( 0.000 0.000 -4.304) 4.304 3.864 ( 0.000 0.000 -3.175) 3.175 4.042 ( 0.000 0.000 -3.025) 3.025 4.079 ( 0.000 -0.000 -2.015) 2.015 4.145 ( 0.000 0.000 -7.550) 7.550 4.240 ( 0.000 -0.000 13.832) 13.832 4.464 ( 0.000 0.000 3.461) 3.461 4.609 ( 0.000 0.000 15.112) 15.112 4.653 ( 0.000 -0.000 -22.959) 22.959 4.802 ( 0.000 -0.000 -3.744) 3.744 5.121 ( 0.000 -0.000 4.194) 4.194 5.229 ( 0.000 0.000 14.304) 14.304 5.259 ( 0.000 0.000 11.922) 11.922 5.847 ( 0.000 0.000 -11.836) 11.836 5.856 ( 0.000 -0.000 -6.338) 6.338 5.994 ( 0.000 0.000 3.451) 3.451 6.454 ( 0.000 0.000 -1.114) 1.114 6.869 ( 0.000 0.000 -6.958) 6.958 7.077 ( 0.000 -0.000 4.699) 4.699 7.760 ( 0.000 0.000 10.122) 10.122 8.173 ( 0.000 -0.000 -4.168) 4.168 8.315 ( 0.000 0.000 -0.300) 0.300 8.517 ( 0.000 0.000 -0.628) 0.628 8.531 ( 0.000 -0.000 -2.445) 2.445 9.093 ( 0.000 0.000 -16.005) 16.005 9.892 ( 0.000 0.000 18.777) 18.777 10.336 ( 0.000 0.000 10.842) 10.842 10.900 ( 0.000 0.000 -3.134) 3.134 11.233 ( 0.000 0.000 -11.302) 11.302 11.737 ( 0.000 0.000 14.825) 14.825 11.926 ( 0.000 0.000 9.503) 9.503 20.742 ( 0.000 0.000 10.026) 10.026 21.022 ( 0.000 0.000 -1.129) 1.129 21.247 ( 0.000 -0.000 4.624) 4.624 21.300 ( 0.000 0.000 -10.199) 10.199 21.376 ( 0.000 0.000 3.788) 3.788 21.549 ( 0.000 0.000 -11.572) 11.572 21.818 ( 0.000 0.000 -6.385) 6.385 22.206 ( 0.000 0.000 -17.332) 17.332 23.731 ( 0.000 0.000 5.769) 5.769 23.899 ( 0.000 0.000 8.839) 8.839 24.374 ( 0.000 0.000 0.801) 0.801 24.566 ( 0.000 0.000 -6.178) 6.178 ======================= Grid point 218 (77/120) ======================= q-point: ( 0.11 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -5.670 -0.000 13.755) 14.878 2.568 ( 5.307 0.000 12.393) 13.482 2.589 ( 12.599 -0.000 26.320) 29.180 3.053 ( 1.754 0.000 17.662) 17.748 3.128 ( -0.240 0.000 3.624) 3.632 3.149 ( -3.068 -0.000 -4.046) 5.078 3.814 ( -4.860 0.000 -2.704) 5.562 3.981 ( -4.535 0.000 -3.884) 5.971 4.024 ( -2.167 -0.000 -2.047) 2.981 4.241 ( -0.101 0.000 11.401) 11.402 4.305 ( 7.671 0.000 0.599) 7.695 4.480 ( 4.215 -0.000 0.534) 4.248 4.607 ( -4.323 -0.000 -15.699) 16.284 4.720 ( 10.707 0.000 8.379) 13.596 4.843 ( 4.462 -0.000 -6.441) 7.836 5.142 ( -4.373 0.000 17.264) 17.809 5.185 ( 5.457 -0.000 1.605) 5.688 5.367 ( 7.415 0.000 11.936) 14.052 5.704 ( -9.841 0.000 -10.619) 14.478 5.914 ( 3.042 0.000 -3.386) 4.552 6.051 ( 6.157 0.000 3.131) 6.907 6.573 ( 10.126 -0.000 -4.257) 10.984 6.919 ( 5.199 0.000 -7.625) 9.229 7.096 ( 1.868 -0.000 3.743) 4.183 7.799 ( 3.656 0.000 9.246) 9.943 8.151 ( -2.256 0.000 -4.181) 4.751 8.306 ( -0.881 0.000 0.354) 0.949 8.490 ( -2.893 0.000 -1.357) 3.195 8.518 ( 0.043 -0.000 -0.684) 0.685 9.161 ( 5.518 0.000 -18.169) 18.988 9.771 ( -12.179 0.000 17.996) 21.730 10.395 ( 6.034 0.000 11.357) 12.860 10.739 ( -15.555 0.000 -3.765) 16.004 11.276 ( 4.573 0.000 -9.598) 10.632 11.644 ( -5.317 0.000 17.521) 18.310 12.066 ( 9.026 0.000 6.742) 11.265 20.728 ( -0.798 0.000 11.370) 11.398 21.059 ( 3.058 0.000 -1.907) 3.604 21.147 ( -6.349 0.000 0.027) 6.349 21.342 ( 0.989 0.000 -1.459) 1.763 21.379 ( 0.373 0.000 3.249) 3.270 21.630 ( 7.572 0.000 -14.788) 16.614 21.864 ( 4.592 0.000 -7.205) 8.544 22.160 ( -4.671 0.000 -16.064) 16.729 23.712 ( -1.329 0.000 6.603) 6.735 23.976 ( 7.019 0.000 5.712) 9.049 24.353 ( -2.408 0.000 0.762) 2.526 24.542 ( -2.098 0.000 -5.169) 5.579 ======================= Grid point 220 (78/120) ======================= q-point: ( 0.22 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -1.960 -0.000 13.616) 13.756 2.669 ( 5.314 0.000 10.720) 11.965 2.797 ( 6.098 0.000 14.349) 15.591 3.097 ( -1.709 -0.000 -3.137) 3.572 3.113 ( 3.443 0.000 15.519) 15.897 3.138 ( 2.424 -0.000 9.735) 10.033 3.685 ( -8.174 0.000 -0.592) 8.196 3.925 ( -1.370 0.000 -1.993) 2.418 3.953 ( -5.145 -0.000 -0.813) 5.209 4.221 ( -2.274 0.000 9.449) 9.719 4.324 ( -2.498 0.000 3.578) 4.364 4.513 ( -4.930 -0.000 -9.736) 10.913 4.690 ( 12.950 0.000 -2.094) 13.118 4.922 ( 6.331 -0.000 -3.842) 7.406 4.958 ( 6.712 0.000 -7.676) 10.197 5.152 ( 8.994 0.000 23.982) 25.613 5.276 ( 2.093 -0.000 -2.005) 2.898 5.529 ( -6.409 -0.000 -4.559) 7.865 5.546 ( 11.043 0.000 11.551) 15.980 5.986 ( 4.373 0.000 -1.770) 4.717 6.245 ( 14.122 -0.000 2.336) 14.314 6.773 ( 9.489 -0.000 -6.160) 11.314 7.065 ( 9.558 0.000 -9.880) 13.747 7.148 ( 3.751 0.000 2.463) 4.487 7.873 ( 2.917 0.000 5.629) 6.340 8.102 ( -1.905 0.000 -2.925) 3.490 8.280 ( -1.940 0.000 2.174) 2.914 8.458 ( -0.124 -0.000 -0.009) 0.125 8.515 ( -0.549 0.000 -0.852) 1.013 9.254 ( 3.505 0.000 -21.426) 21.710 9.447 ( -20.521 0.000 16.021) 26.034 10.361 ( -22.043 0.000 -5.367) 22.686 10.558 ( 10.503 0.000 12.966) 16.687 11.411 ( 9.243 0.000 -5.822) 10.923 11.551 ( -5.010 0.000 19.333) 19.972 12.192 ( 3.370 0.000 4.127) 5.328 20.732 ( 1.313 0.000 12.917) 12.984 21.034 ( -5.168 0.000 3.027) 5.989 21.119 ( 3.068 0.000 -2.484) 3.947 21.339 ( -0.938 0.000 0.604) 1.116 21.391 ( 0.990 0.000 1.987) 2.220 21.794 ( 7.963 -0.000 -17.852) 19.548 21.982 ( 7.135 0.000 -9.510) 11.889 22.043 ( -6.430 0.000 -12.489) 14.047 23.695 ( -0.188 0.000 7.459) 7.461 24.136 ( 8.860 0.000 0.289) 8.864 24.269 ( -6.351 0.000 1.631) 6.557 24.507 ( -1.211 0.000 -3.993) 4.173 ======================= Grid point 222 (79/120) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 4.585 0.000 12.719) 13.521 2.780 ( 6.271 -0.000 8.018) 10.179 2.801 ( -4.826 0.000 5.116) 7.034 3.097 ( 1.790 -0.000 -1.550) 2.368 3.125 ( -1.926 0.000 8.166) 8.390 3.231 ( 4.863 -0.000 15.593) 16.333 3.533 ( -6.168 0.000 3.631) 7.157 3.830 ( -7.433 0.000 1.237) 7.535 3.923 ( 1.012 -0.000 2.429) 2.631 4.149 ( -4.981 -0.000 9.907) 11.089 4.283 ( -0.979 0.000 0.497) 1.098 4.425 ( -4.175 -0.000 -6.920) 8.082 4.841 ( 3.443 0.000 -1.175) 3.638 5.052 ( 8.307 -0.000 -4.993) 9.692 5.069 ( 3.283 0.000 -9.534) 10.083 5.222 ( -5.005 0.000 -6.763) 8.413 5.391 ( 11.273 -0.000 16.161) 19.704 5.509 ( 2.486 0.000 6.629) 7.079 5.786 ( 13.425 0.000 11.279) 17.534 6.070 ( 3.771 0.000 -0.442) 3.797 6.568 ( 17.401 -0.000 0.674) 17.414 6.916 ( 4.913 -0.000 -5.717) 7.538 7.267 ( 9.345 -0.000 1.313) 9.437 7.268 ( 10.758 0.000 -12.071) 16.169 7.882 ( -1.468 0.000 0.115) 1.472 8.111 ( 2.820 0.000 0.547) 2.873 8.226 ( -3.835 0.000 4.808) 6.150 8.481 ( 2.221 -0.000 0.895) 2.394 8.486 ( -3.062 0.000 -1.154) 3.272 9.017 ( -22.664 0.000 13.110) 26.182 9.301 ( 2.006 0.000 -22.025) 22.116 9.933 ( -21.352 0.000 -8.804) 23.095 10.785 ( 12.593 0.000 15.387) 19.883 11.432 ( -7.607 0.000 19.768) 21.181 11.622 ( 12.154 0.000 -2.366) 12.382 12.189 ( -3.519 0.000 2.561) 4.352 20.773 ( 2.678 0.000 12.917) 13.192 20.948 ( -3.832 0.000 6.600) 7.632 21.178 ( 2.996 0.000 -1.943) 3.571 21.313 ( -1.649 0.000 1.190) 2.033 21.425 ( 2.736 0.000 -0.050) 2.736 21.808 ( -7.169 -0.000 -13.594) 15.368 22.034 ( 6.094 0.000 -14.094) 15.355 22.113 ( 5.755 0.000 -12.569) 13.824 23.715 ( 2.532 0.000 8.301) 8.678 24.119 ( -8.738 0.000 4.070) 9.640 24.295 ( 7.248 0.000 -3.920) 8.240 24.491 ( -0.746 0.000 -4.458) 4.520 ======================= Grid point 224 (80/120) ======================= q-point: ( 0.44 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 10.128 0.000 10.140) 14.331 2.642 ( -10.694 0.000 6.322) 12.423 2.911 ( 7.113 -0.000 6.519) 9.648 3.042 ( -6.060 0.000 7.667) 9.773 3.160 ( 4.490 0.000 -0.440) 4.511 3.250 ( -3.566 0.000 1.199) 3.762 3.523 ( 5.599 0.000 11.377) 12.680 3.673 ( -8.538 -0.000 6.039) 10.458 3.963 ( 3.230 -0.000 6.976) 7.688 4.046 ( -5.186 -0.000 9.500) 10.823 4.294 ( 1.984 0.000 -2.320) 3.053 4.350 ( -3.526 -0.000 -4.500) 5.717 4.912 ( 4.683 0.000 -3.174) 5.657 5.021 ( -6.038 0.000 -6.861) 9.140 5.175 ( 3.724 -0.000 -9.184) 9.910 5.198 ( 0.698 0.000 -9.721) 9.746 5.532 ( 3.617 -0.000 14.225) 14.678 5.551 ( 1.123 0.000 12.154) 12.206 6.017 ( 8.959 0.000 7.751) 11.846 6.107 ( -0.651 0.000 2.749) 2.826 6.839 ( 9.843 0.000 -1.701) 9.989 6.950 ( -1.758 -0.000 -4.129) 4.488 7.451 ( 7.249 0.000 -11.714) 13.775 7.473 ( 7.447 0.000 -5.004) 8.972 7.896 ( 6.444 0.000 3.563) 7.364 8.107 ( -9.713 0.000 7.604) 12.335 8.193 ( 5.742 0.000 1.385) 5.907 8.356 ( -10.443 0.000 0.101) 10.443 8.540 ( 3.999 0.000 2.338) 4.633 8.665 ( -11.175 0.000 7.107) 13.244 9.370 ( 6.274 0.000 -19.124) 20.127 9.574 ( -14.971 0.000 -13.950) 20.463 11.031 ( 12.465 0.000 17.697) 21.646 11.255 ( -10.565 0.000 19.215) 21.928 11.860 ( 11.977 0.000 -0.097) 11.977 12.066 ( -8.922 0.000 1.358) 9.024 20.827 ( 2.837 0.000 11.588) 11.930 20.883 ( -3.024 0.000 9.461) 9.932 21.232 ( 2.583 0.000 -0.197) 2.591 21.277 ( -2.065 0.000 1.090) 2.335 21.507 ( 5.860 0.000 -3.685) 6.922 21.647 ( -8.341 0.000 -8.046) 11.589 22.147 ( 4.356 0.000 -15.893) 16.480 22.182 ( 0.939 0.000 -15.068) 15.097 23.799 ( 6.218 0.000 8.304) 10.374 23.947 ( -8.696 0.000 6.697) 10.976 24.408 ( 4.372 0.000 -5.644) 7.139 24.467 ( -1.927 0.000 -5.440) 5.771 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 0.000 17.784) 17.784 2.339 ( 0.000 0.000 29.190) 29.190 2.759 ( 0.000 0.000 -10.838) 10.838 3.035 ( 0.000 0.000 -3.009) 3.009 3.363 ( 0.000 0.000 -0.226) 0.226 3.392 ( 0.000 0.000 20.880) 20.880 3.529 ( 0.000 0.000 -10.528) 10.528 3.669 ( 0.000 0.000 5.393) 5.393 3.903 ( 0.000 0.000 -1.241) 1.241 4.109 ( 0.000 0.000 -10.687) 10.687 4.426 ( 0.000 0.000 -0.512) 0.512 4.551 ( 0.000 0.000 6.101) 6.101 4.686 ( 0.000 0.000 8.731) 8.731 4.717 ( 0.000 0.000 -12.423) 12.423 4.864 ( 0.000 0.000 31.821) 31.821 5.035 ( 0.000 0.000 -13.905) 13.905 5.205 ( 0.000 0.000 -4.319) 4.319 5.793 ( 0.000 0.000 -7.194) 7.194 5.805 ( 0.000 0.000 2.068) 2.068 5.813 ( 0.000 0.000 1.524) 1.524 6.290 ( 0.000 0.000 20.139) 20.139 6.543 ( 0.000 0.000 4.637) 4.637 6.814 ( 0.000 0.000 -7.998) 7.998 6.965 ( 0.000 0.000 -9.584) 9.584 7.958 ( 0.000 0.000 12.060) 12.060 8.231 ( 0.000 0.000 -1.104) 1.104 8.267 ( 0.000 0.000 -0.720) 0.720 8.279 ( 0.000 0.000 -0.612) 0.612 8.568 ( 0.000 0.000 -3.023) 3.023 8.780 ( 0.000 0.000 -15.187) 15.187 10.195 ( 0.000 0.000 16.576) 16.576 10.724 ( 0.000 0.000 -10.544) 10.544 11.057 ( 0.000 0.000 -0.299) 0.299 11.138 ( 0.000 0.000 -5.639) 5.639 11.852 ( 0.000 0.000 8.635) 8.635 11.878 ( 0.000 0.000 7.236) 7.236 20.928 ( 0.000 0.000 1.002) 1.002 21.084 ( 0.000 0.000 -4.175) 4.175 21.180 ( 0.000 0.000 5.022) 5.022 21.325 ( 0.000 0.000 -5.818) 5.818 21.362 ( 0.000 0.000 -4.910) 4.910 21.396 ( 0.000 0.000 -5.598) 5.598 21.525 ( 0.000 0.000 8.026) 8.026 21.916 ( 0.000 0.000 -12.867) 12.867 23.843 ( 0.000 0.000 6.464) 6.464 24.044 ( 0.000 0.000 -2.731) 2.731 24.359 ( 0.000 0.000 0.264) 0.264 24.402 ( 0.000 0.000 -2.102) 2.102 