----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:03:34]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.267750020022316 0.000000000000000 0.000000000000000 b 0.000000000000000 7.030088990000000 0.000000000000000 c -6.119196216022270 0.000000000000000 9.724179927891933 Atomic positions (fractional): *1 Sr 0.34768692695100 0.62073085135563 0.62577540820283 87.620 2 Sr 0.65231307304900 0.37926914864437 0.37422459179717 87.620 3 Sr 0.34768692695100 0.87926914864437 0.12577540820283 87.620 4 Sr 0.65231307304900 0.12073085135563 0.87422459179717 87.620 *5 Hg 0.10421008174934 0.32956459638311 0.13158493346201 200.590 *6 Hg 0.27004682297976 0.06436357084375 0.39700421905982 200.590 7 Hg 0.72995317702024 0.56436357084375 0.10299578094018 200.590 8 Hg 0.10421008174934 0.17043540361689 0.63158493346201 200.590 9 Hg 0.89578991825066 0.67043540361689 0.86841506653799 200.590 10 Hg 0.89578991825066 0.82956459638311 0.36841506653799 200.590 11 Hg 0.72995317702024 0.93563642915625 0.60299578094018 200.590 12 Hg 0.27004682297976 0.43563642915625 0.89700421905982 200.590 *13 Cl 0.04224429810102 0.39844490731297 0.38377179301762 35.453 *14 Cl 0.41034389850930 0.81918386518686 0.87640431942538 35.453 15 Cl 0.95775570189898 0.60155509268703 0.61622820698238 35.453 16 Cl 0.95775570189898 0.89844490731297 0.11622820698238 35.453 17 Cl 0.04224429810102 0.10155509268703 0.88377179301762 35.453 18 Cl 0.58965610149070 0.31918386518686 0.62359568057462 35.453 19 Cl 0.58965610149070 0.18081613481314 0.12359568057462 35.453 20 Cl 0.41034389850930 0.68081613481314 0.37640431942538 35.453 *21 O 0.64790501722270 0.68128753315016 0.22997758467910 15.999 *22 O 0.17557828142965 0.92272282379811 0.50708027651645 15.999 23 O 0.64790501722270 0.81871246684984 0.72997758467910 15.999 24 O 0.82442171857035 0.07727717620189 0.49291972348356 15.999 25 O 0.35209498277730 0.18128753315016 0.27002241532090 15.999 26 O 0.17557828142965 0.57727717620189 0.00708027651645 15.999 27 O 0.35209498277730 0.31871246684984 0.77002241532090 15.999 28 O 0.82442171857035 0.42272282379811 0.99291972348355 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.267750020022316 0.000000000000000 0.000000000000000 b 0.000000000000000 7.030088990000000 0.000000000000000 c -6.119196216022270 0.000000000000000 9.724179927891933 Atomic positions (fractional): *1 Sr 0.34768692695100 0.62073085135563 0.62577540820283 87.620 > 1 2 Sr 0.65231307304900 0.37926914864437 0.37422459179717 87.620 > 2 3 Sr 0.34768692695100 0.87926914864437 0.12577540820283 87.620 > 3 4 Sr 0.65231307304900 0.12073085135563 0.87422459179717 87.620 > 4 *5 Hg 0.10421008174934 0.32956459638311 0.13158493346201 200.590 > 5 *6 Hg 0.27004682297976 0.06436357084375 0.39700421905982 200.590 > 6 7 Hg 0.72995317702024 0.56436357084375 0.10299578094018 200.590 > 7 8 Hg 0.10421008174934 0.17043540361689 0.63158493346201 200.590 > 8 9 Hg 0.89578991825066 0.67043540361689 0.86841506653799 200.590 > 9 10 Hg 0.89578991825066 0.82956459638311 0.36841506653799 200.590 > 10 11 Hg 0.72995317702024 0.93563642915625 0.60299578094018 200.590 > 11 12 Hg 0.27004682297976 0.43563642915625 0.89700421905982 200.590 > 12 *13 Cl 0.04224429810102 0.39844490731297 0.38377179301762 35.453 > 13 *14 Cl 0.41034389850930 0.81918386518686 0.87640431942538 35.453 > 14 15 Cl 0.95775570189898 0.60155509268703 0.61622820698238 35.453 > 15 16 Cl 0.95775570189898 0.89844490731297 0.11622820698238 35.453 > 16 17 Cl 0.04224429810102 0.10155509268703 0.88377179301762 35.453 > 17 18 Cl 0.58965610149070 0.31918386518686 0.62359568057462 35.453 > 18 19 Cl 0.58965610149070 0.18081613481314 0.12359568057462 35.453 > 19 20 Cl 0.41034389850930 0.68081613481314 0.37640431942538 35.453 > 20 *21 O 0.64790501722270 0.68128753315016 0.22997758467910 15.999 > 21 *22 O 0.17557828142965 0.92272282379811 0.50708027651645 15.999 > 22 23 O 0.64790501722270 0.81871246684984 0.72997758467910 15.999 > 23 24 O 0.82442171857035 0.07727717620189 0.49291972348356 15.999 > 24 25 O 0.35209498277730 0.18128753315016 0.27002241532090 15.999 > 25 26 O 0.17557828142965 0.57727717620189 0.00708027651645 15.999 > 26 27 O 0.35209498277730 0.31871246684984 0.77002241532090 15.999 > 27 28 O 0.82442171857035 0.42272282379811 0.99291972348355 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.535500040044631 0.000000000000000 0.000000000000000 b 0.000000000000000 14.060177980000001 0.000000000000000 c -6.119196216022270 0.000000000000000 9.724179927891933 Atomic positions (fractional): *1 Sr 0.17384346347550 0.31036542567782 0.62577540820283 87.620 > 1 2 Sr 0.67384346347550 0.31036542567782 0.62577540820283 87.620 > 1 3 Sr 0.17384346347550 0.81036542567782 0.62577540820283 87.620 > 1 4 Sr 0.67384346347550 0.81036542567782 0.62577540820283 87.620 > 1 5 Sr 0.32615653652450 0.18963457432218 0.37422459179717 87.620 > 2 6 Sr 0.82615653652450 0.18963457432218 0.37422459179717 87.620 > 2 7 Sr 0.32615653652450 0.68963457432218 0.37422459179717 87.620 > 2 8 Sr 0.82615653652450 0.68963457432218 0.37422459179717 87.620 > 2 9 Sr 0.17384346347550 0.43963457432218 0.12577540820283 87.620 > 3 10 Sr 0.67384346347550 0.43963457432218 0.12577540820283 87.620 > 3 11 Sr 0.17384346347550 0.93963457432218 0.12577540820283 87.620 > 3 12 Sr 0.67384346347550 0.93963457432218 0.12577540820283 87.620 > 3 13 Sr 0.32615653652450 0.06036542567782 0.87422459179717 87.620 > 4 14 Sr 0.82615653652450 0.06036542567782 0.87422459179717 87.620 > 4 15 Sr 0.32615653652450 0.56036542567782 0.87422459179717 87.620 > 4 16 Sr 0.82615653652450 0.56036542567782 0.87422459179717 87.620 > 4 *17 Hg 0.05210504087467 0.16478229819156 0.13158493346201 200.590 > 5 18 Hg 0.55210504087467 0.16478229819156 0.13158493346201 200.590 > 5 19 Hg 0.05210504087467 0.66478229819156 0.13158493346201 200.590 > 5 20 Hg 0.55210504087467 0.66478229819156 0.13158493346201 200.590 > 5 *21 Hg 0.13502341148988 0.03218178542187 0.39700421905982 200.590 > 6 22 Hg 0.63502341148988 0.03218178542187 0.39700421905982 200.590 > 6 23 Hg 0.13502341148988 0.53218178542187 0.39700421905982 200.590 > 6 24 Hg 0.63502341148988 0.53218178542187 0.39700421905982 200.590 > 6 25 Hg 0.36497658851012 0.28218178542187 0.10299578094018 200.590 > 7 26 Hg 0.86497658851012 0.28218178542187 0.10299578094018 200.590 > 7 27 Hg 0.36497658851012 0.78218178542187 0.10299578094018 200.590 > 7 28 Hg 0.86497658851012 0.78218178542187 0.10299578094018 200.590 > 7 29 Hg 0.05210504087467 0.08521770180844 0.63158493346201 200.590 > 8 30 Hg 0.55210504087467 0.08521770180844 0.63158493346201 200.590 > 8 31 Hg 0.05210504087467 0.58521770180844 0.63158493346201 200.590 > 8 32 Hg 0.55210504087467 0.58521770180844 0.63158493346201 200.590 > 8 33 Hg 0.44789495912533 0.33521770180844 0.86841506653799 200.590 > 9 34 Hg 0.94789495912533 0.33521770180844 0.86841506653799 200.590 > 9 35 Hg 0.44789495912533 0.83521770180844 0.86841506653799 200.590 > 9 36 Hg 0.94789495912533 0.83521770180844 0.86841506653799 200.590 > 9 37 Hg 0.44789495912533 0.41478229819156 0.36841506653799 200.590 > 10 38 Hg 0.94789495912533 0.41478229819156 0.36841506653799 200.590 > 10 39 Hg 0.44789495912533 0.91478229819156 0.36841506653799 200.590 > 10 40 Hg 0.94789495912533 0.91478229819156 0.36841506653799 200.590 > 10 41 Hg 0.36497658851012 0.46781821457813 0.60299578094018 200.590 > 11 42 Hg 0.86497658851012 0.46781821457813 0.60299578094018 200.590 > 11 43 Hg 0.36497658851012 0.96781821457813 0.60299578094018 200.590 > 11 44 Hg 0.86497658851012 0.96781821457813 0.60299578094018 200.590 > 11 45 Hg 0.13502341148988 0.21781821457813 0.89700421905982 200.590 > 12 46 Hg 0.63502341148988 0.21781821457813 0.89700421905982 200.590 > 12 47 Hg 0.13502341148988 0.71781821457813 0.89700421905982 200.590 > 12 48 Hg 0.63502341148988 0.71781821457813 0.89700421905982 200.590 > 12 *49 Cl 0.02112214905051 0.19922245365648 0.38377179301762 35.453 > 13 50 Cl 0.52112214905051 0.19922245365648 0.38377179301762 35.453 > 13 51 Cl 0.02112214905051 0.69922245365648 0.38377179301762 35.453 > 13 52 Cl 0.52112214905051 0.69922245365648 0.38377179301762 35.453 > 13 *53 Cl 0.20517194925465 0.40959193259343 0.87640431942538 35.453 > 14 54 Cl 0.70517194925465 0.40959193259343 0.87640431942538 35.453 > 14 55 Cl 0.20517194925465 0.90959193259343 0.87640431942538 35.453 > 14 56 Cl 0.70517194925465 0.90959193259343 0.87640431942538 35.453 > 14 57 Cl 0.47887785094949 0.30077754634352 0.61622820698238 35.453 > 15 58 Cl 0.97887785094949 0.30077754634352 0.61622820698238 35.453 > 15 59 Cl 0.47887785094949 0.80077754634352 0.61622820698238 35.453 > 15 60 Cl 0.97887785094949 0.80077754634352 0.61622820698238 35.453 > 15 61 Cl 0.47887785094949 0.44922245365648 0.11622820698238 35.453 > 16 62 Cl 0.97887785094949 0.44922245365648 0.11622820698238 35.453 > 16 63 Cl 0.47887785094949 0.94922245365648 0.11622820698238 35.453 > 16 64 Cl 