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 8.010 0.000 15.511) 17.457 2.418 ( 7.893 0.000 28.398) 29.474 2.799 ( 3.378 0.000 -9.945) 10.503 3.060 ( 1.958 0.000 -0.686) 2.075 3.334 ( -3.110 0.000 -1.082) 3.292 3.403 ( 1.819 0.000 17.115) 17.212 3.532 ( 1.010 0.000 -11.575) 11.619 3.750 ( 7.068 0.000 5.510) 8.962 3.873 ( -0.101 0.000 0.750) 0.757 4.241 ( 10.422 0.000 -8.938) 13.730 4.359 ( -5.881 0.000 1.131) 5.989 4.514 ( -3.556 0.000 6.541) 7.445 4.680 ( -0.461 0.000 9.678) 9.689 4.712 ( -0.799 0.000 -12.781) 12.806 4.908 ( 4.194 0.000 28.579) 28.885 5.035 ( -0.011 0.000 -14.146) 14.146 5.212 ( 0.693 0.000 -2.926) 3.007 5.804 ( 0.539 0.000 3.429) 3.472 5.817 ( 2.602 0.000 -6.654) 7.145 5.855 ( 3.248 0.000 -0.124) 3.250 6.325 ( 4.023 0.000 18.130) 18.571 6.615 ( 7.003 0.000 3.906) 8.018 6.865 ( 4.886 0.000 -7.613) 9.046 6.964 ( 0.130 0.000 -9.533) 9.533 7.962 ( -0.033 0.000 9.339) 9.339 8.185 ( -3.623 0.000 -1.451) 3.902 8.276 ( 0.986 0.000 -0.332) 1.040 8.294 ( 1.466 0.000 -0.499) 1.549 8.555 ( -0.529 0.000 0.541) 0.757 8.829 ( 3.744 0.000 -16.323) 16.746 10.056 ( -13.822 0.000 15.907) 21.074 10.562 ( -15.629 0.000 -10.048) 18.580 11.093 ( 3.926 0.000 1.089) 4.074 11.211 ( 7.061 0.000 -5.707) 9.079 11.817 ( -0.687 0.000 11.885) 11.905 11.982 ( 6.401 0.000 3.287) 7.196 20.935 ( 0.798 0.000 1.687) 1.867 21.088 ( 0.510 0.000 -3.857) 3.890 21.149 ( -2.293 0.000 7.504) 7.846 21.310 ( -0.018 0.000 -2.247) 2.247 21.436 ( 1.915 0.000 -3.443) 3.940 21.438 ( 6.055 0.000 -8.755) 10.644 21.529 ( 1.279 0.000 3.518) 3.744 21.896 ( -1.783 0.000 -12.050) 12.181 23.840 ( -0.139 0.000 6.945) 6.947 24.068 ( 2.381 0.000 -3.934) 4.599 24.338 ( -2.031 0.000 0.893) 2.219 24.404 ( 0.116 0.000 -2.527) 2.530 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 6.007 0.000 12.161) 13.564 2.624 ( 12.591 0.000 25.906) 28.804 2.859 ( 2.467 0.000 -8.599) 8.946 3.068 ( -1.963 0.000 5.607) 5.940 3.250 ( -5.157 0.000 -4.042) 6.552 3.468 ( 4.232 0.000 13.367) 14.021 3.599 ( 6.381 0.000 -13.382) 14.826 3.859 ( 4.060 0.000 -4.622) 6.152 3.965 ( 8.106 0.000 14.837) 16.907 4.247 ( -4.690 0.000 3.784) 6.026 4.429 ( 7.426 0.000 -6.944) 10.166 4.430 ( -4.665 0.000 7.618) 8.933 4.675 ( 0.260 0.000 7.629) 7.634 4.686 ( -1.573 0.000 -12.057) 12.159 4.999 ( 3.753 0.000 15.650) 16.094 5.031 ( -0.616 0.000 -13.420) 13.434 5.241 ( 3.348 0.000 7.689) 8.386 5.807 ( -0.688 0.000 4.906) 4.954 5.898 ( 5.819 0.000 -5.390) 7.932 5.937 ( 5.177 0.000 -3.257) 6.116 6.464 ( 10.582 0.000 11.741) 15.806 6.783 ( 9.507 0.000 2.341) 9.791 6.979 ( 6.227 0.000 -6.761) 9.191 6.984 ( 2.421 0.000 -9.481) 9.785 7.935 ( -2.503 0.000 4.992) 5.584 8.150 ( 0.752 0.000 -1.421) 1.608 8.305 ( 1.993 0.000 0.501) 2.055 8.332 ( 2.333 0.000 0.125) 2.336 8.558 ( 0.701 0.000 4.845) 4.896 8.893 ( 2.657 0.000 -16.518) 16.730 9.695 ( -22.564 0.000 14.585) 26.868 10.174 ( -23.287 0.000 -9.986) 25.338 11.204 ( 7.273 0.000 4.303) 8.450 11.389 ( 10.897 0.000 -5.502) 12.208 11.807 ( -0.976 0.000 13.901) 13.935 12.079 ( 3.093 0.000 -0.043) 3.093 20.959 ( 1.573 0.000 3.323) 3.676 21.105 ( 1.251 0.000 -3.168) 3.406 21.113 ( -1.315 0.000 10.279) 10.362 21.330 ( 2.003 0.000 0.592) 2.089 21.422 ( -2.581 0.000 4.648) 5.316 21.573 ( 1.539 0.000 -7.050) 7.216 21.575 ( 7.835 0.000 -11.978) 14.313 21.870 ( -0.193 0.000 -10.801) 10.803 23.846 ( 0.937 0.000 7.971) 8.026 24.131 ( 3.927 0.000 -6.324) 7.444 24.282 ( -3.799 0.000 2.519) 4.558 24.403 ( -0.349 0.000 -3.615) 3.632 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 3.947 0.000 9.910) 10.667 2.823 ( 3.068 0.000 14.222) 14.550 2.896 ( 1.705 0.000 -7.801) 7.985 3.036 ( 2.981 0.000 17.418) 17.671 3.152 ( -3.917 0.000 -6.038) 7.197 3.528 ( 0.914 0.000 13.828) 13.858 3.766 ( 9.862 0.000 -12.212) 15.697 3.934 ( 3.557 0.000 -1.697) 3.941 4.095 ( 4.445 0.000 14.278) 14.954 4.194 ( -1.213 0.000 7.067) 7.170 4.352 ( -2.794 0.000 7.742) 8.230 4.488 ( -1.068 0.000 -0.055) 1.069 4.663 ( -0.443 0.000 -10.219) 10.229 4.706 ( 2.769 0.000 -1.517) 3.157 4.993 ( -3.867 0.000 -3.261) 5.059 5.006 ( -2.035 0.000 -11.479) 11.658 5.374 ( 9.366 0.000 21.694) 23.630 5.770 ( -3.144 0.000 7.678) 8.296 6.032 ( 7.283 0.000 -6.131) 9.520 6.044 ( 5.517 0.000 -7.403) 9.232 6.702 ( 12.352 0.000 4.963) 13.312 6.945 ( 6.162 0.000 1.012) 6.244 7.073 ( 6.744 0.000 -10.046) 12.100 7.088 ( 5.076 0.000 -6.554) 8.289 7.917 ( 2.283 0.000 6.250) 6.654 8.207 ( 4.861 0.000 -2.526) 5.478 8.347 ( 1.896 0.000 1.278) 2.287 8.373 ( 1.428 0.000 1.653) 2.185 8.574 ( 0.772 0.000 7.071) 7.113 8.940 ( 2.786 0.000 -15.569) 15.816 9.221 ( -25.472 0.000 13.315) 28.742 9.704 ( -24.308 0.000 -11.436) 26.864 11.361 ( 8.599 0.000 7.989) 11.738 11.613 ( 11.834 0.000 -4.921) 12.817 11.764 ( -3.633 0.000 14.406) 14.857 12.090 ( -2.114 0.000 -2.139) 3.007 20.994 ( 1.987 0.000 5.180) 5.548 21.092 ( -1.065 0.000 10.420) 10.475 21.140 ( 2.429 0.000 -2.282) 3.333 21.358 ( -3.883 0.000 4.639) 6.050 21.380 ( 2.974 0.000 2.514) 3.894 21.559 ( -2.475 0.000 -5.305) 5.854 21.726 ( 7.383 0.000 -14.094) 15.910 21.892 ( 1.663 0.000 -12.427) 12.538 23.884 ( 3.127 0.000 8.816) 9.354 24.193 ( -5.383 0.000 4.774) 7.195 24.213 ( 4.355 0.000 -7.991) 9.100 24.388 ( -1.240 0.000 -5.182) 5.328 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 4.994 0.000 8.296) 9.683 2.749 ( -6.363 0.000 7.464) 9.808 2.939 ( 3.036 0.000 -6.885) 7.524 3.016 ( -4.657 0.000 -4.231) 6.292 3.277 ( 12.164 0.000 19.345) 22.852 3.472 ( -6.954 0.000 17.492) 18.824 3.936 ( 6.681 0.000 -9.831) 11.887 3.988 ( 1.267 0.000 -4.878) 5.040 4.135 ( 0.562 0.000 16.464) 16.473 4.164 ( -2.258 0.000 15.108) 15.275 4.354 ( 3.028 0.000 2.939) 4.220 4.430 ( -4.008 0.000 1.616) 4.322 4.681 ( 2.425 0.000 -8.612) 8.947 4.734 ( -1.296 0.000 -6.931) 7.051 4.923 ( -1.089 0.000 -7.134) 7.217 4.955 ( -2.923 0.000 -9.196) 9.649 5.550 ( 8.247 0.000 18.255) 20.031 5.685 ( -5.693 0.000 12.278) 13.533 6.131 ( 2.974 0.000 -10.017) 10.449 6.137 ( 2.763 0.000 -9.184) 9.591 6.895 ( 7.470 0.000 2.957) 8.034 6.988 ( -1.749 0.000 1.759) 2.481 7.178 ( 3.656 0.000 -8.964) 9.681 7.190 ( 3.258 0.000 -11.481) 11.934 8.072 ( 13.564 0.000 8.759) 16.146 8.317 ( -7.416 0.000 4.215) 8.530 8.321 ( 5.965 0.000 -0.619) 5.997 8.386 ( -0.376 0.000 2.125) 2.158 8.598 ( 2.810 0.000 8.248) 8.714 8.776 ( -17.799 0.000 11.409) 21.142 9.031 ( 7.780 0.000 -15.320) 17.182 9.281 ( -18.264 0.000 -14.063) 23.051 11.525 ( 8.132 0.000 11.261) 13.890 11.667 ( -6.339 0.000 13.503) 14.917 11.831 ( 10.355 0.000 -4.237) 11.188 12.001 ( -6.929 0.000 -3.411) 7.724 21.032 ( 1.956 0.000 6.946) 7.216 21.067 ( -1.571 0.000 8.800) 8.939 21.199 ( 3.689 0.000 -0.763) 3.767 21.278 ( -4.277 0.000 1.850) 4.660 21.440 ( 3.165 0.000 2.715) 4.170 21.501 ( -3.192 0.000 -0.118) 3.195 21.847 ( 4.798 0.000 -15.021) 15.768 21.903 ( -1.003 0.000 -14.497) 14.532 23.966 ( 5.294 0.000 8.632) 10.126 24.079 ( -6.119 0.000 7.090) 9.366 24.292 ( 3.720 0.000 -8.083) 8.898 24.352 ( -2.486 0.000 -6.890) 7.325 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.000 7.380 16.963) 18.499 2.458 ( 0.000 10.408 26.889) 28.833 2.825 ( 0.000 6.093 -9.349) 11.159 3.084 ( 0.000 3.376 0.544) 3.419 3.323 ( 0.000 -5.506 18.937) 19.721 3.349 ( 0.000 -1.385 0.510) 1.476 3.578 ( 0.000 4.954 -11.314) 12.351 3.705 ( 0.000 3.247 3.773) 4.978 3.928 ( 0.000 2.240 -1.981) 2.990 4.073 ( 0.000 -3.373 -11.304) 11.797 4.396 ( 0.000 -3.030 -1.475) 3.370 4.536 ( 0.000 -4.514 2.119) 4.986 4.607 ( 0.000 -1.684 -5.357) 5.616 4.826 ( 0.000 -2.530 15.086) 15.297 4.835 ( 0.000 7.917 4.865) 9.293 4.998 ( 0.000 -2.725 5.646) 6.269 5.289 ( 0.000 6.416 -6.266) 8.969 5.698 ( 0.000 -6.629 -2.019) 6.930 5.760 ( 0.000 -3.669 1.828) 4.099 5.823 ( 0.000 -1.237 -3.330) 3.552 6.308 ( 0.000 1.052 20.724) 20.750 6.531 ( 0.000 -0.983 4.538) 4.643 6.795 ( 0.000 -1.707 -7.571) 7.761 6.995 ( 0.000 2.611 -8.427) 8.822 7.944 ( 0.000 -0.991 10.473) 10.520 8.183 ( 0.000 -3.175 -2.318) 3.932 8.301 ( 0.000 3.108 -0.428) 3.137 8.308 ( 0.000 1.428 0.598) 1.548 8.572 ( 0.000 0.116 -2.903) 2.906 8.782 ( 0.000 0.090 -15.163) 15.163 10.207 ( 0.000 1.070 16.743) 16.777 10.709 ( 0.000 -1.856 -8.129) 8.338 10.939 ( 0.000 -9.077 1.525) 9.204 11.102 ( 0.000 -3.078 -7.379) 7.995 11.903 ( 0.000 2.194 7.906) 8.205 11.923 ( 0.000 5.467 6.615) 8.581 20.915 ( 0.000 -1.150 2.007) 2.313 21.047 ( 0.000 -2.430 -2.309) 3.352 21.210 ( 0.000 1.635 -0.343) 1.671 21.252 ( 0.000 -4.923 -4.285) 6.527 21.349 ( 0.000 2.394 -2.018) 3.131 21.524 ( 0.000 -0.180 7.739) 7.741 21.529 ( 0.000 6.926 -6.508) 9.504 21.915 ( 0.000 -0.135 -13.032) 13.033 23.844 ( 0.000 0.078 6.376) 6.377 24.028 ( 0.000 -1.346 -1.641) 2.122 24.366 ( 0.000 0.639 0.409) 0.758 24.420 ( 0.000 1.553 -2.713) 3.126 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 3.412 3.827 17.157) 17.907 2.561 ( 8.738 10.405 23.627) 27.255 2.834 ( 0.991 3.958 -8.222) 9.179 3.098 ( 0.597 2.203 2.525) 3.404 3.299 ( -2.032 -3.099 4.267) 5.651 3.389 ( 3.546 -1.307 11.362) 11.974 3.602 ( 2.836 6.594 -11.545) 13.594 3.755 ( 4.584 0.986 3.414) 5.800 3.892 ( -0.531 1.601 -0.394) 1.733 4.202 ( 8.830 -3.497 -8.621) 12.826 4.350 ( -3.024 -1.365 -1.138) 3.508 4.521 ( -1.971 -1.065 6.732) 7.095 4.587 ( -1.327 -4.443 -7.347) 8.688 4.788 ( -3.079 2.455 -0.593) 3.982 4.871 ( 3.466 0.092 15.516) 15.899 5.039 ( 3.568 -0.037 4.276) 5.570 5.283 ( -0.719 6.078 -4.409) 7.543 5.708 ( 1.219 -6.717 0.765) 6.870 5.786 ( 3.317 -3.376 1.399) 4.935 5.860 ( 3.178 -0.722 -4.047) 5.196 6.339 ( 3.611 0.787 18.828) 19.187 6.603 ( 6.985 -0.981 3.624) 7.930 6.841 ( 4.344 -1.955 -7.340) 8.750 7.000 ( 0.795 2.982 -8.333) 8.886 7.952 ( 0.361 -0.796 8.098) 8.145 8.146 ( -3.160 -2.684 -2.325) 4.754 8.298 ( 0.581 1.151 0.337) 1.333 8.328 ( 1.387 3.097 -0.178) 3.398 8.554 ( -0.968 -0.208 0.191) 1.008 8.827 ( 3.496 -0.207 -16.337) 16.708 10.068 ( -13.778 1.104 16.110) 21.227 10.565 ( -14.787 0.270 -9.237) 17.437 10.973 ( 4.384 -10.240 3.916) 11.808 11.170 ( 6.765 -3.226 -7.002) 10.256 11.856 ( -1.350 2.935 11.563) 12.006 12.031 ( 6.226 4.042 2.430) 7.811 20.923 ( 0.924 -1.092 2.865) 3.203 21.051 ( 0.536 -2.084 -1.506) 2.626 21.163 ( -2.244 -0.209 2.287) 3.211 21.307 ( 2.341 -0.148 -1.677) 2.884 21.385 ( 4.063 0.060 -5.885) 7.152 21.506 ( -0.825 0.855 5.818) 5.938 21.577 ( 3.731 5.146 -6.981) 9.441 21.894 ( -1.909 -0.242 -12.189) 12.340 23.840 ( -0.190 0.020 6.895) 6.897 24.054 ( 2.584 -1.151 -2.992) 4.117 24.347 ( -2.009 0.713 0.852) 2.295 24.417 ( -0.268 1.153 -2.879) 3.113 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 5.289 -0.794 14.251) 15.222 2.727 ( 7.431 5.566 17.084) 19.444 2.867 ( 2.634 2.695 -3.206) 4.948 3.079 ( -2.547 0.608 6.837) 7.321 3.243 ( -3.787 -0.644 -2.748) 4.723 3.468 ( 4.003 0.115 11.057) 11.760 3.687 ( 5.451 7.205 -10.484) 13.840 3.849 ( 4.994 -1.535 -1.899) 5.559 3.939 ( 4.427 -0.843 10.354) 11.292 4.227 ( -3.325 -2.889 1.872) 4.786 4.407 ( 3.683 -0.792 -5.032) 6.286 4.476 ( -1.778 1.935 3.361) 4.267 4.576 ( 1.163 -5.183 -2.439) 5.844 4.736 ( -1.473 1.621 -5.387) 5.815 4.947 ( 3.314 -0.837 5.235) 6.252 5.097 ( 0.751 1.882 -2.853) 3.499 5.287 ( 3.179 5.305 9.732) 11.531 5.749 ( 2.502 -4.591 6.306) 8.191 5.883 ( 6.176 -1.862 -1.024) 6.531 5.938 ( 5.114 -0.314 -5.361) 7.415 6.467 ( 9.919 0.074 12.845) 16.229 6.769 ( 9.298 -1.213 2.002) 9.588 6.937 ( 5.164 -1.867 -7.590) 9.368 7.042 ( 3.818 3.285 -7.762) 9.253 7.935 ( -2.109 -0.048 4.194) 4.695 8.112 ( 0.565 -2.634 -1.653) 3.160 8.323 ( 1.791 0.049 1.003) 2.053 8.358 ( 1.635 3.148 -0.463) 3.577 8.549 ( 0.422 -0.812 4.116) 4.217 8.886 ( 2.464 -0.581 -16.852) 17.041 9.708 ( -22.501 1.204 14.824) 26.972 10.185 ( -23.143 0.991 -9.618) 25.082 11.103 ( 8.510 -8.897 6.664) 14.000 11.349 ( 11.278 -3.096 -6.221) 13.246 11.832 ( -1.788 1.893 13.903) 14.145 12.121 ( 2.515 3.337 -0.877) 4.270 20.950 ( 1.772 -0.822 4.532) 4.935 21.069 ( 1.248 -1.314 1.503) 2.354 21.136 ( -0.683 0.139 3.710) 3.775 21.340 ( 1.419 0.954 1.003) 1.983 21.431 ( -0.904 0.796 3.016) 3.248 21.537 ( 4.252 -0.948 -6.580) 7.891 21.649 ( 3.395 4.275 -10.569) 11.895 21.865 ( -0.260 -0.533 -10.764) 10.781 23.845 ( 0.896 -0.059 7.956) 8.006 24.121 ( 4.124 -0.797 -5.650) 7.040 24.289 ( -3.979 0.551 2.342) 4.650 24.409 ( -0.635 0.568 -3.720) 3.817 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 5.091 -1.833 10.505) 11.816 2.821 ( 1.962 -1.009 3.801) 4.395 2.904 ( -1.363 1.328 1.098) 2.196 3.073 ( 4.757 3.332 17.486) 18.425 3.156 ( -4.294 0.359 -5.656) 7.110 3.516 ( 0.114 -0.892 13.262) 13.292 3.796 ( 5.835 2.266 -7.141) 9.496 3.940 ( 3.732 -1.647 -4.031) 5.735 4.028 ( 4.656 -2.626 13.555) 14.571 4.173 ( -2.198 -2.358 5.439) 6.322 4.391 ( -3.353 -0.657 1.671) 3.804 4.434 ( -2.457 -3.204 1.529) 4.318 4.627 ( 2.151 0.382 -5.570) 5.983 4.754 ( 2.722 2.577 -6.701) 7.678 4.955 ( -2.730 -0.994 -4.625) 5.462 5.065 ( -2.134 2.539 -9.571) 10.130 5.430 ( 9.688 5.480 21.250) 23.989 5.775 ( -0.259 0.270 9.910) 9.917 6.009 ( 6.524 -1.240 -4.128) 7.819 6.059 ( 6.800 0.288 -6.483) 9.400 6.698 ( 12.317 -0.414 6.175) 13.784 6.925 ( 5.897 -1.735 0.787) 6.197 7.052 ( 7.080 -0.684 -8.508) 11.090 7.135 ( 5.245 3.029 -8.207) 10.200 7.917 ( 1.927 -0.121 5.659) 5.979 8.164 ( 4.528 -2.968 -1.768) 5.696 8.355 ( 0.867 -1.409 2.373) 2.893 8.385 ( 0.983 2.491 -0.398) 2.707 8.564 ( 1.046 -0.893 5.923) 6.081 8.932 ( 2.744 -0.728 -16.135) 16.383 9.236 ( -25.294 1.297 13.473) 28.688 9.716 ( -24.372 0.993 -11.135) 26.813 11.286 ( 10.058 -6.522 9.750) 15.452 11.584 ( 12.565 -2.204 -5.273) 13.803 11.772 ( -4.558 0.466 14.527) 15.232 12.117 ( -2.950 2.187 -2.828) 4.635 20.988 ( 2.089 -0.475 6.077) 6.444 21.086 ( -0.041 -0.351 8.152) 8.159 21.144 ( 1.908 0.159 -0.861) 2.099 21.346 ( -1.709 -0.266 2.354) 2.921 21.414 ( 0.669 2.278 4.645) 5.217 21.564 ( -1.837 0.343 -6.217) 6.492 21.740 ( 6.124 1.294 -13.365) 14.758 21.889 ( 1.833 -0.310 -12.389) 12.528 23.882 ( 3.096 -0.120 8.807) 9.336 24.191 ( -3.731 -0.096 2.745) 4.633 24.210 ( 2.652 -0.206 -5.711) 6.300 24.390 ( -1.420 0.170 -5.225) 5.417 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 5.793 -0.518 8.210) 10.061 2.759 ( -6.387 0.653 6.894) 9.420 2.922 ( 3.468 -1.281 -5.539) 6.659 3.031 ( -5.229 1.035 -5.385) 7.577 3.272 ( 10.511 -0.021 19.350) 22.020 3.452 ( -6.713 -1.563 17.725) 19.018 3.903 ( 4.245 -1.373 -5.228) 6.873 3.988 ( 1.232 -3.422 -1.550) 3.954 4.095 ( 1.558 -3.237 12.002) 12.528 4.138 ( -1.464 -0.983 8.105) 8.295 4.341 ( -0.133 -3.974 1.061) 4.115 4.388 ( -2.609 -2.117 -0.849) 3.465 4.660 ( 1.513 1.118 -4.218) 4.618 4.770 ( -1.689 2.251 -5.034) 5.767 4.912 ( -0.075 1.258 -10.228) 10.305 5.033 ( -1.255 3.706 -8.798) 9.629 5.598 ( 6.630 4.495 17.941) 19.648 5.739 ( -3.031 4.393 13.115) 14.160 6.108 ( 2.988 -1.229 -5.932) 6.754 6.162 ( 3.037 1.140 -8.627) 9.217 6.888 ( 6.704 -0.602 3.863) 7.761 6.979 ( -0.302 -0.869 1.511) 1.769 7.175 ( 4.499 0.263 -9.954) 10.926 7.217 ( 2.006 2.185 -11.436) 11.814 8.063 ( 13.139 -0.848 8.532) 15.689 8.266 ( 3.787 -3.099 0.993) 4.993 8.312 ( -5.908 -1.791 4.324) 7.537 8.384 ( -1.596 -0.482 0.381) 1.710 8.601 ( 3.564 0.239 7.196) 8.033 8.794 ( -17.140 1.469 10.878) 20.354 9.029 ( 8.126 -0.169 -15.592) 17.584 9.288 ( -18.610 0.655 -13.908) 23.242 11.477 ( 9.388 -4.018 12.567) 16.193 11.651 ( -7.285 -1.446 14.110) 15.945 11.822 ( 11.159 -0.769 -4.768) 12.159 12.011 ( -7.846 0.765 -3.971) 8.827 21.026 ( 1.594 -0.392 7.667) 7.841 21.071 ( -1.076 0.110 8.551) 8.620 21.201 ( 3.431 0.295 -0.769) 3.528 21.287 ( -3.602 0.664 0.684) 3.726 21.449 ( 2.160 0.912 3.107) 3.893 21.513 ( -2.619 0.877 -0.484) 2.804 21.849 ( 4.542 0.250 -14.784) 15.468 21.903 ( -0.874 -0.045 -14.418) 14.444 23.965 ( 5.296 -0.149 8.615) 10.114 24.079 ( -6.200 -0.075 7.055) 9.392 24.289 ( 3.792 -0.278 -7.951) 8.814 24.352 ( -2.581 -0.076 -6.903) 7.370 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 10.348 14.109) 17.497 2.688 ( 0.000 9.831 19.444) 21.788 2.993 ( 0.000 9.682 -2.339) 9.961 3.074 ( 0.000 -5.732 14.063) 15.187 3.239 ( 0.000 -1.183 11.951) 12.009 3.305 ( 0.000 -2.967 2.580) 3.932 3.745 ( 0.000 10.665 -14.691) 18.154 3.780 ( 0.000 3.412 -0.243) 3.421 3.979 ( 0.000 -5.364 -11.892) 13.046 3.982 ( 0.000 2.452 -3.913) 4.618 4.312 ( 0.000 -4.350 -4.872) 6.531 4.385 ( 0.000 -8.566 -8.989) 12.417 4.587 ( 0.000 -1.261 2.220) 2.553 4.792 ( 0.000 -0.620 3.313) 3.370 4.954 ( 0.000 -1.157 13.329) 13.379 5.025 ( 0.000 9.610 5.329) 10.989 5.410 ( 0.000 4.414 1.679) 4.723 5.549 ( 0.000 -7.275 2.070) 7.564 5.689 ( 0.000 -2.482 -2.052) 3.221 5.771 ( 0.000 -3.057 -4.861) 5.742 6.311 ( 0.000 -0.740 23.677) 23.689 6.512 ( 0.000 -0.680 4.662) 4.711 6.756 ( 0.000 -1.745 -6.864) 7.082 7.052 ( 0.000 2.431 -6.667) 7.097 7.930 ( 0.000 -0.280 8.119) 8.124 8.124 ( 0.000 -2.297 -3.287) 4.010 8.326 ( 0.000 0.422 1.688) 1.740 8.384 ( 0.000 4.773 -1.012) 4.879 8.557 ( 0.000 -1.956 -2.519) 3.189 8.782 ( 0.000 -0.035 -15.282) 15.282 10.232 ( 0.000 1.153 17.299) 17.337 10.620 ( 0.000 -6.164 5.543) 8.290 10.803 ( 0.000 -2.958 -6.131) 6.808 11.035 ( 0.000 -2.872 -10.778) 11.155 11.950 ( 0.000 1.977 8.981) 9.196 12.025 ( 0.000 3.754 4.901) 6.174 20.890 ( 0.000 -1.045 3.957) 4.093 21.006 ( 0.000 -1.380 -1.949) 2.389 21.178 ( 0.000 -2.307 -4.373) 4.944 21.229 ( 0.000 0.366 -5.222) 5.235 21.413 ( 0.000 3.380 3.275) 4.706 21.513 ( 0.000 -0.947 6.989) 7.053 21.649 ( 0.000 4.354 -6.723) 8.009 21.911 ( 0.000 -0.282 -13.611) 13.614 23.846 ( 0.000 0.086 6.207) 6.208 24.000 ( 0.000 -1.145 0.108) 1.150 24.380 ( 0.000 0.637 0.697) 0.944 24.454 ( 0.000 1.436 -3.616) 3.891 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -1.700 8.048 14.208) 16.417 2.748 ( 3.686 6.333 12.632) 14.603 2.975 ( -0.758 8.498 2.419) 8.868 3.094 ( 1.032 -2.379 10.883) 11.188 3.238 ( -0.164 -1.884 6.110) 6.396 3.353 ( 5.116 -2.188 9.482) 10.994 3.750 ( 0.957 4.720 -5.555) 7.352 3.818 ( 2.422 5.896 -7.225) 9.635 3.914 ( -0.932 -0.306 -2.990) 3.147 4.133 ( 7.513 -1.351 -8.749) 11.612 4.299 ( 1.112 -3.424 -5.964) 6.966 4.406 ( 1.471 -7.316 -6.184) 9.692 4.553 ( -3.011 -1.145 0.920) 3.350 4.790 ( -0.643 -0.236 -2.723) 2.808 4.924 ( -0.479 1.933 14.376) 14.513 5.089 ( 4.208 5.539 2.671) 7.451 5.417 ( 0.098 6.224 2.239) 6.615 5.567 ( 2.183 -6.183 4.555) 7.984 5.694 ( 2.858 -5.438 2.533) 6.645 5.829 ( 4.400 -1.733 -6.071) 7.695 6.339 ( 3.347 -0.713 21.982) 22.247 6.583 ( 6.739 -0.876 3.354) 7.578 6.800 ( 4.340 -1.663 -6.796) 8.233 7.063 ( 1.182 2.582 -6.642) 7.224 7.940 ( 0.699 -0.235 6.072) 6.117 8.095 ( -2.531 -2.033 -3.438) 4.728 8.321 ( -0.163 0.863 1.749) 1.957 8.399 ( 1.213 3.794 -0.659) 4.038 8.538 ( -1.243 -1.645 -0.616) 2.152 8.821 ( 3.000 -0.395 -16.528) 16.802 10.094 ( -13.650 1.256 16.638) 21.557 10.576 ( -11.518 0.910 -5.920) 12.982 10.753 ( 2.579 -9.578 6.320) 11.762 11.103 ( 6.854 -2.776 -10.032) 12.463 11.911 ( -2.027 2.061 12.001) 12.344 12.111 ( 5.598 3.148 1.456) 6.585 20.898 ( 1.004 -1.095 4.926) 5.146 21.023 ( 1.595 -0.682 -2.036) 2.675 21.138 ( -1.810 -1.514 -0.266) 2.374 21.305 ( 4.831 -0.124 -6.554) 8.143 21.423 ( 1.203 2.720 1.833) 3.494 21.506 ( -0.508 -0.624 6.154) 6.207 21.680 ( 2.904 4.079 -7.845) 9.307 21.886 ( -2.309 -0.487 -12.748) 12.965 23.841 ( -0.294 0.022 6.809) 6.815 24.031 ( 2.946 -0.972 -1.473) 3.434 24.362 ( -2.031 0.619 0.949) 2.326 24.443 ( -0.944 1.142 -3.498) 3.799 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.640 3.133 12.719) 13.115 2.784 ( 0.717 1.538 1.332) 2.157 2.975 ( -0.299 4.054 7.289) 8.346 3.102 ( 0.850 3.075 12.380) 12.785 3.225 ( -1.594 -1.058 -0.119) 1.917 3.466 ( 4.630 -0.449 11.614) 12.511 3.784 ( 2.207 -1.469 5.071) 5.722 3.840 ( 0.573 3.446 -8.385) 9.084 3.935 ( 2.278 -0.852 2.626) 3.579 4.172 ( -0.945 -0.696 -4.567) 4.716 4.354 ( -0.532 -3.498 -3.448) 4.940 4.437 ( -1.272 -3.830 -6.283) 7.468 4.553 ( 7.474 0.756 -3.024) 8.098 4.776 ( 0.136 2.574 -5.237) 5.837 4.946 ( 1.642 0.037 4.432) 4.726 5.134 ( -0.676 2.129 -5.108) 5.575 5.437 ( 4.115 8.439 11.276) 14.673 5.657 ( 6.633 -3.635 11.597) 13.846 5.810 ( 8.419 -5.157 3.320) 10.416 5.924 ( 5.504 -0.764 -6.350) 8.438 6.460 ( 9.474 -0.728 16.333) 18.896 6.740 ( 8.640 -1.484 1.485) 8.891 6.910 ( 6.672 -0.706 -7.283) 9.902 7.104 ( 3.293 2.381 -6.668) 7.809 7.933 ( -1.751 -0.059 2.522) 3.071 8.065 ( 0.487 -1.708 -2.703) 3.234 8.324 ( 0.333 0.174 2.358) 2.387 8.422 ( 1.034 2.891 -0.997) 3.228 8.525 ( 0.029 -1.610 2.205) 2.730 8.872 ( 2.213 -0.669 -17.620) 17.771 9.737 ( -22.465 1.312 15.261) 27.190 10.210 ( -23.180 1.309 -8.991) 24.897 10.906 ( 10.973 -8.543 10.964) 17.709 11.288 ( 11.884 -2.413 -8.452) 14.781 11.867 ( -3.057 1.318 14.535) 14.912 12.186 ( 1.510 2.516 -1.835) 3.461 20.930 ( 2.235 -0.871 6.368) 6.805 21.060 ( 2.047 0.335 -0.351) 2.103 21.119 ( -0.211 -1.352 2.838) 3.151 21.361 ( 0.749 0.829 -0.426) 1.195 21.453 ( 0.602 1.201 3.675) 3.913 21.527 ( 3.580 -0.264 -4.988) 6.145 21.737 ( 1.958 3.966 -10.497) 11.390 21.847 ( -0.471 -1.324 -10.736) 10.828 23.844 ( 0.819 -0.054 7.936) 7.979 24.105 ( 4.498 -0.665 -4.594) 6.464 24.300 ( -4.334 0.445 2.231) 4.894 24.422 ( -1.225 0.584 -3.941) 4.169 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 4.274 -0.220 10.548) 11.383 2.808 ( 2.055 0.274 -1.950) 2.846 2.920 ( -5.032 -0.166 4.305) 6.624 3.148 ( -1.097 1.419 2.379) 