0.97887785094949 0.94922245365648 0.11622820698238 35.453 > 16 65 Cl 0.02112214905051 0.05077754634352 0.88377179301762 35.453 > 17 66 Cl 0.52112214905051 0.05077754634352 0.88377179301762 35.453 > 17 67 Cl 0.02112214905051 0.55077754634352 0.88377179301762 35.453 > 17 68 Cl 0.52112214905051 0.55077754634352 0.88377179301762 35.453 > 17 69 Cl 0.29482805074535 0.15959193259343 0.62359568057462 35.453 > 18 70 Cl 0.79482805074535 0.15959193259343 0.62359568057462 35.453 > 18 71 Cl 0.29482805074535 0.65959193259343 0.62359568057462 35.453 > 18 72 Cl 0.79482805074535 0.65959193259343 0.62359568057462 35.453 > 18 73 Cl 0.29482805074535 0.09040806740657 0.12359568057462 35.453 > 19 74 Cl 0.79482805074535 0.09040806740657 0.12359568057462 35.453 > 19 75 Cl 0.29482805074535 0.59040806740657 0.12359568057462 35.453 > 19 76 Cl 0.79482805074535 0.59040806740657 0.12359568057462 35.453 > 19 77 Cl 0.20517194925465 0.34040806740657 0.37640431942538 35.453 > 20 78 Cl 0.70517194925465 0.34040806740657 0.37640431942538 35.453 > 20 79 Cl 0.20517194925465 0.84040806740657 0.37640431942538 35.453 > 20 80 Cl 0.70517194925465 0.84040806740657 0.37640431942538 35.453 > 20 *81 O 0.32395250861135 0.34064376657508 0.22997758467910 15.999 > 21 82 O 0.82395250861135 0.34064376657508 0.22997758467910 15.999 > 21 83 O 0.32395250861135 0.84064376657508 0.22997758467910 15.999 > 21 84 O 0.82395250861135 0.84064376657508 0.22997758467910 15.999 > 21 *85 O 0.08778914071482 0.46136141189905 0.50708027651645 15.999 > 22 86 O 0.58778914071482 0.46136141189905 0.50708027651645 15.999 > 22 87 O 0.08778914071482 0.96136141189905 0.50708027651645 15.999 > 22 88 O 0.58778914071482 0.96136141189905 0.50708027651645 15.999 > 22 89 O 0.32395250861135 0.40935623342492 0.72997758467910 15.999 > 23 90 O 0.82395250861135 0.40935623342492 0.72997758467910 15.999 > 23 91 O 0.32395250861135 0.90935623342492 0.72997758467910 15.999 > 23 92 O 0.82395250861135 0.90935623342492 0.72997758467910 15.999 > 23 93 O 0.41221085928518 0.03863858810095 0.49291972348356 15.999 > 24 94 O 0.91221085928518 0.03863858810095 0.49291972348356 15.999 > 24 95 O 0.41221085928518 0.53863858810095 0.49291972348356 15.999 > 24 96 O 0.91221085928518 0.53863858810095 0.49291972348356 15.999 > 24 97 O 0.17604749138865 0.09064376657508 0.27002241532090 15.999 > 25 98 O 0.67604749138865 0.09064376657508 0.27002241532090 15.999 > 25 99 O 0.17604749138865 0.59064376657508 0.27002241532090 15.999 > 25 100 O 0.67604749138865 0.59064376657508 0.27002241532090 15.999 > 25 101 O 0.08778914071482 0.28863858810095 0.00708027651645 15.999 > 26 102 O 0.58778914071482 0.28863858810095 0.00708027651645 15.999 > 26 103 O 0.08778914071482 0.78863858810095 0.00708027651645 15.999 > 26 104 O 0.58778914071482 0.78863858810095 0.00708027651645 15.999 > 26 105 O 0.17604749138865 0.15935623342492 0.77002241532090 15.999 > 27 106 O 0.67604749138865 0.15935623342492 0.77002241532090 15.999 > 27 107 O 0.17604749138865 0.65935623342492 0.77002241532090 15.999 > 27 108 O 0.67604749138865 0.65935623342492 0.77002241532090 15.999 > 27 109 O 0.41221085928518 0.21136141189905 0.99291972348355 15.999 > 28 110 O 0.91221085928518 0.21136141189905 0.99291972348355 15.999 > 28 111 O 0.41221085928518 0.71136141189905 0.99291972348355 15.999 > 28 112 O 0.91221085928518 0.71136141189905 0.99291972348355 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5019883 0.0000000 -0.1630953 0.0000000 4.5331751 0.0000000 -0.1630930 0.0000000 4.5785978 -------------------------- Born effective charges -------------------------- 1 Sr 2.7745118 0.3481760 0.0655304 -0.0292513 2.6661166 -0.1506661 0.0680456 -0.0410001 2.4722666 2 Sr 2.7745118 0.3481760 0.0655304 -0.0292513 2.6661166 -0.1506661 0.0680456 -0.0410001 2.4722666 3 Sr 2.7745118 -0.3481760 0.0655304 0.0292513 2.6661166 0.1506661 0.0680456 0.0410001 2.4722666 4 Sr 2.7745118 -0.3481760 0.0655304 0.0292513 2.6661166 0.1506661 0.0680456 0.0410001 2.4722666 5 Hg 1.9254723 0.0231427 0.0677849 -0.3982630 1.9520896 -0.5401724 0.0657993 -0.5052721 2.2809137 6 Hg 2.0414840 0.2362443 -0.4408487 0.3521209 2.1699664 -0.2339552 -0.4865079 -0.1745506 1.9533866 7 Hg 2.0414840 -0.2362443 -0.4408487 -0.3521209 2.1699664 0.2339552 -0.4865079 0.1745506 1.9533866 8 Hg 1.9254723 -0.0231427 0.0677849 0.3982630 1.9520896 0.5401724 0.0657993 0.5052721 2.2809137 9 Hg 1.9254723 0.0231427 0.0677849 -0.3982630 1.9520896 -0.5401724 0.0657993 -0.5052721 2.2809137 10 Hg 1.9254723 -0.0231427 0.0677849 0.3982630 1.9520896 0.5401724 0.0657993 0.5052721 2.2809137 11 Hg 2.0414840 0.2362443 -0.4408487 0.3521209 2.1699664 -0.2339552 -0.4865079 -0.1745506 1.9533866 12 Hg 2.0414840 -0.2362443 -0.4408487 -0.3521209 2.1699664 0.2339552 -0.4865079 0.1745506 1.9533866 13 Cl -1.3881738 0.1472201 0.1624674 0.2587450 -1.5649740 0.1636894 0.1227224 0.1194538 -1.6695993 14 Cl -1.3594190 -0.2055414 0.0826877 -0.2099827 -1.6239021 0.0865328 0.0677641 0.0671125 -1.4559464 15 Cl -1.3881738 0.1472201 0.1624674 0.2587450 -1.5649740 0.1636894 0.1227224 0.1194538 -1.6695993 16 Cl -1.3881738 -0.1472201 0.1624674 -0.2587450 -1.5649740 -0.1636894 0.1227224 -0.1194538 -1.6695993 17 Cl -1.3881738 -0.1472201 0.1624674 -0.2587450 -1.5649740 -0.1636894 0.1227224 -0.1194538 -1.6695993 18 Cl -1.3594190 0.2055414 0.0826877 0.2099827 -1.6239021 -0.0865328 0.0677641 -0.0671125 -1.4559464 19 Cl -1.3594190 -0.2055414 0.0826877 -0.2099827 -1.6239021 0.0865328 0.0677641 0.0671125 -1.4559464 20 Cl -1.3594190 0.2055414 0.0826877 0.2099827 -1.6239021 -0.0865328 0.0677641 -0.0671125 -1.4559464 21 O -1.8034891 0.1925344 -0.0322360 0.0761333 -1.7219185 -0.2907838 -0.0983050 -0.3604453 -1.9945192 22 O -2.1903862 -0.1356757 0.0946142 -0.2802655 -1.8773781 -0.0010348 0.2604816 0.0574337 -1.5865021 23 O -1.8034891 -0.1925344 -0.0322360 -0.0761333 -1.7219185 0.2907838 -0.0983050 0.3604453 -1.9945192 24 O -2.1903862 -0.1356757 0.0946142 -0.2802655 -1.8773781 -0.0010348 0.2604816 0.0574337 -1.5865021 25 O -1.8034891 -0.1925344 -0.0322360 -0.0761333 -1.7219185 0.2907838 -0.0983050 0.3604453 -1.9945192 26 O -2.1903862 0.1356757 0.0946142 0.2802655 -1.8773781 0.0010348 0.2604816 -0.0574337 -1.5865021 27 O -1.8034891 0.1925344 -0.0322360 0.0761333 -1.7219185 -0.2907838 -0.0983050 -0.3604453 -1.9945192 28 O -2.1903862 0.1356757 0.0946142 0.2802655 -1.8773781 0.0010348 0.2604816 -0.0574337 -1.5865021 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.521 Solver_block: 200 / 880 - Time: 1.404 Solver_block: 300 / 880 - Time: 1.114 Solver_block: 400 / 880 - Time: 1.203 Solver_block: 500 / 880 - Time: 1.246 Solver_block: 600 / 880 - Time: 1.112 Solver_block: 700 / 880 - Time: 1.234 Solver_block: 800 / 880 - Time: 1.283 Solver_block: 880 / 880 - Time: 0.958 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.795 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:04:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:04:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.267750020022316 0.000000000000000 0.000000000000000 b 0.000000000000000 7.030088990000000 0.000000000000000 c -6.119196216022270 0.000000000000000 9.724179927891933 Atomic positions (fractional): 1 Sr 0.34768692695100 0.62073085135563 0.62577540820283 87.620 2 Sr 0.65231307304900 0.37926914864437 0.37422459179717 87.620 3 Sr 0.34768692695100 0.87926914864437 0.12577540820283 87.620 4 Sr 0.65231307304900 0.12073085135563 0.87422459179717 87.620 5 Hg 0.10421008174934 0.32956459638311 0.13158493346201 200.590 6 Hg 0.27004682297976 0.06436357084375 0.39700421905982 200.590 7 Hg 0.72995317702024 0.56436357084375 0.10299578094018 200.590 8 Hg 0.10421008174934 0.17043540361689 0.63158493346201 200.590 9 Hg 0.89578991825066 0.67043540361689 0.86841506653799 200.590 10 Hg 0.89578991825066 0.82956459638311 0.36841506653799 200.590 11 Hg 0.72995317702024 0.93563642915625 0.60299578094018 200.590 12 Hg 0.27004682297976 0.43563642915625 0.89700421905982 200.590 13 Cl 0.04224429810102 0.39844490731297 0.38377179301762 35.453 14 Cl 0.41034389850930 0.81918386518686 0.87640431942538 35.453 15 Cl 0.95775570189898 0.60155509268703 0.61622820698238 35.453 16 Cl 0.95775570189898 0.89844490731297 0.11622820698238 35.453 17 Cl 0.04224429810102 0.10155509268703 0.88377179301762 35.453 18 Cl 0.58965610149070 0.31918386518686 0.62359568057462 35.453 19 Cl 0.58965610149070 0.18081613481314 0.12359568057462 35.453 20 Cl 0.41034389850930 0.68081613481314 0.37640431942538 35.453 21 O 0.64790501722270 0.68128753315016 0.22997758467910 15.999 22 O 0.17557828142965 0.92272282379811 0.50708027651645 15.999 23 O 0.64790501722270 0.81871246684984 0.72997758467910 15.999 24 O 0.82442171857035 0.07727717620189 0.49291972348356 15.999 25 O 0.35209498277730 0.18128753315016 0.27002241532090 15.999 26 O 0.17557828142965 0.57727717620189 0.00708027651645 15.999 27 O 0.35209498277730 0.31871246684984 0.77002241532090 15.999 28 O 