2.980 3.182 ( 1.702 4.137 10.838) 11.725 3.496 ( -1.364 -1.045 12.729) 12.844 3.817 ( 1.569 -3.994 9.325) 10.265 3.860 ( 1.172 -0.493 -5.881) 6.017 3.982 ( 2.169 -3.470 6.843) 7.973 4.162 ( 0.305 1.180 -4.069) 4.248 4.290 ( -4.589 -3.653 2.183) 6.259 4.386 ( -2.973 -4.129 -6.350) 8.136 4.688 ( 3.956 3.939 -3.462) 6.569 4.823 ( 4.157 4.312 -7.160) 9.335 4.948 ( -1.601 -0.058 -4.644) 4.913 5.089 ( -2.248 -0.276 -8.533) 8.829 5.578 ( 8.569 7.883 16.722) 20.377 5.775 ( 4.523 -0.352 13.919) 14.640 5.982 ( 8.111 -1.621 1.432) 8.394 6.048 ( 7.330 -1.043 -5.209) 9.052 6.688 ( 12.594 -0.480 9.147) 15.573 6.885 ( 5.799 -1.894 0.936) 6.172 7.054 ( 8.096 0.785 -8.856) 12.025 7.191 ( 5.380 2.030 -8.259) 10.064 7.910 ( 1.098 -0.453 4.255) 4.418 8.114 ( 4.181 -1.725 -2.277) 5.064 8.323 ( -0.865 -1.361 3.454) 3.811 8.429 ( -0.798 1.636 -1.843) 2.590 8.540 ( 1.680 -1.315 4.115) 4.635 8.917 ( 3.016 -0.580 -17.285) 17.556 9.264 ( -25.367 1.164 13.706) 28.857 9.738 ( -24.630 1.001 -10.664) 26.858 11.143 ( 13.051 -6.090 13.045) 19.432 11.542 ( 13.823 -1.662 -6.908) 15.542 11.777 ( -6.415 0.086 15.564) 16.834 12.159 ( -4.325 1.595 -3.749) 5.942 20.978 ( 2.522 -0.420 7.323) 7.757 21.083 ( -0.103 0.108 7.264) 7.265 21.141 ( 2.800 -0.350 -1.364) 3.134 21.349 ( -1.769 0.321 1.382) 2.268 21.458 ( 0.500 1.746 5.599) 5.887 21.570 ( -0.818 0.184 -7.779) 7.824 21.772 ( 3.539 1.541 -12.142) 12.740 21.880 ( 2.419 -0.481 -12.368) 12.611 23.880 ( 3.034 -0.114 8.791) 9.301 24.190 ( 0.177 0.033 -1.720) 1.729 24.205 ( -1.359 -0.317 -0.774) 1.596 24.394 ( -1.799 0.165 -5.307) 5.607 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 7.204 -0.613 8.346) 11.042 2.768 ( -7.302 0.211 6.667) 9.890 2.903 ( 4.516 -0.304 -4.673) 6.506 3.042 ( -6.266 -0.056 -6.327) 8.905 3.296 ( 6.777 2.471 17.886) 19.286 3.427 ( -5.292 -0.587 16.627) 17.459 3.853 ( 1.672 -7.079 8.106) 10.891 3.876 ( 0.307 -3.728 -2.136) 4.308 4.006 ( 0.445 -1.667 6.430) 6.658 4.168 ( -0.813 1.367 0.239) 1.608 4.233 ( -0.023 -4.359 -1.423) 4.585 4.328 ( -2.538 -3.636 -4.296) 6.174 4.738 ( 1.839 5.220 -2.183) 5.950 4.843 ( -2.073 4.254 -3.876) 6.117 4.943 ( 1.376 1.308 -11.151) 11.311 5.066 ( -0.519 -0.690 -9.374) 9.414 5.711 ( 4.283 5.651 15.859) 17.373 5.820 ( 0.447 2.378 13.826) 14.036 6.094 ( 3.207 0.393 -0.812) 3.331 6.168 ( 3.697 -0.805 -4.252) 5.692 6.878 ( 5.973 -0.141 5.334) 8.010 6.953 ( 1.171 -1.523 2.008) 2.779 7.197 ( 5.788 1.706 -10.995) 12.542 7.267 ( 0.926 2.143 -12.112) 12.335 8.039 ( 12.436 -1.304 8.184) 14.945 8.214 ( 5.185 -1.589 0.302) 5.432 8.266 ( -6.029 -2.235 4.924) 8.099 8.365 ( -5.906 -1.105 -0.594) 6.038 8.604 ( 5.508 0.013 5.591) 7.849 8.821 ( -17.634 0.864 10.346) 20.464 9.026 ( 9.070 -0.094 -16.236) 18.597 9.303 ( -19.276 0.599 -13.745) 23.683 11.393 ( 12.307 -3.511 14.803) 19.568 11.616 ( -9.772 -1.576 15.586) 18.463 11.805 ( 12.727 -0.714 -5.879) 14.038 12.024 ( -9.409 0.454 -4.905) 10.620 21.022 ( 1.838 0.012 8.285) 8.486 21.067 ( -1.207 -0.390 8.754) 8.846 21.212 ( 3.954 0.619 -1.501) 4.275 21.297 ( -3.338 0.315 -0.278) 3.364 21.475 ( 1.147 1.446 3.357) 3.831 21.527 ( -2.238 0.395 -1.197) 2.569 21.856 ( 3.962 0.311 -14.297) 14.839 21.902 ( -0.576 -0.049 -14.263) 14.275 23.961 ( 5.306 -0.141 8.577) 10.087 24.077 ( -6.377 -0.067 6.982) 9.456 24.283 ( 3.992 -0.260 -7.733) 8.707 24.350 ( -2.823 -0.105 -6.891) 7.447 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 0.000 -0.000 9.196) 9.196 2.796 ( 0.000 0.000 13.112) 13.112 2.968 ( 0.000 0.000 22.938) 22.938 3.146 ( 0.000 0.000 5.144) 5.144 3.235 ( 0.000 0.000 8.844) 8.844 3.241 ( 0.000 0.000 4.124) 4.124 3.818 ( 0.000 0.000 -2.387) 2.387 3.907 ( 0.000 0.000 -13.832) 13.832 3.910 ( 0.000 0.000 -14.232) 14.232 4.001 ( 0.000 -0.000 -5.606) 5.606 4.260 ( 0.000 0.000 -6.161) 6.161 4.261 ( 0.000 0.000 -13.986) 13.986 4.569 ( 0.000 -0.000 7.111) 7.111 4.789 ( 0.000 -0.000 1.083) 1.083 4.946 ( 0.000 0.000 12.813) 12.813 5.153 ( 0.000 -0.000 -0.316) 0.316 5.450 ( 0.000 0.000 8.205) 8.205 5.453 ( 0.000 0.000 7.430) 7.430 5.667 ( 0.000 0.000 -6.091) 6.091 5.733 ( 0.000 -0.000 -5.872) 5.872 6.298 ( 0.000 0.000 26.169) 26.169 6.505 ( 0.000 0.000 4.921) 4.921 6.736 ( 0.000 0.000 -6.813) 6.813 7.079 ( 0.000 -0.000 -6.051) 6.051 7.929 ( 0.000 0.000 7.172) 7.172 8.099 ( 0.000 -0.000 -3.546) 3.546 8.330 ( 0.000 0.000 2.113) 2.113 8.475 ( 0.000 0.000 -3.657) 3.657 8.497 ( 0.000 -0.000 -0.279) 0.279 8.781 ( 0.000 0.000 -15.453) 15.453 10.245 ( 0.000 0.000 17.719) 17.719 10.544 ( 0.000 0.000 11.189) 11.189 10.780 ( 0.000 0.000 -9.305) 9.305 11.003 ( 0.000 0.000 -12.503) 12.503 11.972 ( 0.000 0.000 9.422) 9.422 12.064 ( 0.000 0.000 4.521) 4.521 20.878 ( 0.000 0.000 4.878) 4.878 20.992 ( 0.000 0.000 -1.973) 1.973 21.154 ( 0.000 0.000 -4.587) 4.587 21.232 ( 0.000 0.000 -6.369) 6.369 21.465 ( 0.000 0.000 5.401) 5.401 21.489 ( 0.000 0.000 6.044) 6.044 21.696 ( 0.000 0.000 -6.380) 6.380 21.907 ( 0.000 0.000 -14.146) 14.146 23.847 ( 0.000 0.000 6.127) 6.127 23.988 ( 0.000 0.000 0.829) 0.829 24.388 ( 0.000 0.000 0.841) 0.841 24.470 ( 0.000 0.000 -3.965) 3.965 ======================= Grid point 281 (97/120) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -4.936 -0.000 10.889) 11.956 2.814 ( 0.508 0.000 6.814) 6.833 3.003 ( 1.655 0.000 15.404) 15.492 3.144 ( 0.393 0.000 9.384) 9.393 3.219 ( -0.625 0.000 3.786) 3.837 3.314 ( 6.975 -0.000 12.823) 14.597 3.787 ( -2.324 0.000 -2.016) 3.077 3.873 ( -0.881 0.000 -4.198) 4.289 3.921 ( 0.704 -0.000 -12.110) 12.130 4.189 ( 14.394 -0.000 -10.983) 18.106 4.206 ( -2.151 0.000 -9.005) 9.258 4.314 ( 1.991 0.000 -10.628) 10.813 4.534 ( -2.979 -0.000 6.356) 7.019 4.790 ( 0.327 -0.000 -2.467) 2.489 4.941 ( -0.226 0.000 10.692) 10.695 5.175 ( 1.417 -0.000 -2.665) 3.018 5.463 ( 4.008 0.000 12.351) 12.986 5.545 ( 6.954 0.000 6.531) 9.540 5.594 ( -3.774 -0.000 -0.443) 3.800 5.809 ( 5.046 0.000 -7.047) 8.667 6.328 ( 3.428 -0.000 24.581) 24.818 6.573 ( 6.419 -0.000 3.290) 7.213 6.782 ( 4.623 0.000 -6.753) 8.184 7.091 ( 1.237 -0.000 -6.039) 6.164 7.939 ( 0.750 0.000 5.225) 5.279 8.072 ( -2.299 0.000 -3.795) 4.437 8.330 ( -0.009 0.000 2.366) 2.366 8.476 ( 0.072 0.000 -3.599) 3.600 8.484 ( -0.687 -0.000 1.425) 1.582 8.815 ( 2.750 0.000 -16.725) 16.950 10.109 ( -13.563 0.000 16.969) 21.724 10.615 ( 7.216 -0.000 11.768) 13.805 10.618 ( -15.671 0.000 -8.881) 18.013 11.072 ( 6.997 0.000 -11.590) 13.538 11.933 ( -2.287 0.000 12.315) 12.526 12.145 ( 5.306 0.000 1.211) 5.442 20.886 ( 1.014 0.000 5.731) 5.820 21.017 ( 2.327 0.000 -2.379) 3.328 21.121 ( -1.806 0.000 -0.702) 1.938 21.303 ( 5.092 0.000 -7.957) 9.446 21.465 ( 0.069 0.000 5.676) 5.677 21.488 ( 0.175 0.000 4.137) 4.140 21.725 ( 2.896 0.000 -7.293) 7.847 21.879 ( -2.720 0.000 -13.389) 13.662 23.841 ( -0.346 0.000 6.774) 6.783 24.020 ( 3.108 0.000 -0.845) 3.220 24.369 ( -2.075 0.000 1.041) 2.321 24.456 ( -1.240 0.000 -3.767) 3.966 ======================= Grid point 283 (98/120) ======================= q-point: ( 0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -2.411 0.000 11.256) 11.512 2.806 ( -0.571 0.000 -1.186) 1.316 2.992 ( -2.556 0.000 8.089) 8.483 3.178 ( 3.039 -0.000 15.807) 16.097 3.204 ( -1.258 0.000 -0.016) 1.258 3.457 ( 5.303 -0.000 13.494) 14.498 3.751 ( -1.361 0.000 4.432) 4.636 3.876 ( 1.605 0.000 2.072) 2.621 3.918 ( -1.340 -0.000 -6.180) 6.324 4.181 ( -0.614 -0.000 -9.290) 9.310 4.327 ( -0.743 -0.000 -8.088) 8.123 4.378 ( -1.014 0.000 -2.917) 3.088 4.559 ( 10.188 0.000 -3.981) 10.938 4.814 ( 2.427 -0.000 -7.419) 7.806 4.942 ( 0.256 0.000 4.643) 4.651 5.161 ( -3.383 0.000 -7.286) 8.033 5.585 ( 3.318 -0.000 7.645) 8.334 5.598 ( 9.085 0.000 16.932) 19.215 5.719 ( 11.054 0.000 6.658) 12.904 5.915 ( 5.974 0.000 -6.325) 8.701 6.449 ( 9.572 -0.000 18.979) 21.257 6.721 ( 8.147 -0.000 0.974) 8.205 6.904 ( 7.737 0.000 -7.121) 10.515 7.130 ( 2.912 -0.000 -6.198) 6.848 7.933 ( -1.827 0.000 1.615) 2.439 8.047 ( 0.651 0.000 -3.165) 3.231 8.327 ( -0.398 0.000 3.032) 3.058 8.474 ( -0.455 -0.000 -3.388) 3.418 8.486 ( 0.963 0.000 3.348) 3.484 8.864 ( 2.171 0.000 -18.064) 18.194 9.752 ( -22.521 0.000 15.446) 27.309 10.227 ( -23.568 0.000 -8.860) 25.178 10.809 ( 12.439 0.000 13.140) 18.094 11.262 ( 12.206 0.000 -9.637) 15.552 11.881 ( -3.613 0.000 14.898) 15.330 12.213 ( 1.076 0.000 -2.116) 2.374 20.921 ( 2.464 0.000 6.969) 7.392 21.070 ( 3.045 0.000 -2.651) 4.037 21.098 ( -0.676 0.000 4.294) 4.347 21.369 ( 0.839 -0.000 -1.896) 2.073 21.469 ( 0.291 0.000 6.208) 6.215 21.523 ( 3.767 -0.000 -5.872) 6.976 21.798 ( 4.313 0.000 -9.683) 10.600 21.814 ( -3.434 -0.000 -11.463) 11.966 23.843 ( 0.782 0.000 7.932) 7.970 24.098 ( 4.672 0.000 -4.156) 6.254 24.305 ( -4.507 0.000 2.243) 5.034 24.429 ( -1.526 0.000 -4.057) 4.335 ======================= Grid point 285 (99/120) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 2.973 0.000 10.393) 10.810 2.820 ( 2.461 0.000 -4.676) 5.284 2.910 ( -5.904 0.000 6.439) 8.736 3.153 ( -4.375 -0.000 -3.827) 5.813 3.252 ( 4.382 0.000 17.759) 18.292 3.481 ( -1.912 0.000 11.324) 11.485 3.738 ( 0.156 0.000 9.681) 9.682 3.873 ( -3.015 -0.000 0.159) 3.019 3.941 ( 4.570 -0.000 4.124) 6.156 4.168 ( -1.284 -0.000 -7.585) 7.693 4.293 ( -2.317 -0.000 -4.629) 5.177 4.304 ( -3.911 0.000 0.023) 3.911 4.736 ( 5.672 0.000 -6.478) 8.610 4.892 ( 5.425 -0.000 -9.582) 11.011 4.938 ( -1.274 0.000 -2.116) 2.470 5.076 ( -4.073 0.000 -7.444) 8.486 5.688 ( 6.149 -0.000 10.602) 12.256 5.759 ( 6.314 0.000 17.380) 18.491 5.955 ( 12.161 0.000 5.784) 13.466 6.035 ( 6.177 0.000 -4.638) 7.724 6.682 ( 13.012 -0.000 11.230) 17.188 6.862 ( 5.889 -0.000 0.634) 5.923 7.067 ( 8.701 0.000 -8.732) 12.327 7.211 ( 5.475 0.000 -8.217) 9.874 7.905 ( 0.573 0.000 3.392) 3.440 8.096 ( 4.132 0.000 -2.858) 5.025 8.308 ( -1.806 0.000 3.947) 4.341 8.449 ( -2.527 -0.000 -2.827) 3.792 8.522 ( 2.743 0.000 3.846) 4.724 8.911 ( 3.273 0.000 -17.845) 18.143 9.277 ( -25.580 0.000 13.777) 29.055 9.750 ( -24.839 0.000 -10.502) 26.968 11.075 ( 14.575 0.000 14.651) 20.666 11.524 ( 14.384 0.000 -7.798) 16.362 11.778 ( -7.299 0.000 16.126) 17.701 12.176 ( -4.913 0.000 -4.078) 6.385 20.974 ( 2.789 0.000 7.746) 8.233 21.086 ( -0.835 0.000 7.883) 7.927 21.136 ( 3.867 0.000 -2.523) 4.617 21.353 ( -1.910 0.000 1.118) 2.213 21.477 ( 0.609 0.000 6.056) 6.087 21.571 ( -0.465 -0.000 -8.576) 8.588 21.790 ( 2.034 0.000 -11.583) 11.761 21.874 ( 3.032 0.000 -12.435) 12.800 23.879 ( 3.004 0.000 8.785) 9.285 24.192 ( 4.884 -0.000 -6.795) 8.368 24.200 ( -6.119 0.000 4.526) 7.611 24.396 ( -1.997 0.000 -5.349) 5.710 ======================= Grid point 287 (100/120) ======================= q-point: ( 0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 7.472 0.000 8.744) 11.502 2.769 ( -8.371 0.000 7.036) 10.935 2.905 ( 6.064 0.000 -5.713) 8.331 3.038 ( -7.097 0.000 -5.602) 9.042 3.340 ( 4.527 0.000 16.757) 17.358 3.421 ( -3.828 0.000 14.172) 14.680 3.759 ( 2.037 0.000 8.562) 8.801 3.811 ( -3.153 -0.000 5.053) 5.956 4.033 ( 4.789 0.000 2.135) 5.244 4.119 ( -3.779 0.000 -2.154) 4.349 4.255 ( -1.118 -0.000 -1.886) 2.192 4.256 ( -1.122 0.000 -3.583) 3.755 4.812 ( 3.352 0.000 -4.567) 5.665 4.883 ( -3.891 0.000 -4.353) 5.839 4.983 ( 3.408 -0.000 -10.322) 10.870 5.027 ( -1.619 0.000 -8.785) 8.933 5.790 ( 3.881 -0.000 12.538) 13.125 5.825 ( 0.569 0.000 15.123) 15.134 6.127 ( 4.599 0.000 2.066) 5.041 6.133 ( 3.241 0.000 -1.935) 3.775 6.881 ( 6.514 -0.000 5.975) 8.839 6.932 ( 0.909 -0.000 2.539) 2.697 7.221 ( 6.640 0.000 -11.294) 13.102 7.290 ( 0.571 0.000 -12.415) 12.428 8.023 ( 12.038 0.000 8.020) 14.465 8.201 ( 6.633 0.000 -0.870) 6.690 8.238 ( -6.610 0.000 5.469) 8.579 8.351 ( -7.958 0.000 -0.899) 8.009 8.604 ( 6.459 0.000 4.983) 8.157 8.829 ( -18.415 0.000 10.293) 21.097 9.025 ( 9.651 0.000 -16.595) 19.197 9.309 ( -19.607 0.000 -13.729) 23.935 11.354 ( 13.884 0.000 15.817) 21.046 11.598 ( -11.163 0.000 16.363) 19.808 11.797 ( 13.479 0.000 -6.421) 14.930 12.029 ( -10.104 0.000 -5.315) 11.417 21.023 ( 2.300 0.000 8.438) 8.746 21.062 ( -1.656 0.000 8.945) 9.097 21.219 ( 4.538 0.000 -2.031) 4.972 21.300 ( -3.587 0.000 -0.355) 3.604 21.494 ( 1.226 -0.000 3.732) 3.928 21.530 ( -2.515 0.000 -1.973) 3.197 21.859 ( 3.630 0.000 -14.045) 14.506 21.901 ( -0.399 0.000 -14.191) 14.197 23.960 ( 5.314 0.000 8.556) 10.072 24.076 ( -6.477 0.000 6.945) 9.496 24.280 ( 4.117 0.000 -7.641) 8.679 24.348 ( -2.964 0.000 -6.872) 7.484 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.000 0.000 -13.878) 13.878 2.524 ( 0.000 0.000 13.878) 13.878 2.822 ( 0.000 0.000 -19.815) 19.815 2.822 ( 0.000 0.000 19.815) 19.815 3.387 ( 0.000 0.000 -3.470) 3.470 3.387 ( 0.000 0.000 3.470) 3.470 3.703 ( 0.000 0.000 -6.915) 6.915 3.703 ( 0.000 0.000 6.915) 6.915 3.895 ( 0.000 0.000 -5.690) 5.690 3.895 ( 0.000 0.000 5.690) 5.690 4.462 ( 0.000 0.000 -5.616) 5.616 4.462 ( 0.000 0.000 5.616) 5.616 4.793 ( 0.000 0.000 -11.151) 11.151 4.793 ( 0.000 0.000 11.151) 11.151 4.902 ( 0.000 0.000 -12.287) 12.287 4.902 ( 0.000 0.000 12.287) 12.287 5.515 ( 0.000 0.000 -21.842) 21.842 5.515 ( 0.000 0.000 21.842) 21.842 5.831 ( 0.000 0.000 -0.126) 0.126 5.831 ( 0.000 0.000 0.126) 0.126 6.664 ( 0.000 0.000 -7.524) 7.524 6.664 ( 0.000 0.000 7.524) 7.524 6.689 ( 0.000 0.000 -19.116) 19.116 6.689 ( 0.000 0.000 19.116) 19.116 8.153 ( 0.000 0.000 -7.676) 7.676 8.153 ( 0.000 0.000 7.676) 7.676 8.266 ( 0.000 0.000 -0.529) 0.529 8.266 ( 0.000 0.000 0.529) 0.529 8.576 ( 0.000 0.000 -5.077) 5.077 8.576 ( 0.000 0.000 5.077) 5.077 10.488 ( 0.000 0.000 -14.028) 14.028 10.488 ( 0.000 0.000 14.028) 14.028 11.068 ( 0.000 0.000 -1.839) 1.839 11.068 ( 0.000 0.000 1.839) 1.839 11.942 ( 0.000 0.000 -0.665) 0.665 11.942 ( 0.000 0.000 0.665) 0.665 20.985 ( 0.000 0.000 -4.828) 4.828 20.985 ( 0.000 0.000 4.828) 4.828 21.285 ( 0.000 0.000 -5.860) 5.860 21.285 ( 0.000 0.000 5.860) 5.860 21.297 ( 0.000 0.000 -1.668) 1.668 21.297 ( 0.000 0.000 1.668) 1.668 21.698 ( 0.000 0.000 -10.176) 10.176 21.698 ( 0.000 0.000 10.176) 10.176 23.961 ( 0.000 0.000 -5.625) 5.625 23.961 ( 0.000 0.000 5.625) 5.625 24.371 ( 0.000 0.000 -1.104) 1.104 24.371 ( 0.000 0.000 1.104) 1.104 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 5.162 0.000 -12.535) 13.556 2.584 ( 5.162 0.000 12.535) 13.556 2.886 ( 6.214 0.000 -18.707) 19.712 2.886 ( 6.214 0.000 18.707) 19.712 3.361 ( -2.582 0.000 -4.841) 5.486 3.361 ( -2.582 0.000 4.841) 5.486 3.668 ( -1.010 0.000 -10.383) 10.432 3.668 ( -1.010 0.000 10.383) 10.432 4.028 ( 10.678 0.000 -11.790) 15.907 4.028 ( 10.678 0.000 11.790) 15.907 4.430 ( -3.028 0.000 -7.293) 7.897 4.430 ( -3.028 0.000 7.293) 7.897 4.780 ( -1.122 0.000 -12.031) 12.083 4.780 ( -1.122 0.000 12.031) 12.083 4.904 ( 0.026 0.000 -12.609) 12.609 4.904 ( 0.026 0.000 12.609) 12.609 5.547 ( 3.363 0.000 -21.582) 21.843 5.547 ( 3.363 0.000 21.582) 21.843 5.848 ( 1.572 0.000 -1.077) 1.906 5.848 ( 1.572 0.000 1.077) 1.906 6.697 ( 1.033 0.000 -18.211) 18.240 6.697 ( 1.033 0.000 18.211) 18.240 6.724 ( 5.837 0.000 -6.940) 9.068 6.724 ( 5.837 0.000 6.940) 9.068 8.112 ( -3.484 0.000 -6.296) 7.195 8.112 ( -3.484 0.000 6.296) 7.195 8.281 ( 1.477 0.000 -0.697) 1.634 8.281 ( 1.477 0.000 0.697) 1.634 8.611 ( 3.027 0.000 -6.306) 6.995 8.611 ( 3.027 0.000 6.306) 6.995 10.337 ( -14.854 0.000 -13.434) 20.028 10.337 ( -14.854 0.000 13.434) 20.028 11.129 ( 6.115 0.000 -2.912) 6.773 11.129 ( 6.115 0.000 2.912) 6.773 11.973 ( 2.551 0.000 -4.354) 5.046 11.973 ( 2.551 0.000 4.354) 5.046 20.998 ( 1.322 0.000 -4.661) 4.845 20.998 ( 1.322 0.000 4.661) 4.845 21.296 ( 0.912 0.000 -8.035) 8.087 21.296 ( 0.912 0.000 8.035) 8.087 21.323 ( 2.712 0.000 -3.416) 4.362 21.323 ( 2.712 0.000 3.416) 4.362 21.687 ( -0.969 0.000 -9.997) 10.043 21.687 ( -0.969 0.000 9.997) 10.043 23.969 ( 0.817 0.000 -6.252) 6.305 23.969 ( 0.817 0.000 6.252) 6.305 24.363 ( -0.857 0.000 -1.739) 1.938 24.363 ( -0.857 0.000 1.739) 1.938 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 3.819 0.000 -10.401) 11.080 2.678 ( 3.819 0.000 10.401) 11.080 3.023 ( 5.580 0.000 -13.288) 14.413 3.023 ( 5.580 0.000 13.288) 14.413 3.316 ( -0.016 0.000 -12.924) 12.924 3.316 ( -0.016 0.000 12.924) 12.924 3.696 ( 3.566 0.000 -10.639) 11.220 3.696 ( 3.566 0.000 10.639) 11.220 4.235 ( 9.593 0.000 -12.409) 15.684 4.235 ( 9.593 0.000 12.409) 15.684 4.366 ( -2.958 0.000 -8.845) 9.327 4.366 ( -2.958 0.000 8.845) 9.327 4.760 ( -0.855 0.000 -13.647) 13.674 4.760 ( -0.855 0.000 13.647) 13.674 4.889 ( -2.039 0.000 -12.686) 12.849 4.889 ( -2.039 0.000 12.686) 12.849 5.650 ( 7.196 0.000 -20.510) 21.736 5.650 ( 7.196 0.000 20.510) 21.736 5.881 ( 1.617 0.000 -3.002) 3.410 5.881 ( 1.617 0.000 3.002) 3.410 6.742 ( 4.067 0.000 -15.274) 15.806 6.742 ( 4.067 0.000 15.274) 15.806 6.862 ( 7.642 0.000 -5.411) 9.364 6.862 ( 7.642 0.000 5.411) 9.364 8.054 ( -1.669 0.000 -7.161) 7.353 8.054 ( -1.669 0.000 7.161) 7.353 8.322 ( 2.651 0.000 -1.021) 2.841 8.322 ( 2.651 0.000 1.021) 2.841 8.672 ( 2.937 0.000 -7.568) 8.118 8.672 ( 2.937 0.000 7.568) 8.118 9.957 ( -23.410 0.000 -12.706) 26.636 9.957 ( -23.410 0.000 12.706) 26.636 11.290 ( 10.100 0.000 -4.825) 11.193 11.290 ( 10.100 0.000 4.825) 11.193 12.010 ( 0.688 0.000 -7.240) 7.273 12.010 ( 0.688 0.000 7.240) 7.273 21.032 ( 2.171 0.000 -4.139) 4.674 21.032 ( 2.171 0.000 4.139) 4.674 21.306 ( -0.349 0.000 -10.095) 10.101 21.306 ( -0.349 0.000 10.095) 10.101 21.397 ( 4.762 0.000 -6.483) 8.044 21.397 ( 4.762 0.000 6.483) 8.044 21.669 ( -0.653 0.000 -10.079) 10.100 21.669 ( -0.653 0.000 10.079) 10.100 23.996 ( 2.130 0.000 -7.642) 7.933 23.996 ( 2.130 0.000 7.642) 7.933 24.336 ( -1.908 0.000 -3.217) 3.740 24.336 ( -1.908 0.000 3.217) 3.740 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 2.541 0.000 -9.055) 9.405 2.734 ( 2.541 0.000 9.055) 9.405 3.011 ( -5.369 0.000 -7.785) 9.456 3.011 ( -5.369 0.000 7.785) 9.456 3.440 ( 11.180 0.000 -20.700) 23.526 3.440 ( 11.180 0.000 20.700) 23.526 3.770 ( 3.037 0.000 -11.380) 11.779 3.770 ( 3.037 0.000 11.380) 11.779 4.332 ( -0.343 0.000 -8.035) 8.043 4.332 ( -0.343 0.000 8.035) 8.043 4.371 ( 4.180 0.000 -11.291) 12.040 4.371 ( 4.180 0.000 11.291) 12.040 4.744 ( -0.798 0.000 -14.339) 14.361 4.744 ( -0.798 0.000 14.339) 14.361 4.822 ( -4.463 0.000 -10.909) 11.787 4.822 ( -4.463 0.000 10.909) 11.787 5.796 ( 6.908 0.000 -18.715) 19.950 5.796 ( 6.908 0.000 18.715) 19.950 5.907 ( 1.056 0.000 -6.895) 6.976 5.907 ( 1.056 0.000 6.895) 6.976 6.859 ( 7.629 0.000 -10.993) 13.381 6.859 ( 7.629 0.000 10.993) 13.381 6.992 ( 5.181 0.000 -3.712) 6.373 6.992 ( 5.181 0.000 3.712) 6.373 8.078 ( 4.783 0.000 -9.353) 10.505 8.078 ( 4.783 0.000 9.353) 10.505 8.374 ( 2.365 0.000 -1.169) 2.639 8.374 ( 2.365 0.000 1.169) 2.639 8.720 ( 2.222 0.000 -8.606) 8.889 8.720 ( 2.222 0.000 8.606) 8.889 9.472 ( -25.732 0.000 -12.836) 28.756 9.472 ( -25.732 0.000 12.836) 28.756 11.501 ( 11.302 0.000 -6.699) 13.138 11.501 ( 11.302 0.000 6.699) 13.138 11.986 ( -3.346 0.000 -8.682) 9.304 11.986 ( -3.346 0.000 8.682) 9.304 21.081 ( 2.834 0.000 -3.840) 4.772 21.081 ( 2.834 0.000 3.840) 4.772 21.276 ( -2.674 0.000 -8.944) 9.335 21.276 ( -2.674 0.000 8.944) 9.335 21.497 ( 5.226 0.000 -9.500) 10.843 21.497 ( 5.226 0.000 9.500) 10.843 21.662 ( -0.345 0.000 -11.228) 11.234 21.662 ( -0.345 0.000 11.228) 11.234 24.052 ( 3.616 0.000 -8.732) 9.451 24.052 ( 3.616 0.000 8.732) 9.451 24.288 ( -3.136 0.000 -5.201) 6.073 24.288 ( -3.136 0.000 5.201) 6.073 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 3.947 0.000 -8.102) 9.012 2.794 ( 3.947 0.000 8.102) 9.012 2.892 ( -6.063 0.000 -7.368) 9.542 2.892 ( -6.063 0.000 7.368) 9.542 3.656 ( 9.743 0.000 -18.385) 20.807 3.656 ( 9.743 0.000 18.385) 20.807 3.780 ( -2.708 0.000 -14.213) 14.469 3.780 ( -2.708 0.000 14.213) 14.469 4.352 ( 2.189 0.000 -6.540) 6.897 4.352 ( 2.189 0.000 6.540) 6.897 4.395 ( -1.357 0.000 -8.420) 8.529 4.395 ( -1.357 0.000 8.420) 8.529 4.732 ( -0.310 0.000 -12.528) 12.532 4.732 ( -0.310 0.000 12.528) 12.532 4.748 ( -2.437 0.000 -9.051) 9.374 4.748 ( -2.437 0.000 9.051) 9.374 5.892 ( 2.891 0.000 -16.281) 16.535 5.892 ( 2.891 0.000 16.281) 16.535 5.918 ( -0.139 0.000 -11.942) 11.942 5.918 ( -0.139 0.000 11.942) 11.942 6.997 ( 5.477 0.000 -8.036) 9.724 6.997 ( 5.477 0.000 8.036) 9.724 7.047 ( 0.310 0.000 -4.784) 4.794 7.047 ( 0.310 0.000 4.784) 4.794 8.238 ( 10.496 0.000 -7.522) 12.913 8.238 ( 10.496 0.000 7.522) 12.913 8.382 ( -2.798 0.000 -2.266) 3.601 8.382 ( -2.798 0.000 2.266) 3.601 8.782 ( 5.615 0.000 -11.088) 12.429 8.782 ( 5.615 0.000 11.088) 12.429 9.017 ( -19.464 0.000 -13.515) 23.695 9.017 ( -19.464 0.000 13.515) 23.695 11.711 ( 10.157 0.000 -8.168) 13.034 11.711 ( 10.157 0.000 8.168) 13.034 11.882 ( -7.301 0.000 -8.917) 11.525 11.882 ( -7.301 0.000 8.917) 11.525 21.142 ( 3.466 0.000 -4.614) 5.771 21.142 ( 3.466 0.000 4.614) 5.771 21.212 ( -3.672 0.000 -6.518) 7.481 21.212 ( -3.672 0.000 6.518) 7.481 21.588 ( 3.950 0.000 -11.598) 12.252 21.588 ( 3.950 0.000 11.598) 12.252 21.644 ( -1.803 0.000 -12.186) 12.319 21.644 ( -1.803 0.000 12.186) 12.319 24.132 ( 4.439 0.000 -8.629) 9.703 24.132 ( 4.439 0.000 8.629) 9.703 24.216 ( -4.175 0.000 -7.244) 8.361 24.216 ( -4.175 0.000 7.244) 8.361 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 0.000 5.565 -12.399) 