0.82442171857035 0.42272282379811 0.99291972348355 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.535500040044631 0.000000000000000 0.000000000000000 b 0.000000000000000 14.060177980000001 0.000000000000000 c -6.119196216022270 0.000000000000000 9.724179927891933 Atomic positions (fractional): 1 Sr 0.17384346347550 0.31036542567782 0.62577540820283 87.620 > 1 2 Sr 0.67384346347550 0.31036542567782 0.62577540820283 87.620 > 1 3 Sr 0.17384346347550 0.81036542567782 0.62577540820283 87.620 > 1 4 Sr 0.67384346347550 0.81036542567782 0.62577540820283 87.620 > 1 5 Sr 0.32615653652450 0.18963457432218 0.37422459179717 87.620 > 5 6 Sr 0.82615653652450 0.18963457432218 0.37422459179717 87.620 > 5 7 Sr 0.32615653652450 0.68963457432218 0.37422459179717 87.620 > 5 8 Sr 0.82615653652450 0.68963457432218 0.37422459179717 87.620 > 5 9 Sr 0.17384346347550 0.43963457432218 0.12577540820283 87.620 > 9 10 Sr 0.67384346347550 0.43963457432218 0.12577540820283 87.620 > 9 11 Sr 0.17384346347550 0.93963457432218 0.12577540820283 87.620 > 9 12 Sr 0.67384346347550 0.93963457432218 0.12577540820283 87.620 > 9 13 Sr 0.32615653652450 0.06036542567782 0.87422459179717 87.620 > 13 14 Sr 0.82615653652450 0.06036542567782 0.87422459179717 87.620 > 13 15 Sr 0.32615653652450 0.56036542567782 0.87422459179717 87.620 > 13 16 Sr 0.82615653652450 0.56036542567782 0.87422459179717 87.620 > 13 17 Hg 0.05210504087467 0.16478229819156 0.13158493346201 200.590 > 17 18 Hg 0.55210504087467 0.16478229819156 0.13158493346201 200.590 > 17 19 Hg 0.05210504087467 0.66478229819156 0.13158493346201 200.590 > 17 20 Hg 0.55210504087467 0.66478229819156 0.13158493346201 200.590 > 17 21 Hg 0.13502341148988 0.03218178542187 0.39700421905982 200.590 > 21 22 Hg 0.63502341148988 0.03218178542187 0.39700421905982 200.590 > 21 23 Hg 0.13502341148988 0.53218178542187 0.39700421905982 200.590 > 21 24 Hg 0.63502341148988 0.53218178542187 0.39700421905982 200.590 > 21 25 Hg 0.36497658851012 0.28218178542187 0.10299578094018 200.590 > 25 26 Hg 0.86497658851012 0.28218178542187 0.10299578094018 200.590 > 25 27 Hg 0.36497658851012 0.78218178542187 0.10299578094018 200.590 > 25 28 Hg 0.86497658851012 0.78218178542187 0.10299578094018 200.590 > 25 29 Hg 0.05210504087467 0.08521770180844 0.63158493346201 200.590 > 29 30 Hg 0.55210504087467 0.08521770180844 0.63158493346201 200.590 > 29 31 Hg 0.05210504087467 0.58521770180844 0.63158493346201 200.590 > 29 32 Hg 0.55210504087467 0.58521770180844 0.63158493346201 200.590 > 29 33 Hg 0.44789495912533 0.33521770180844 0.86841506653799 200.590 > 33 34 Hg 0.94789495912533 0.33521770180844 0.86841506653799 200.590 > 33 35 Hg 0.44789495912533 0.83521770180844 0.86841506653799 200.590 > 33 36 Hg 0.94789495912533 0.83521770180844 0.86841506653799 200.590 > 33 37 Hg 0.44789495912533 0.41478229819156 0.36841506653799 200.590 > 37 38 Hg 0.94789495912533 0.41478229819156 0.36841506653799 200.590 > 37 39 Hg 0.44789495912533 0.91478229819156 0.36841506653799 200.590 > 37 40 Hg 0.94789495912533 0.91478229819156 0.36841506653799 200.590 > 37 41 Hg 0.36497658851012 0.46781821457813 0.60299578094018 200.590 > 41 42 Hg 0.86497658851012 0.46781821457813 0.60299578094018 200.590 > 41 43 Hg 0.36497658851012 0.96781821457813 0.60299578094018 200.590 > 41 44 Hg 0.86497658851012 0.96781821457813 0.60299578094018 200.590 > 41 45 Hg 0.13502341148988 0.21781821457813 0.89700421905982 200.590 > 45 46 Hg 0.63502341148988 0.21781821457813 0.89700421905982 200.590 > 45 47 Hg 0.13502341148988 0.71781821457813 0.89700421905982 200.590 > 45 48 Hg 0.63502341148988 0.71781821457813 0.89700421905982 200.590 > 45 49 Cl 0.02112214905051 0.19922245365648 0.38377179301762 35.453 > 49 50 Cl 0.52112214905051 0.19922245365648 0.38377179301762 35.453 > 49 51 Cl 0.02112214905051 0.69922245365648 0.38377179301762 35.453 > 49 52 Cl 0.52112214905051 0.69922245365648 0.38377179301762 35.453 > 49 53 Cl 0.20517194925465 0.40959193259343 0.87640431942538 35.453 > 53 54 Cl 0.70517194925465 0.40959193259343 0.87640431942538 35.453 > 53 55 Cl 0.20517194925465 0.90959193259343 0.87640431942538 35.453 > 53 56 Cl 0.70517194925465 0.90959193259343 0.87640431942538 35.453 > 53 57 Cl 0.47887785094949 0.30077754634352 0.61622820698238 35.453 > 57 58 Cl 0.97887785094949 0.30077754634352 0.61622820698238 35.453 > 57 59 Cl 0.47887785094949 0.80077754634352 0.61622820698238 35.453 > 57 60 Cl 0.97887785094949 0.80077754634352 0.61622820698238 35.453 > 57 61 Cl 0.47887785094949 0.44922245365648 0.11622820698238 35.453 > 61 62 Cl 0.97887785094949 0.44922245365648 0.11622820698238 35.453 > 61 63 Cl 0.47887785094949 0.94922245365648 0.11622820698238 35.453 > 61 64 Cl 0.97887785094949 0.94922245365648 0.11622820698238 35.453 > 61 65 Cl 0.02112214905051 0.05077754634352 0.88377179301762 35.453 > 65 66 Cl 0.52112214905051 0.05077754634352 0.88377179301762 35.453 > 65 67 Cl 0.02112214905051 0.55077754634352 0.88377179301762 35.453 > 65 68 Cl 0.52112214905051 0.55077754634352 0.88377179301762 35.453 > 65 69 Cl 0.29482805074535 0.15959193259343 0.62359568057462 35.453 > 69 70 Cl 0.79482805074535 0.15959193259343 0.62359568057462 35.453 > 69 71 Cl 0.29482805074535 0.65959193259343 0.62359568057462 35.453 > 69 72 Cl 0.79482805074535 0.65959193259343 0.62359568057462 35.453 > 69 73 Cl 0.29482805074535 0.09040806740657 0.12359568057462 35.453 > 73 74 Cl 0.79482805074535 0.09040806740657 0.12359568057462 35.453 > 73 75 Cl 0.29482805074535 0.59040806740657 0.12359568057462 35.453 > 73 76 Cl 0.79482805074535 0.59040806740657 0.12359568057462 35.453 > 73 77 Cl 0.20517194925465 0.34040806740657 0.37640431942538 35.453 > 77 78 Cl 0.70517194925465 0.34040806740657 0.37640431942538 35.453 > 77 79 Cl 0.20517194925465 0.84040806740657 0.37640431942538 35.453 > 77 80 Cl 0.70517194925465 0.84040806740657 0.37640431942538 35.453 > 77 81 O 0.32395250861135 0.34064376657508 0.22997758467910 15.999 > 81 82 O 0.82395250861135 0.34064376657508 0.22997758467910 15.999 > 81 83 O 0.32395250861135 0.84064376657508 0.22997758467910 15.999 > 81 84 O 0.82395250861135 0.84064376657508 0.22997758467910 15.999 > 81 85 O 0.08778914071482 0.46136141189905 0.50708027651645 15.999 > 85 86 O 0.58778914071482 0.46136141189905 0.50708027651645 15.999 > 85 87 O 0.08778914071482 0.96136141189905 0.50708027651645 15.999 > 85 88 O 0.58778914071482 0.96136141189905 0.50708027651645 15.999 > 85 89 O 0.32395250861135 0.40935623342492 0.72997758467910 15.999 > 89 90 O 0.82395250861135 0.40935623342492 0.72997758467910 15.999 > 89 91 O 0.32395250861135 0.90935623342492 0.72997758467910 15.999 > 89 92 O 0.82395250861135 0.90935623342492 0.72997758467910 15.999 > 89 93 O 0.41221085928518 0.03863858810095 0.49291972348356 15.999 > 93 94 O 0.91221085928518 0.03863858810095 0.49291972348356 15.999 > 93 95 O 0.41221085928518 0.53863858810095 0.49291972348356 15.999 > 93 96 O 0.91221085928518 0.53863858810095 0.49291972348356 15.999 > 93 97 O 0.17604749138865 0.09064376657508 0.27002241532090 15.999 > 97 98 O 0.67604749138865 0.09064376657508 0.27002241532090 15.999 > 97 99 O 0.17604749138865 0.59064376657508 0.27002241532090 15.999 > 97 100 O 0.67604749138865 0.59064376657508 0.27002241532090 15.999 > 97 101 O 0.08778914071482 0.28863858810095 0.00708027651645 15.999 > 101 102 O 0.58778914071482 0.28863858810095 0.00708027651645 15.999 > 101 103 O 0.08778914071482 0.78863858810095 0.00708027651645 15.999 > 101 104 O 0.58778914071482 0.78863858810095 0.00708027651645 15.999 > 101 105 O 0.17604749138865 0.15935623342492 0.77002241532090 15.999 > 105 106 O 0.67604749138865 0.15935623342492 0.77002241532090 15.999 > 105 107 O 0.17604749138865 0.65935623342492 0.77002241532090 15.999 > 105 108 O 0.67604749138865 0.65935623342492 0.77002241532090 15.999 > 105 109 O 0.41221085928518 0.21136141189905 0.99291972348355 15.999 > 109 110 O 0.91221085928518 0.21136141189905 0.99291972348355 15.999 > 109 111 O 0.41221085928518 0.71136141189905 0.99291972348355 15.999 > 109 112 O 0.91221085928518 0.71136141189905 0.99291972348355 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5019883 0.0000000 -0.1630953 0.0000000 4.5331751 0.0000000 -0.1630930 0.0000000 4.5785978 -------------------------- Born effective charges -------------------------- 1 Sr 2.7745118 0.3481760 0.0655304 -0.0292513 2.6661166 -0.1506661 0.0680456 -0.0410001 2.4722666 2 Sr 2.7745118 0.3481760 0.0655304 -0.0292513 2.6661166 -0.1506661 0.0680456 -0.0410001 2.4722666 3 Sr 2.7745118 -0.3481760 0.0655304 0.0292513 2.6661166 0.1506661 0.0680456 0.0410001 2.4722666 4 Sr 2.7745118 -0.3481760 0.0655304 0.0292513 2.6661166 0.1506661 0.0680456 0.0410001 2.4722666 5 Hg 1.9254723 0.0231427 0.0677849 -0.3982630 1.9520896 -0.5401724 0.0657993 -0.5052721 2.2809137 6 Hg 2.0414840 0.2362443 -0.4408487 0.3521209 2.1699664 -0.2339552 -0.4865079 -0.1745506 1.9533866 7 Hg 2.0414840 -0.2362443 -0.4408487 -0.3521209 2.1699664 0.2339552 -0.4865079 0.1745506 1.9533866 8 Hg 1.9254723 -0.0231427 0.0677849 0.3982630 1.9520896 0.5401724 0.0657993 0.5052721 2.2809137 9 Hg 1.9254723 0.0231427 0.0677849 -0.3982630 1.9520896 -0.5401724 0.0657993 -0.5052721 2.2809137 10 Hg 1.9254723 -0.0231427 0.0677849 0.3982630 1.9520896 0.5401724 0.0657993 0.5052721 2.2809137 11 Hg 2.0414840 0.2362443 -0.4408487 0.3521209 2.1699664 -0.2339552 -0.4865079 -0.1745506 1.9533866 12 Hg 2.0414840 -0.2362443 -0.4408487 -0.3521209 2.1699664 0.2339552 -0.4865079 0.1745506 1.9533866 13 Cl -1.3881738 0.1472201 0.1624674 0.2587450 -1.5649740 0.1636894 0.1227224 0.1194538 -1.6695993 14 Cl -1.3594190 -0.2055414 0.0826877 -0.2099827 -1.6239021 0.0865328 0.0677641 0.0671125 -1.4559464 15 Cl -1.3881738 0.1472201 0.1624674 0.2587450 -1.5649740 0.1636894 0.1227224 0.1194538 -1.6695993 16 Cl -1.3881738 -0.1472201 0.1624674 -0.2587450 -1.5649740 -0.1636894 0.1227224 -0.1194538 -1.6695993 17 Cl -1.3881738 -0.1472201 0.1624674 -0.2587450 -1.5649740 -0.1636894 0.1227224 -0.1194538 -1.6695993 18 Cl -1.3594190 0.2055414 0.0826877 0.2099827 -1.6239021 -0.0865328 0.0677641 -0.0671125 -1.4559464 19 Cl -1.3594190 -0.2055414 0.0826877 -0.2099827 -1.6239021 0.0865328 0.0677641 0.0671125 -1.4559464 20 Cl -1.3594190 0.2055414 0.0826877 0.2099827 -1.6239021 -0.0865328 0.0677641 -0.0671125 -1.4559464 21 O -1.8034891 0.1925344 -0.0322360 0.0761333 -1.7219185 -0.2907838 -0.0983050 -0.3604453 -1.9945192 22 O -2.1903862 -0.1356757 0.0946142 -0.2802655 -1.8773781 -0.0010348 0.2604816 0.0574337 -1.5865021 23 O -1.8034891 -0.1925344 -0.0322360 -0.0761333 -1.7219185 0.2907838 -0.0983050 0.3604453 -1.9945192 24 O -2.1903862 -0.1356757 0.0946142 -0.2802655 -1.8773781 -0.0010348 0.2604816 0.0574337 -1.5865021 25 O -1.8034891 -0.1925344 -0.0322360 -0.0761333 -1.7219185 0.2907838 -0.0983050 0.3604453 -1.9945192 26 O -2.1903862 0.1356757 0.0946142 0.2802655 -1.8773781 0.0010348 0.2604816 -0.0574337 -1.5865021 27 O -1.8034891 0.1925344 -0.0322360 0.0761333 -1.7219185 -0.2907838 -0.0983050 -0.3604453 -1.9945192 28 O -2.1903862 0.1356757 0.0946142 0.2802655 -1.8773781 0.0010348 0.2604816 -0.0574337 -1.5865021 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 21, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 85, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:05:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:05:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.267750020022316 0.000000000000000 0.000000000000000 b 0.000000000000000 7.030088990000000 0.000000000000000 c -6.119196216022270 0.000000000000000 9.724179927891933 Atomic positions (fractional): 1 Sr 0.34768692695100 0.62073085135563 0.62577540820283 87.620 2 Sr 0.65231307304900 0.37926914864437 0.37422459179717 87.620 3 Sr 0.34768692695100 0.87926914864437 0.12577540820283 87.620 4 Sr 0.65231307304900 0.12073085135563 0.87422459179717 87.620 5 Hg 0.10421008174934 0.32956459638311 0.13158493346201 200.590 6 Hg 0.27004682297976 0.06436357084375 0.39700421905982 200.590 7 Hg 0.72995317702024 0.56436357084375 0.10299578094018 200.590 8 Hg 0.10421008174934 0.17043540361689 0.63158493346201 200.590 9 Hg 0.89578991825066 0.67043540361689 0.86841506653799 200.590 10 Hg 0.89578991825066 0.82956459638311 0.36841506653799 200.590 11 Hg 0.72995317702024 0.93563642915625 0.60299578094018 200.590 12 Hg 0.27004682297976 0.43563642915625 0.89700421905982 200.590 13 Cl 0.04224429810102 0.39844490731297 0.38377179301762 35.453 14 Cl 0.41034389850930 0.81918386518686 0.87640431942538 35.453 15 Cl 0.95775570189898 0.60155509268703 0.61622820698238 35.453 16 Cl 0.95775570189898 0.89844490731297 0.11622820698238 35.453 17 Cl 0.04224429810102 0.10155509268703 0.88377179301762 35.453 18 Cl 0.58965610149070 0.31918386518686 0.62359568057462 35.453 19 Cl 0.58965610149070 0.18081613481314 0.12359568057462 35.453 20 Cl 0.41034389850930 0.68081613481314 0.37640431942538 35.453 21 O 0.64790501722270 0.68128753315016 0.22997758467910 15.999 22 O 0.17557828142965 0.92272282379811 0.50708027651645 15.999 23 O 0.64790501722270 0.81871246684984 0.72997758467910 15.999 24 O 0.82442171857035 0.07727717620189 0.49291972348356 15.999 25 O 0.35209498277730 0.18128753315016 0.27002241532090 15.999 26 O 0.17557828142965 0.57727717620189 0.00708027651645 15.999 27 O 0.35209498277730 0.31871246684984 0.77002241532090 15.999 28 O 0.82442171857035 0.42272282379811 0.99291972348355 