13.590 2.585 ( 0.000 5.565 12.399) 13.590 2.937 ( 0.000 10.224 -17.440) 20.216 2.937 ( 0.000 10.224 17.440) 20.216 3.376 ( 0.000 -0.975 -3.770) 3.894 3.376 ( 0.000 -0.975 3.770) 3.894 3.678 ( 0.000 -2.581 -11.347) 11.637 3.678 ( 0.000 -2.581 11.347) 11.637 3.898 ( 0.000 0.589 -1.769) 1.864 3.898 ( 0.000 0.589 1.769) 1.864 4.407 ( 0.000 -5.538 -4.782) 7.317 4.407 ( 0.000 -5.538 4.782) 7.317 4.724 ( 0.000 -2.693 -9.339) 9.720 4.724 ( 0.000 -2.693 9.339) 9.720 5.016 ( 0.000 6.597 -10.759) 12.621 5.016 ( 0.000 6.597 10.759) 12.621 5.493 ( 0.000 -1.505 -18.770) 18.831 5.493 ( 0.000 -1.505 18.770) 18.831 5.791 ( 0.000 -3.547 -0.949) 3.671 5.791 ( 0.000 -3.547 0.949) 3.671 6.637 ( 0.000 -1.547 -3.852) 4.151 6.637 ( 0.000 -1.547 3.852) 4.151 6.736 ( 0.000 3.187 -16.209) 16.520 6.736 ( 0.000 3.187 16.209) 16.520 8.106 ( 0.000 -3.220 -6.207) 6.992 8.106 ( 0.000 -3.220 6.207) 6.992 8.308 ( 0.000 2.859 -0.717) 2.948 8.308 ( 0.000 2.859 0.717) 2.948 8.579 ( 0.000 0.070 -4.954) 4.955 8.579 ( 0.000 0.070 4.954) 4.955 10.498 ( 0.000 0.943 -13.505) 13.538 10.498 ( 0.000 0.943 13.505) 13.538 10.992 ( 0.000 -6.534 -4.184) 7.759 10.992 ( 0.000 -6.534 4.184) 7.759 11.984 ( 0.000 3.484 -0.452) 3.513 11.984 ( 0.000 3.484 0.452) 3.513 20.974 ( 0.000 -0.881 -4.227) 4.317 20.974 ( 0.000 -0.881 4.227) 4.317 21.200 ( 0.000 -3.412 -1.007) 3.557 21.200 ( 0.000 -3.412 1.007) 3.557 21.410 ( 0.000 5.925 -5.720) 8.236 21.410 ( 0.000 5.925 5.720) 8.236 21.695 ( 0.000 -0.340 -10.195) 10.200 21.695 ( 0.000 -0.340 10.195) 10.200 23.958 ( 0.000 -0.266 -5.254) 5.261 23.958 ( 0.000 -0.266 5.254) 5.261 24.381 ( 0.000 0.943 -1.344) 1.642 24.381 ( 0.000 0.943 1.344) 1.642 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 2.158 2.909 -11.989) 12.524 2.609 ( 2.158 2.909 11.989) 12.524 2.999 ( 5.394 9.257 -15.456) 18.806 2.999 ( 5.394 9.257 15.456) 18.806 3.358 ( -1.405 0.117 -7.016) 7.156 3.358 ( -1.405 0.117 7.016) 7.156 3.667 ( 0.323 -0.308 -10.777) 10.786 3.667 ( 0.323 -0.308 10.777) 10.786 4.010 ( 9.466 -1.328 -10.354) 14.092 4.010 ( 9.466 -1.328 10.354) 14.092 4.391 ( -1.563 -4.388 -7.032) 8.435 4.391 ( -1.563 -4.388 7.032) 8.435 4.701 ( -1.824 -3.447 -9.476) 10.247 4.701 ( -1.824 -3.447 9.476) 10.247 5.008 ( -1.009 5.892 -9.884) 11.551 5.008 ( -1.009 5.892 9.884) 11.551 5.529 ( 3.861 -0.997 -18.358) 18.786 5.529 ( 3.861 -0.997 18.358) 18.786 5.817 ( 2.526 -2.862 -1.355) 4.051 5.817 ( 2.526 -2.862 1.355) 4.051 6.679 ( 3.487 -1.221 -6.503) 7.479 6.679 ( 3.487 -1.221 6.503) 7.479 6.761 ( 3.163 2.723 -11.901) 12.612 6.761 ( 3.163 2.723 11.901) 12.612 8.076 ( -2.614 -2.678 -5.124) 6.345 8.076 ( -2.614 -2.678 5.124) 6.345 8.314 ( 0.794 2.559 -1.221) 2.944 8.314 ( 0.794 2.559 1.221) 2.944 8.607 ( 2.517 -0.440 -6.394) 6.886 8.607 ( 2.517 -0.440 6.394) 6.886 10.350 ( -14.654 1.178 -13.209) 19.764 10.350 ( -14.654 1.178 13.209) 19.764 11.055 ( 6.409 -6.348 -4.981) 10.305 11.055 ( 6.409 -6.348 4.981) 10.305 12.012 ( 2.197 3.183 -4.583) 5.996 12.012 ( 2.197 3.183 4.583) 5.996 20.989 ( 1.472 -0.750 -4.002) 4.330 20.989 ( 1.472 -0.750 4.002) 4.330 21.222 ( 2.149 -3.220 -4.293) 5.781 21.222 ( 2.149 -3.220 4.293) 5.781 21.424 ( 1.345 5.629 -6.447) 8.664 21.424 ( 1.345 5.629 6.447) 8.664 21.684 ( -0.989 -0.364 -9.951) 10.007 21.684 ( -0.989 -0.364 9.951) 10.007 23.966 ( 0.846 -0.237 -5.951) 6.015 23.966 ( 0.846 -0.237 5.951) 6.015 24.372 ( -1.011 0.802 -1.841) 2.248 24.372 ( -1.011 0.802 1.841) 2.248 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 2.601 -0.815 -10.447) 10.797 2.657 ( 2.601 -0.815 10.447) 10.797 3.080 ( 1.090 3.655 -9.428) 10.170 3.080 ( 1.090 3.655 9.428) 10.170 3.355 ( 2.476 4.012 -16.381) 17.046 3.355 ( 2.476 4.012 16.381) 17.046 3.711 ( 3.822 1.187 -10.012) 10.782 3.711 ( 3.822 1.187 10.012) 10.782 4.188 ( 7.236 -3.268 -12.097) 14.470 4.188 ( 7.236 -3.268 12.097) 14.470 4.360 ( -0.972 -2.384 -8.916) 9.280 4.360 ( -0.972 -2.384 8.916) 9.280 4.677 ( -0.322 -3.864 -7.918) 8.817 4.677 ( -0.322 -3.864 7.918) 8.817 4.969 ( -3.090 4.354 -7.011) 8.812 4.969 ( -3.090 4.354 7.011) 8.812 5.646 ( 8.036 0.200 -17.289) 19.067 5.646 ( 8.036 0.200 17.289) 19.067 5.878 ( 3.438 -0.627 -2.228) 4.144 5.878 ( 3.438 -0.627 2.228) 4.144 6.749 ( 4.356 0.526 -13.154) 13.866 6.749 ( 4.356 0.526 13.154) 13.866 6.867 ( 6.949 0.546 -7.338) 10.121 6.867 ( 6.949 0.546 7.338) 10.121 8.032 ( -1.170 -1.817 -5.770) 6.161 8.032 ( -1.170 -1.817 5.770) 6.161 8.340 ( 1.870 1.611 -1.071) 2.691 8.340 ( 1.870 1.611 1.071) 2.691 8.658 ( 2.469 -1.280 -7.776) 8.259 8.658 ( 2.469 -1.280 7.776) 8.259 9.972 ( -23.333 1.365 -12.631) 26.567 9.972 ( -23.333 1.365 12.631) 26.567 11.226 ( 10.859 -5.432 -6.461) 13.754 11.226 ( 10.859 -5.432 6.461) 13.754 12.040 ( 0.085 2.402 -7.659) 8.027 12.040 ( 0.085 2.402 7.659) 8.027 21.027 ( 2.389 -0.425 -3.609) 4.349 21.027 ( 2.389 -0.425 3.609) 4.349 21.266 ( 1.741 -2.344 -8.002) 8.518 21.266 ( 1.741 -2.344 8.002) 8.518 21.459 ( 2.387 4.407 -7.114) 8.702 21.459 ( 2.387 4.407 7.114) 8.702 21.666 ( -0.603 -0.356 -9.873) 9.898 21.666 ( -0.603 -0.356 9.873) 9.898 23.994 ( 2.150 -0.191 -7.462) 7.768 23.994 ( 2.150 -0.191 7.462) 7.768 24.342 ( -2.123 0.471 -3.221) 3.886 24.342 ( -2.123 0.471 3.221) 3.886 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 3.067 -1.751 -8.853) 9.531 2.709 ( 3.067 -1.751 8.853) 9.531 3.024 ( -5.733 0.891 -7.193) 9.241 3.024 ( -5.733 0.891 7.193) 9.241 3.474 ( 8.857 2.980 -20.033) 22.106 3.474 ( 8.857 2.980 20.033) 22.106 3.781 ( 2.448 0.680 -11.253) 11.536 3.781 ( 2.448 0.680 11.253) 11.536 4.256 ( 0.967 -4.399 -8.915) 9.988 4.256 ( 0.967 -4.399 8.915) 9.988 4.364 ( 0.195 -3.898 -8.740) 9.572 4.364 ( 0.195 -3.898 8.740) 9.572 4.690 ( 1.593 -0.973 -3.399) 3.878 4.690 ( 1.593 -0.973 3.399) 3.878 4.894 ( -4.310 3.627 -4.178) 7.014 4.894 ( -4.310 3.627 4.178) 7.014 5.809 ( 7.781 1.463 -15.907) 17.768 5.809 ( 7.781 1.463 15.907) 17.768 5.939 ( 2.628 2.358 -6.544) 7.436 5.939 ( 2.628 2.358 6.544) 7.436 6.864 ( 7.337 0.576 -10.169) 12.553 6.864 ( 7.337 0.576 10.169) 12.553 6.991 ( 5.202 0.006 -5.042) 7.244 6.991 ( 5.202 0.006 5.042) 7.244 8.061 ( 4.745 -1.553 -8.076) 9.495 8.061 ( 4.745 -1.553 8.076) 9.495 8.377 ( 1.505 0.234 -0.461) 1.591 8.377 ( 1.505 0.234 0.461) 1.591 8.701 ( 2.217 -1.666 -8.809) 9.235 8.701 ( 2.217 -1.666 8.809) 9.235 9.488 ( -25.762 1.339 -12.715) 28.760 9.488 ( -25.762 1.339 12.715) 28.760 11.455 ( 12.340 -3.895 -7.983) 15.204 11.455 ( 12.340 -3.895 7.983) 15.204 12.001 ( -4.168 1.238 -9.216) 10.190 12.001 ( -4.168 1.238 9.216) 10.190 21.080 ( 3.012 -0.082 -3.617) 4.708 21.080 ( 3.012 -0.082 3.617) 4.708 21.268 ( -1.709 -0.653 -8.499) 8.693 21.268 ( -1.709 -0.653 8.499) 8.693 21.521 ( 3.895 2.104 -8.745) 9.802 21.521 ( 3.895 2.104 8.745) 9.802 21.661 ( -0.193 -0.136 -10.985) 10.987 21.661 ( -0.193 -0.136 10.985) 10.987 24.050 ( 3.616 -0.179 -8.644) 9.371 24.050 ( 3.616 -0.179 8.644) 9.371 24.289 ( -3.308 0.129 -5.196) 6.161 24.289 ( -3.308 0.129 5.196) 6.161 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 4.644 -0.763 -7.755) 9.071 2.783 ( 4.644 -0.763 7.755) 9.071 2.900 ( -6.341 0.571 -7.232) 9.635 2.900 ( -6.341 0.571 7.232) 9.635 3.651 ( 8.205 -0.452 -17.623) 19.445 3.651 ( 8.205 -0.452 17.623) 19.445 3.780 ( -2.782 -0.286 -14.918) 15.178 3.780 ( -2.782 -0.286 14.918) 15.178 4.270 ( 0.641 -5.279 -7.574) 9.254 4.270 ( 0.641 -5.279 7.574) 9.254 4.345 ( -1.394 -5.613 -6.326) 8.571 4.345 ( -1.394 -5.613 6.326) 8.571 4.727 ( 1.739 2.160 -3.701) 4.624 4.727 ( 1.739 2.160 3.701) 4.624 4.821 ( -2.732 3.544 -10.192) 11.131 4.821 ( -2.732 3.544 10.192) 11.131 5.921 ( 3.625 2.803 -14.800) 15.493 5.921 ( 3.625 2.803 14.800) 15.493 5.967 ( 0.048 3.781 -10.537) 11.195 5.967 ( 0.048 3.781 10.537) 11.195 6.997 ( 5.156 0.148 -6.737) 8.485 6.997 ( 5.156 0.148 6.737) 8.485 7.050 ( 0.593 0.289 -4.230) 4.282 7.050 ( 0.593 0.289 4.230) 4.282 8.216 ( 10.094 -1.907 -6.267) 12.033 8.216 ( 10.094 -1.907 6.267) 12.033 8.369 ( -3.471 -1.318 -1.877) 4.160 8.369 ( -3.471 -1.318 1.877) 4.160 8.773 ( 6.684 -0.695 -10.973) 12.867 8.773 ( 6.684 -0.695 10.973) 12.867 9.029 ( -19.887 0.978 -13.103) 23.836 9.029 ( -19.887 0.978 13.103) 23.836 11.686 ( 11.171 -2.118 -9.171) 14.608 11.686 ( 11.171 -2.118 9.171) 14.608 11.880 ( -8.220 -0.247 -9.571) 12.619 11.880 ( -8.220 -0.247 9.571) 12.619 21.143 ( 3.528 0.135 -4.672) 5.856 21.143 ( 3.528 0.135 4.672) 5.856 21.213 ( -3.492 0.114 -6.391) 7.284 21.213 ( -3.492 0.114 6.391) 7.284 21.596 ( 3.460 0.736 -11.163) 11.710 21.596 ( 3.460 0.736 11.163) 11.710 21.646 ( -1.572 0.200 -11.871) 11.976 21.646 ( -1.572 0.200 11.871) 11.976 24.129 ( 4.451 -0.176 -8.594) 9.679 24.129 ( 4.451 -0.176 8.594) 9.679 24.215 ( -4.256 -0.089 -7.241) 8.400 24.215 ( -4.256 -0.089 7.241) 8.400 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 0.000 6.661 -9.251) 11.400 2.722 ( 0.000 6.661 9.251) 11.400 3.165 ( 0.000 8.638 -6.073) 10.559 3.165 ( 0.000 8.638 6.073) 10.559 3.375 ( 0.000 2.977 -10.046) 10.478 3.375 ( 0.000 2.977 10.046) 10.478 3.607 ( 0.000 -3.805 -14.654) 15.140 3.607 ( 0.000 -3.805 14.654) 15.140 3.912 ( 0.000 -0.016 -3.268) 3.268 3.912 ( 0.000 -0.016 3.268) 3.268 4.257 ( 0.000 -7.577 -1.630) 7.751 4.257 ( 0.000 -7.577 1.630) 7.751 4.704 ( 0.000 0.252 -7.328) 7.332 4.704 ( 0.000 0.252 7.328) 7.332 5.107 ( 0.000 1.859 -1.433) 2.347 5.107 ( 0.000 1.859 1.433) 2.347 5.491 ( 0.000 1.701 -7.392) 7.585 5.491 ( 0.000 1.701 7.392) 7.585 5.703 ( 0.000 -4.511 -2.066) 4.962 5.703 ( 0.000 -4.511 2.066) 4.962 6.614 ( 0.000 -0.481 -4.999) 5.022 6.614 ( 0.000 -0.481 4.999) 5.022 6.790 ( 0.000 1.633 -19.868) 19.935 6.790 ( 0.000 1.633 19.868) 19.935 8.051 ( 0.000 -1.886 -4.730) 5.092 8.051 ( 0.000 -1.886 4.730) 5.092 8.364 ( 0.000 2.440 -1.651) 2.946 8.364 ( 0.000 2.440 1.651) 2.946 8.571 ( 0.000 -0.868 -5.648) 5.714 8.571 ( 0.000 -0.868 5.648) 5.714 10.527 ( 0.000 1.764 -12.964) 13.084 10.527 ( 0.000 1.764 12.964) 13.084 10.845 ( 0.000 -6.612 -8.609) 10.855 10.845 ( 0.000 -6.612 8.609) 10.855 12.055 ( 0.000 2.837 -1.896) 3.412 12.055 ( 0.000 2.837 1.896) 3.412 20.956 ( 0.000 -0.757 -3.196) 3.284 20.956 ( 0.000 -0.757 3.196) 3.284 21.150 ( 0.000 -1.532 -1.532) 2.166 21.150 ( 0.000 -1.532 1.532) 2.166 21.521 ( 0.000 4.540 -6.605) 8.015 21.521 ( 0.000 4.540 6.605) 8.015 21.681 ( 0.000 -0.963 -10.453) 10.497 21.681 ( 0.000 -0.963 10.453) 10.497 23.952 ( 0.000 -0.237 -4.559) 4.566 23.952 ( 0.000 -0.237 4.559) 4.566 24.403 ( 0.000 0.935 -1.804) 2.032 24.403 ( 0.000 0.935 1.804) 2.032 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -1.977 4.928 -9.750) 11.102 2.698 ( -1.977 4.928 9.750) 11.102 3.164 ( -0.781 4.334 -6.289) 7.678 3.164 ( -0.781 4.334 6.289) 7.678 3.407 ( 3.044 5.910 -16.784) 18.053 3.407 ( 3.044 5.910 16.784) 18.053 3.644 ( 3.442 -1.965 -12.074) 12.708 3.644 ( 3.442 -1.965 12.074) 12.708 3.989 ( 7.367 -0.883 -7.898) 10.836 3.989 ( 7.367 -0.883 7.898) 10.836 4.258 ( 0.054 -7.108 -4.351) 8.334 4.258 ( 0.054 -7.108 4.351) 8.334 4.673 ( -2.591 0.097 -7.909) 8.323 4.673 ( -2.591 0.097 7.909) 8.323 5.088 ( -2.016 1.717 -4.489) 5.212 5.088 ( -2.016 1.717 4.489) 5.212 5.540 ( 5.025 2.380 -8.241) 9.942 5.540 ( 5.025 2.380 8.241) 9.942 5.740 ( 3.768 -4.409 -2.598) 6.354 5.740 ( 3.768 -4.409 2.598) 6.354 6.662 ( 4.493 -0.234 -4.917) 6.664 6.662 ( 4.493 -0.234 4.917) 6.664 6.807 ( 1.986 1.372 -18.656) 18.812 6.807 ( 1.986 1.372 18.656) 18.812 8.028 ( -2.009 -1.727 -3.702) 4.553 8.028 ( -2.009 -1.727 3.702) 4.553 8.367 ( 0.366 2.363 -2.647) 3.567 8.367 ( 0.366 2.363 2.647) 3.567 8.589 ( 1.654 -1.237 -7.097) 7.392 8.589 ( 1.654 -1.237 7.097) 7.392 10.381 ( -14.513 1.685 -13.125) 19.640 10.381 ( -14.513 1.685 13.125) 19.640 10.915 ( 7.142 -6.172 -9.502) 13.394 10.915 ( 7.142 -6.172 9.502) 13.394 12.076 ( 1.587 2.585 -5.260) 6.072 12.076 ( 1.587 2.585 5.260) 6.072 20.973 ( 1.745 -0.648 -3.231) 3.729 20.973 ( 1.745 -0.648 3.231) 3.729 21.175 ( 2.425 -1.460 -4.577) 5.382 21.175 ( 2.425 -1.460 4.577) 5.382 21.531 ( 0.896 4.477 -7.355) 8.657 21.531 ( 0.896 4.477 7.355) 8.657 21.669 ( -1.092 -1.081 -10.005) 10.122 21.669 ( -1.092 -1.081 10.005) 10.122 23.961 ( 0.903 -0.208 -5.394) 5.473 23.961 ( 0.903 -0.208 5.394) 5.473 24.390 ( -1.323 0.793 -2.097) 2.603 24.390 ( -1.323 0.793 2.097) 2.603 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -0.681 1.582 -9.477) 9.633 2.668 ( -0.681 1.582 9.477) 9.633 3.126 ( -3.208 0.896 -6.517) 7.319 3.126 ( -3.208 0.896 6.517) 7.319 3.472 ( 3.526 6.788 -18.895) 20.384 3.472 ( 3.526 6.788 18.895) 20.384 3.719 ( 3.682 -1.387 -9.249) 10.051 3.719 ( 3.682 -1.387 9.249) 10.051 4.136 ( 5.712 -1.345 -10.999) 12.467 4.136 ( 5.712 -1.345 10.999) 12.467 4.259 ( -0.016 -5.893 -5.982) 8.397 4.259 ( -0.016 -5.893 5.982) 8.397 4.646 ( 0.940 0.140 -8.124) 8.179 4.646 ( 0.940 0.140 8.124) 8.179 5.029 ( -3.890 1.531 -5.224) 6.691 5.029 ( -3.890 1.531 5.224) 6.691 5.679 ( 8.962 3.133 -10.452) 14.120 5.679 ( 8.962 3.133 10.452) 14.120 5.843 ( 6.624 -2.896 -0.716) 7.265 5.843 ( 6.624 -2.896 0.716) 7.265 6.765 ( 5.837 1.218 -8.751) 10.590 6.765 ( 5.837 1.218 8.751) 10.590 6.876 ( 5.172 -0.084 -14.131) 15.048 6.876 ( 5.172 -0.084 14.131) 15.048 7.994 ( -0.793 -1.524 -4.068) 4.416 7.994 ( -0.793 -1.524 4.068) 4.416 8.377 ( 0.578 1.697 -3.079) 3.563 8.377 ( 0.578 1.697 3.079) 3.563 8.624 ( 1.835 -1.754 -8.518) 8.888 8.624 ( 1.835 -1.754 8.518) 8.888 10.004 ( -23.414 1.488 -12.568) 26.616 10.004 ( -23.414 1.488 12.568) 26.616 11.108 ( 12.394 -5.038 -10.177) 16.809 11.108 ( 12.394 -5.038 10.177) 16.809 12.088 ( -0.976 1.917 -8.450) 8.719 12.088 ( -0.976 1.917 8.450) 8.719 21.018 ( 2.795 -0.367 -3.287) 4.330 21.018 ( 2.795 -0.367 3.287) 4.330 21.230 ( 2.685 -1.181 -8.043) 8.561 21.230 ( 2.685 -1.181 8.043) 8.561 21.548 ( 0.774 3.954 -8.134) 9.077 21.548 ( 0.774 3.954 8.134) 9.077 21.652 ( -0.378 -1.134 -9.384) 9.460 21.652 ( -0.378 -1.134 9.384) 9.460 23.990 ( 2.185 -0.166 -7.136) 7.464 23.990 ( 2.185 -0.166 7.136) 7.464 24.352 ( -2.554 0.458 -3.269) 4.174 24.352 ( -2.554 0.458 3.269) 4.174 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 2.715 -0.400 -8.580) 9.009 2.686 ( 2.715 -0.400 8.580) 9.009 3.038 ( -5.884 0.393 -6.845) 9.035 3.038 ( -5.884 0.393 6.845) 9.035 3.550 ( 4.721 4.462 -17.745) 18.896 3.550 ( 4.721 4.462 17.745) 18.896 3.768 ( 0.986 -2.815 -10.783) 11.188 3.768 ( 0.986 -2.815 10.783) 11.188 4.184 ( 0.333 -2.229 -7.351) 7.688 4.184 ( 0.333 -2.229 7.351) 7.688 4.250 ( -1.137 -5.197 -3.363) 6.293 4.250 ( -1.137 -5.197 3.363) 6.293 4.709 ( 4.417 1.566 -4.568) 6.544 4.709 ( 4.417 1.566 4.568) 6.544 4.948 ( -4.256 1.660 -4.840) 6.655 4.948 ( -4.256 1.660 4.840) 6.655 5.854 ( 8.297 2.558 -11.503) 14.412 5.854 ( 8.297 2.558 11.503) 14.412 5.974 ( 5.979 0.628 -4.658) 7.605 5.974 ( 5.979 0.628 4.658) 7.605 6.889 ( 7.029 2.001 -8.950) 11.555 6.889 ( 7.029 2.001 8.950) 11.555 6.987 ( 5.445 -0.742 -9.640) 11.097 6.987 ( 5.445 -0.742 9.640) 11.097 8.024 ( 4.498 -1.693 -6.480) 8.067 8.024 ( 4.498 -1.693 6.480) 8.067 8.381 ( -0.497 0.139 -2.829) 2.876 8.381 ( -0.497 0.139 2.829) 2.876 8.664 ( 2.686 -1.586 -9.375) 9.880 8.664 ( 2.686 -1.586 9.375) 9.880 9.517 ( -26.066 1.194 -12.567) 28.962 9.517 ( -26.066 1.194 12.567) 28.962 11.371 ( 14.292 -3.524 -10.689) 18.191 11.371 ( 14.292 -3.524 10.689) 18.191 12.025 ( -5.637 0.904 -10.185) 11.676 12.025 ( -5.637 0.904 10.185) 11.676 21.078 ( 3.351 -0.052 -3.622) 4.934 21.078 ( 3.351 -0.052 3.622) 4.934 21.255 ( -0.475 -0.479 -8.713) 8.739 21.255 ( -0.475 -0.479 8.713) 8.739 21.569 ( 1.742 2.211 -8.098) 8.573 21.569 ( 1.742 2.211 8.098) 8.573 21.655 ( 0.323 -0.453 -10.641) 10.656 21.655 ( 0.323 -0.453 10.641) 10.656 24.046 ( 3.606 -0.161 -8.492) 9.227 24.046 ( 3.606 -0.161 8.492) 9.227 24.292 ( -3.651 0.116 -5.206) 6.360 24.292 ( -3.651 0.116 5.206) 6.360 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 5.859 -0.326 -7.632) 9.627 2.771 ( 5.859 -0.326 7.632) 9.627 2.908 ( -7.132 0.136 -7.263) 10.180 2.908 ( -7.132 0.136 7.263) 10.180 3.648 ( 4.694 0.523 -16.039) 16.720 3.648 ( 4.694 0.523 16.039) 16.720 3.751 ( -2.403 -2.714 -14.237) 14.691 3.751 ( -2.403 -2.714 14.237) 14.691 4.183 ( -0.067 -2.691 -8.720) 9.126 4.183 ( -0.067 -2.691 8.720) 9.126 4.226 ( -0.909 -4.748 -3.677) 6.074 4.226 ( -0.909 -4.748 3.677) 6.074 4.785 ( 3.132 2.731 -2.723) 4.968 4.785 ( 3.132 2.731 2.723) 4.968 4.874 ( -3.081 1.602 -7.941) 8.667 4.874 ( -3.081 1.602 7.941) 8.667 5.984 ( 4.857 2.632 -11.534) 12.789 5.984 ( 4.857 2.632 11.534) 12.789 6.038 ( 0.272 2.537 -8.411) 8.790 6.038 ( 0.272 2.537 8.411) 8.790 7.011 ( 4.522 1.340 -6.429) 7.973 7.011 ( 4.522 1.340 6.429) 7.973 7.057 ( 1.331 0.209 -7.017) 7.145 7.057 ( 1.331 0.209 7.017) 7.145 8.173 ( 9.840 -1.952 -4.871) 11.152 8.173 ( 9.840 -1.952 4.871) 11.152 8.335 ( -5.024 -1.645 -2.431) 5.819 8.335 ( -5.024 -1.645 2.431) 5.819 8.760 ( 8.577 -0.450 -11.085) 14.022 8.760 ( 8.577 -0.450 11.085) 14.022 9.047 ( -20.878 0.622 -12.861) 24.529 9.047 ( -20.878 0.622 12.861) 24.529 11.641 ( 13.194 -1.860 -11.029) 17.297 11.641 ( 13.194 -1.860 11.029) 17.297 11.872 ( -10.045 -0.441 -10.874) 14.810 11.872 ( -10.045 -0.441 10.874) 14.810 21.146 ( 3.666 0.157 -4.905) 6.126 21.146 ( 3.666 0.157 4.905) 6.126 21.215 ( -3.170 0.082 -6.724) 7.434 21.215 ( -3.170 0.082 6.724) 7.434 21.613 ( 2.435 0.822 -10.371) 10.685 21.613 ( 2.435 0.822 10.371) 10.685 21.650 ( -1.041 0.121 -11.460) 11.507 21.650 ( -1.041 0.121 11.460) 11.507 24.126 ( 4.477 -0.165 -8.549) 9.652 24.126 ( 4.477 -0.165 8.549) 9.652 24.213 ( -4.421 -0.101 -7.245) 8.488 24.213 ( -4.421 -0.101 7.245) 8.488 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.000 0.000 -6.861) 6.861 2.803 ( 0.000 0.000 6.861) 6.861 3.223 ( 0.000 0.000 -5.568) 5.568 3.223 ( 0.000 0.000 5.568) 5.568 3.495 ( 0.000 -0.000 -24.954) 24.954 3.495 ( 0.000 0.000 24.954) 24.954 3.534 ( 0.000 0.000 -19.777) 19.777 3.534 ( 0.000 0.000 19.777) 19.777 3.893 ( 0.000 0.000 -4.933) 4.933 3.893 ( 0.000 0.000 4.933) 4.933 4.169 ( 0.000 0.000 -1.632) 1.632 4.169 ( 0.000 0.000 1.632) 1.632 4.712 ( 0.000 0.000 -7.084) 7.084 4.712 ( 0.000 0.000 7.084) 7.084 5.117 ( 0.000 0.000 -4.373) 4.373 5.117 ( 0.000 0.000 4.373) 4.373 5.528 ( 0.000 0.000 -0.116) 0.116 5.528 ( 0.000 0.000 0.116) 0.116 5.641 ( 0.000 -0.000 -2.977) 2.977 5.641 ( 0.000 -0.000 2.977) 2.977 6.612 ( 0.000 0.000 -6.112) 6.112 6.612 ( 0.000 0.000 6.112) 6.112 6.804 ( 0.000 0.000 -22.670) 22.670 6.804 ( 0.000 0.000 22.670) 22.670 8.032 ( 0.000 0.000 -3.931) 3.931 8.032 ( 0.000 0.000 3.931) 3.931 8.394 ( 0.000 0.000 -4.290) 4.290 8.394 ( 0.000 0.000 4.290) 4.290 8.556 ( 0.000 0.000 -7.325) 7.325 8.556 ( 0.000 0.000 7.325) 7.325 10.553 ( 0.000 0.000 -14.258) 14.258 10.553 ( 0.000 0.000 14.258) 14.258 10.766 ( 0.000 0.000 -12.155) 12.155 10.766 ( 0.000 0.000 12.155) 12.155 12.086 ( 0.000 0.000 -2.386) 2.386 12.086 ( 0.000 0.000 2.386) 2.386 20.948 ( 0.000 0.000 -2.760) 2.760 20.948 ( 0.000 0.000 2.760) 2.760 21.134 ( 0.000 0.000 -2.476) 2.476 21.134 ( 0.000 0.000 2.476) 2.476 21.576 ( 0.000 0.000 -6.139) 6.139 21.576 ( 0.000 0.000 6.139) 6.139 21.665 ( 0.000 -0.000 -11.242) 11.242 21.665 ( 0.000 0.000 11.242) 11.242 23.950 ( 0.000 0.000 -4.232) 4.232 23.950 ( 0.000 0.000 4.232) 4.232 24.413 ( 0.000 0.000 -2.026) 2.026 24.413 ( 0.000 0.000 2.026) 2.026 ======================= Grid point 373 (117/120) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -3.808 0.000 -7.870) 8.743 2.760 ( -3.808 0.000 7.870) 8.743 3.191 ( -2.599 0.000 -5.825) 6.379 3.191 ( -2.599 0.000 5.825) 6.379 3.526 ( 2.824 0.000 -24.685) 24.846 3.526 ( 2.824 0.000 24.685) 24.846 3.597 ( 4.485 -0.000 -14.499) 15.177 3.597 ( 4.485 0.000 14.499) 15.177 3.971 ( 7.938 0.000 -10.384) 13.070 3.971 ( 7.938 0.000 10.384) 13.070 4.174 ( 0.397 0.000 -4.188) 4.207 4.174 ( 0.397 -0.000 4.188) 4.207 4.678 ( -2.747 -0.000 -7.785) 8.255 4.678 ( -2.747 0.000 7.785) 8.255 5.099 ( -1.953 -0.000 -5.577) 5.909 5.099 ( -1.953 0.000 5.577) 5.909 5.593 ( 6.566 0.000 -1.919) 6.840 5.593 ( 6.566 0.000 1.919) 6.840 5.668 ( 2.993 -0.000 -6.941) 7.559 5.668 ( 2.993 -0.000 6.941) 7.559 6.663 ( 4.961 0.000 -5.687) 7.547 6.663 ( 4.961 -0.000 5.687) 7.547 6.818 ( 1.539 0.000 -22.413) 22.466 6.818 ( 1.539 0.000 22.413) 22.466 8.010 ( -1.895 0.000 -2.932) 3.491 8.010 ( -1.895 0.000 2.932) 3.491 8.396 ( 0.180 0.000 -4.279) 4.283 8.396 ( 0.180 0.000 4.279) 4.283 8.571 ( 1.370 0.000 -8.374) 8.486 8.571 ( 1.370 0.000 8.374) 8.486 10.403 ( -14.789 0.000 -13.553) 20.060 10.403 ( -14.789 0.000 13.553) 20.060 10.844 ( 7.809 0.000 -12.148) 14.442 10.844 ( 7.809 0.000 12.148) 14.442 12.104 ( 1.314 0.000 -5.572) 5.725 12.104 ( 1.314 0.000 5.572) 5.725 20.966 ( 1.862 0.000 -3.135) 3.646 20.966 ( 1.862 0.000 3.135) 3.646 21.160 ( 2.503 0.000 -5.132) 5.710 21.160 ( 2.503 0.000 5.132) 5.710 21.588 ( 1.192 0.000 -6.970) 7.071 21.588 ( 1.192 0.000 6.970) 7.071 21.648 ( -1.585 -0.000 -10.754) 10.870 21.648 ( -1.585 0.000 10.754) 10.870 23.958 ( 0.931 0.000 -5.136) 5.220 23.958 ( 0.931 0.000 5.136) 5.220 24.399 ( -1.480 0.000 -2.243) 2.687 24.399 ( -1.480 0.000 2.243) 2.687 ======================= Grid point 377 (118/120) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -2.498 0.000 -8.692) 9.044 2.691 ( -2.498 0.000 8.692) 9.044 3.132 ( -3.668 0.000 -6.362) 7.343 3.132 ( -3.668 -0.000 6.362) 7.343 3.588 ( 3.227 0.000 -23.418) 23.639 3.588 ( 3.227 0.000 23.418) 23.639 3.659 ( 1.967 -0.000 -8.767) 8.985 3.659 ( 1.967 0.000 8.767) 8.985 4.135 ( 6.349 0.000 -17.153) 18.290 4.135 ( 6.349 0.000 17.153) 18.290 4.180 ( 0.195 -0.000 -6.483) 6.486 4.180 ( 0.195 -0.000 6.483) 6.486 4.652 ( 1.314 -0.000 -8.705) 8.804 4.652 ( 1.314 0.000 8.705) 8.804 5.042 ( -3.736 -0.000 -5.404) 6.570 5.042 ( -3.736 0.000 5.404) 6.570 5.758 ( 6.072 0.000 -9.464) 11.244 5.758 ( 6.072 0.000 9.464) 11.244 5.768 ( 10.982 -0.000 -2.394) 11.240 5.768 ( 10.982 -0.000 2.394) 11.240 6.787 ( 7.382 -0.000 -5.175) 9.015 6.787 ( 7.382 -0.000 5.175) 9.015 6.868 ( 3.723 0.000 -20.671) 21.004 6.868 ( 3.723 0.000 20.671) 21.004 7.978 ( -0.827 0.000 -3.472) 3.569 7.978 ( -0.827 0.000 3.472) 3.569 8.397 ( -0.150 0.000 -4.191) 4.194 8.397 ( -0.150 0.000 4.191) 4.194 8.602 ( 1.791 0.000 -9.381) 9.551 8.602 ( 1.791 0.000 9.381) 9.551 10.022 ( -23.607 0.000 -12.601) 26.760 10.022 ( -23.607 0.000 12.601) 26.760 11.052 ( 13.223 0.000 -12.109) 17.930 11.052 ( 13.223 0.000 12.109) 17.930 12.109 ( -1.458 0.000 -8.790) 8.910 12.109 ( -1.458 0.000 8.790) 8.910 21.014 ( 2.979 0.000 -3.475) 4.577 21.014 ( 2.979 0.000 3.475) 4.577 21.218 ( 2.918 0.000 -8.422) 8.913 21.218 ( 2.918 0.000 8.422) 8.913 21.612 ( -1.783 0.000 -9.325) 9.494 21.612 ( -1.783 0.000 9.325) 9.494 21.618 ( 1.743 -0.000 -9.004) 9.171 21.618 ( 1.743 -0.000 9.004) 9.171 23.988 ( 2.200 0.000 -6.988) 7.326 23.988 ( 2.200 0.000 6.988) 7.326 24.357 ( -2.770 0.000 -3.312) 4.318 24.357 ( -2.770 0.000 3.312) 4.318 ======================= Grid point 381 (119/120) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 2.084 0.000 -8.570) 8.819 2.685 ( 2.084 0.000 8.570) 8.819 3.041 ( -5.881 0.000 -6.952) 9.106 3.041 ( -5.881 -0.000 6.952) 9.106 3.643 ( 2.417 0.000 -20.593) 20.734 3.643 ( 2.417 0.000 20.593) 20.734 3.683 ( 0.726 -0.000 -9.204) 9.233 3.683 ( 0.726 -0.000 9.204) 9.233 4.179 ( -0.404 0.000 -6.915) 6.926 4.179 ( -0.404 0.000 6.915) 6.926 4.180 ( -0.465 -0.000 -13.297) 13.306 4.180 ( -0.465 -0.000 13.297) 13.306 4.728 ( 5.157 -0.000 -6.058) 7.956 4.728 ( 5.157 0.000 6.058) 7.956 4.964 ( -4.103 0.000 -3.999) 5.729 4.964 ( -4.103 0.000 3.999) 5.729 5.889 ( 7.097 0.000 -9.878) 12.163 5.889 ( 7.097 0.000 9.878) 12.163 5.973 ( 8.650 0.000 -4.740) 9.864 5.973 ( 8.650 0.000 4.740) 9.864 6.930 ( 6.931 -0.000 -5.768) 9.017 6.930 ( 6.931 -0.000 5.768) 9.017 6.963 ( 5.798 0.000 -16.170) 17.178 6.963 ( 5.798 0.000 16.170) 17.178 8.004 ( 4.244 0.000 -6.043) 7.384 8.004 ( 4.244 0.000 6.043) 7.384 8.383 ( -1.674 0.000 -3.861) 4.208 8.383 ( -1.674 0.000 3.861) 4.208 8.646 ( 3.185 0.000 -9.810) 10.314 8.646 ( 3.185 0.000 9.810) 10.314 9.530 ( -26.323 0.000 -12.540) 29.157 9.530 ( -26.323 0.000 12.540) 29.157 11.332 ( 15.233 0.000 -12.036) 19.414 11.332 ( 15.233 0.000 12.036) 19.414 12.035 ( -6.309 0.000 -10.614) 12.347 12.035 ( -6.309 0.000 10.614) 12.347 21.078 ( 3.512 0.000 -3.819) 5.188 21.078 ( 3.512 0.000 3.819) 5.188 21.250 ( -0.048 -0.000 -9.097) 9.097 21.250 ( -0.048 0.000 9.097) 9.097 21.596 ( 0.426 0.000 -8.171) 8.182 21.596 ( 0.426 0.000 8.171) 8.182 21.647 ( 1.021 -0.000 -11.006) 11.053 21.647 ( 1.021 0.000 11.006) 11.053 24.044 ( 3.598 -0.000 -8.428) 9.164 24.044 ( 3.598 0.000 8.428) 9.164 24.293 ( -3.821 0.000 -5.222) 6.471 24.293 ( -3.821 0.000 5.222) 6.471 ======================= Grid point 385 (120/120) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 6.282 0.000 -7.956) 10.137 2.769 ( 6.282 0.000 7.956) 10.137 2.908 ( -7.569 0.000 -7.366) 10.562 2.908 ( -7.569 -0.000 7.366) 10.562 3.678 ( 1.200 0.000 -16.463) 16.507 3.678 ( 1.200 0.000 16.463) 16.507 3.690 ( -0.068 -0.000 -12.235) 12.235 3.690 ( -0.068 -0.000 12.235) 12.235 4.166 ( -0.431 0.000 -8.325) 8.337 4.166 ( -0.431 0.000 8.325) 8.337 4.168 ( -0.531 -0.000 -6.532) 6.554 4.168 ( -0.531 -0.000 6.532) 6.554 4.817 ( 4.005 -0.000 -5.616) 6.898 4.817 ( 4.005 0.000 5.616) 6.898 4.889 ( -3.678 0.000 -4.632) 5.915 4.889 ( -3.678 0.000 4.632) 5.915 6.012 ( 5.121 0.000 -9.995) 11.230 6.012 ( 5.121 0.000 9.995) 11.230 6.063 ( 0.560 0.000 -8.720) 8.738 6.063 ( 0.560 0.000 8.720) 8.738 7.037 ( 3.681 -0.000 -7.934) 8.747 7.037 ( 3.681 -0.000 7.934) 8.747 7.053 ( 2.329 0.000 -11.480) 11.714 7.053 ( 2.329 0.000 11.480) 11.714 8.150 ( 9.936 0.000 -4.712) 10.997 8.150 ( 9.936 0.000 4.712) 10.997 8.315 ( -5.892 0.000 -2.890) 6.563 8.315 ( -5.892 0.000 2.890) 6.563 8.755 ( 9.381 0.000 -11.262) 14.657 8.755 ( 9.381 0.000 11.262) 14.657 9.053 ( -21.402 0.000 -12.914) 24.996 9.053 ( -21.402 0.000 12.914) 24.996 11.621 ( 14.202 0.000 -11.885) 18.519 11.621 ( 14.202 0.000 11.885) 18.519 11.867 ( -10.952 0.000 -11.502) 15.883 11.867 ( -10.952 0.000 11.502) 15.883 21.148 ( 3.742 0.000 -5.074) 6.305 21.148 ( 3.742 0.000 5.074) 6.305 21.216 ( -3.027 -0.000 -7.134) 7.750 21.216 ( -3.027 0.000 7.134) 7.750 21.623 ( 1.861 0.000 -10.085) 10.255 21.623 ( 1.861 0.000 10.085) 10.255 21.651 ( -0.700 0.000 -11.585) 11.606 21.651 ( -0.700 0.000 11.585) 11.606 24.124 ( 4.491 -0.000 -8.539) 9.648 24.124 ( 4.491 0.000 8.539) 9.648 24.212 ( -4.506 0.000 -7.252) 8.537 24.212 ( -4.506 0.000 7.252) 8.537 =================== 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 3/25920 10.0 911.591 939.065 848.404 0.000 0.000 0.000 3/25920 20.0 258.423 155.218 335.406 0.000 0.000 0.000 3/25920 30.0 98.085 47.503 140.925 0.000 0.000 0.000 3/25920 40.0 51.683 22.971 77.577 0.000 0.000 0.000 3/25920 50.0 32.983 14.202 50.636 0.000 0.000 0.000 3/25920 60.0 23.708 10.056 36.757 0.000 0.000 0.000 3/25920 70.0 18.405 7.726 28.617 0.000 0.000 0.000 3/25920 80.0 15.055 6.260 23.387 0.000 0.000 0.000 3/25920 90.0 12.777 5.262 19.792 0.000 0.000 0.000 3/25920 100.0 11.138 4.542 17.189 0.000 0.000 0.000 3/25920 110.0 9.906 4.001 15.225 0.000 0.000 0.000 3/25920 120.0 8.947 3.579 13.694 0.000 0.000 0.000 3/25920 130.0 8.178 3.241 12.468 0.000 0.000 0.000 3/25920 140.0 7.546 2.964 11.465 0.000 0.000 0.000 3/25920 150.0 7.018 2.733 10.630 0.000 0.000 0.000 3/25920 160.0 6.569 2.537 9.923 0.000 0.000 0.000 3/25920 170.0 6.183 2.369 9.318 0.000 0.000 0.000 3/25920 180.0 5.845 2.223 8.793 0.000 0.000 0.000 3/25920 190.0 5.549 2.095 8.334 0.000 0.000 0.000 3/25920 200.0 5.285 1.982 7.928 0.000 0.000 0.000 3/25920 210.0 5.049 1.881 7.566 0.000 0.000 0.000 3/25920 220.0 4.837 1.790 7.242 0.000 0.000 0.000 3/25920 230.0 4.644 1.708 6.949 0.000 0.000 0.000 3/25920 240.0 4.468 1.634 6.683 0.000 0.000 0.000 3/25920 250.0 4.307 1.566 6.440 0.000 0.000 0.000 3/25920 260.0 4.159 1.504 6.216 0.000 0.000 0.000 3/25920 270.0 4.022 1.446 6.010 0.000 0.000 0.000 3/25920 280.0 3.894 1.394 5.819 0.000 0.000 0.000 3/25920 290.0 3.775 1.345 5.641 0.000 0.000 0.000 3/25920 300.0 3.664 1.299 5.475 0.000 0.000 0.000 3/25920 310.0 3.560 1.257 5.320 0.000 0.000 0.000 3/25920 320.0 3.463 1.217 5.174 0.000 0.000 0.000 3/25920 330.0 3.370 1.180 5.036 0.000 0.000 0.000 3/25920 340.0 3.283 1.145 4.907 0.000 0.000 0.000 3/25920 350.0 3.201 1.112 4.784 0.000 0.000 0.000 3/25920 360.0 3.123 1.081 4.667 0.000 0.000 0.000 3/25920 370.0 3.048 1.052 4.557 0.000 0.000 0.000 3/25920 380.0 2.978 1.024 4.452 0.000 0.000 0.000 3/25920 390.0 2.910 0.998 4.351 0.000 0.000 0.000 3/25920 400.0 2.846 0.973 4.255 0.000 0.000 0.000 3/25920 410.0 2.784 0.949 4.164 0.000 0.000 0.000 3/25920 420.0 2.725 0.927 4.076 0.000 0.000 0.000 3/25920 430.0 2.669 0.905 3.993 0.000 0.000 0.000 3/25920 440.0 2.615 0.885 3.912 0.000 0.000 0.000 3/25920 450.0 2.563 0.865 3.835 0.000 0.000 0.000 3/25920 460.0 2.513 0.847 3.761 0.000 0.000 0.000 3/25920 470.0 2.465 0.829 3.689 0.000 0.000 0.000 3/25920 480.0 2.419 0.812 3.620 0.000 0.000 0.000 3/25920 490.0 2.375 0.795 3.554 0.000 0.000 0.000 3/25920 500.0 2.332 0.780 3.490 0.000 0.000 0.000 3/25920 510.0 2.291 0.764 3.429 0.000 0.000 0.000 3/25920 520.0 2.251 0.750 3.369 0.000 0.000 0.000 3/25920 530.0 2.212 0.736 3.312 0.000 0.000 0.000 3/25920 540.0 2.175 0.722 3.256 0.000 0.000 0.000 3/25920 550.0 2.139 0.709 3.202 0.000 0.000 0.000 3/25920 560.0 2.104 0.697 3.150 0.000 0.000 0.000 3/25920 570.0 2.070 0.685 3.100 0.000 0.000 0.000 3/25920 580.0 2.037 0.673 3.051 0.000 0.000 0.000 3/25920 590.0 2.006 0.662 3.004 0.000 0.000 0.000 3/25920 600.0 1.975 0.651 2.958 0.000 0.000 0.000 3/25920 610.0 1.945 0.640 2.913 0.000 0.000 0.000 3/25920 620.0 1.916 0.630 2.870 0.000 0.000 0.000 3/25920 630.0 1.888 0.620 2.828 0.000 0.000 0.000 3/25920 640.0 1.861 0.610 2.787 0.000 0.000 0.000 3/25920 650.0 1.834 0.601 2.748 0.000 0.000 0.000 3/25920 660.0 1.808 0.592 2.709 0.000 0.000 0.000 3/25920 670.0 1.783 0.583 2.672 0.000 0.000 0.000 3/25920 680.0 1.759 0.575 2.635 0.000 0.000 0.000 3/25920 690.0 1.735 0.566 2.599 0.000 0.000 0.000 3/25920 700.0 1.712 0.558 2.565 0.000 0.000 0.000 3/25920 710.0 1.689 0.551 2.531 0.000 0.000 0.000 3/25920 720.0 1.667 0.543 2.498 0.000 0.000 0.000 3/25920 730.0 1.646 0.536 2.466 0.000 0.000 0.000 3/25920 740.0 1.625 0.528 2.435 0.000 0.000 0.000 3/25920 750.0 1.604 0.521 2.404 0.000 0.000 0.000 3/25920 760.0 1.584 0.515 2.375 0.000 0.000 0.000 3/25920 770.0 1.565 0.508 2.346 0.000 0.000 0.000 3/25920 780.0 1.546 0.502 2.317 0.000 0.000 0.000 3/25920 790.0 1.528 0.495 2.290 0.000 0.000 0.000 3/25920 800.0 1.510 0.489 2.263 0.000 0.000 0.000 3/25920 810.0 1.492 0.483 2.236 0.000 0.000 0.000 3/25920 820.0 1.475 0.477 2.210 0.000 0.000 0.000 3/25920 830.0 1.458 0.472 2.185 0.000 0.000 0.000 3/25920 840.0 1.441 0.466 2.161 0.000 0.000 0.000 3/25920 850.0 1.425 0.461 2.136 0.000 0.000 0.000 3/25920 860.0 1.409 0.455 2.113 0.000 0.000 0.000 3/25920 870.0 1.394 0.450 2.090 0.000 0.000 0.000 3/25920 880.0 1.379 0.445 2.067 0.000 0.000 0.000 3/25920 890.0 1.364 0.440 2.045 0.000 0.000 0.000 3/25920 900.0 1.350 0.435 2.023 0.000 0.000 0.000 3/25920 910.0 1.335 0.430 2.002 0.000 0.000 0.000 3/25920 920.0 1.322 0.426 1.981 0.000 0.000 0.000 3/25920 930.0 1.308 0.421 1.961 0.000 0.000 0.000 3/25920 940.0 1.295 0.417 1.941 0.000 0.000 0.000 3/25920 950.0 1.282 0.412 1.922 0.000 0.000 0.000 3/25920 960.0 1.269 0.408 1.902 0.000 0.000 0.000 3/25920 970.0 1.256 0.404 1.884 0.000 0.000 0.000 3/25920 980.0 1.244 0.400 1.865 0.000 0.000 0.000 3/25920 990.0 1.232 0.396 1.847 0.000 0.000 0.000 3/25920 1000.0 1.220 0.392 1.829 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m9610.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:11:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|