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.535500040044631 0.000000000000000 0.000000000000000 b 0.000000000000000 14.060177980000001 0.000000000000000 c -6.119196216022270 0.000000000000000 9.724179927891933 Atomic positions (fractional): 1 Sr 0.17384346347550 0.31036542567782 0.62577540820283 87.620 > 1 2 Sr 0.67384346347550 0.31036542567782 0.62577540820283 87.620 > 1 3 Sr 0.17384346347550 0.81036542567782 0.62577540820283 87.620 > 1 4 Sr 0.67384346347550 0.81036542567782 0.62577540820283 87.620 > 1 5 Sr 0.32615653652450 0.18963457432218 0.37422459179717 87.620 > 5 6 Sr 0.82615653652450 0.18963457432218 0.37422459179717 87.620 > 5 7 Sr 0.32615653652450 0.68963457432218 0.37422459179717 87.620 > 5 8 Sr 0.82615653652450 0.68963457432218 0.37422459179717 87.620 > 5 9 Sr 0.17384346347550 0.43963457432218 0.12577540820283 87.620 > 9 10 Sr 0.67384346347550 0.43963457432218 0.12577540820283 87.620 > 9 11 Sr 0.17384346347550 0.93963457432218 0.12577540820283 87.620 > 9 12 Sr 0.67384346347550 0.93963457432218 0.12577540820283 87.620 > 9 13 Sr 0.32615653652450 0.06036542567782 0.87422459179717 87.620 > 13 14 Sr 0.82615653652450 0.06036542567782 0.87422459179717 87.620 > 13 15 Sr 0.32615653652450 0.56036542567782 0.87422459179717 87.620 > 13 16 Sr 0.82615653652450 0.56036542567782 0.87422459179717 87.620 > 13 17 Hg 0.05210504087467 0.16478229819156 0.13158493346201 200.590 > 17 18 Hg 0.55210504087467 0.16478229819156 0.13158493346201 200.590 > 17 19 Hg 0.05210504087467 0.66478229819156 0.13158493346201 200.590 > 17 20 Hg 0.55210504087467 0.66478229819156 0.13158493346201 200.590 > 17 21 Hg 0.13502341148988 0.03218178542187 0.39700421905982 200.590 > 21 22 Hg 0.63502341148988 0.03218178542187 0.39700421905982 200.590 > 21 23 Hg 0.13502341148988 0.53218178542187 0.39700421905982 200.590 > 21 24 Hg 0.63502341148988 0.53218178542187 0.39700421905982 200.590 > 21 25 Hg 0.36497658851012 0.28218178542187 0.10299578094018 200.590 > 25 26 Hg 0.86497658851012 0.28218178542187 0.10299578094018 200.590 > 25 27 Hg 0.36497658851012 0.78218178542187 0.10299578094018 200.590 > 25 28 Hg 0.86497658851012 0.78218178542187 0.10299578094018 200.590 > 25 29 Hg 0.05210504087467 0.08521770180844 0.63158493346201 200.590 > 29 30 Hg 0.55210504087467 0.08521770180844 0.63158493346201 200.590 > 29 31 Hg 0.05210504087467 0.58521770180844 0.63158493346201 200.590 > 29 32 Hg 0.55210504087467 0.58521770180844 0.63158493346201 200.590 > 29 33 Hg 0.44789495912533 0.33521770180844 0.86841506653799 200.590 > 33 34 Hg 0.94789495912533 0.33521770180844 0.86841506653799 200.590 > 33 35 Hg 0.44789495912533 0.83521770180844 0.86841506653799 200.590 > 33 36 Hg 0.94789495912533 0.83521770180844 0.86841506653799 200.590 > 33 37 Hg 0.44789495912533 0.41478229819156 0.36841506653799 200.590 > 37 38 Hg 0.94789495912533 0.41478229819156 0.36841506653799 200.590 > 37 39 Hg 0.44789495912533 0.91478229819156 0.36841506653799 200.590 > 37 40 Hg 0.94789495912533 0.91478229819156 0.36841506653799 200.590 > 37 41 Hg 0.36497658851012 0.46781821457813 0.60299578094018 200.590 > 41 42 Hg 0.86497658851012 0.46781821457813 0.60299578094018 200.590 > 41 43 Hg 0.36497658851012 0.96781821457813 0.60299578094018 200.590 > 41 44 Hg 0.86497658851012 0.96781821457813 0.60299578094018 200.590 > 41 45 Hg 0.13502341148988 0.21781821457813 0.89700421905982 200.590 > 45 46 Hg 0.63502341148988 0.21781821457813 0.89700421905982 200.590 > 45 47 Hg 0.13502341148988 0.71781821457813 0.89700421905982 200.590 > 45 48 Hg 0.63502341148988 0.71781821457813 0.89700421905982 200.590 > 45 49 Cl 0.02112214905051 0.19922245365648 0.38377179301762 35.453 > 49 50 Cl 0.52112214905051 0.19922245365648 0.38377179301762 35.453 > 49 51 Cl 0.02112214905051 0.69922245365648 0.38377179301762 35.453 > 49 52 Cl 0.52112214905051 0.69922245365648 0.38377179301762 35.453 > 49 53 Cl 0.20517194925465 0.40959193259343 0.87640431942538 35.453 > 53 54 Cl 0.70517194925465 0.40959193259343 0.87640431942538 35.453 > 53 55 Cl 0.20517194925465 0.90959193259343 0.87640431942538 35.453 > 53 56 Cl 0.70517194925465 0.90959193259343 0.87640431942538 35.453 > 53 57 Cl 0.47887785094949 0.30077754634352 0.61622820698238 35.453 > 57 58 Cl 0.97887785094949 0.30077754634352 0.61622820698238 35.453 > 57 59 Cl 0.47887785094949 0.80077754634352 0.61622820698238 35.453 > 57 60 Cl 0.97887785094949 0.80077754634352 0.61622820698238 35.453 > 57 61 Cl 0.47887785094949 0.44922245365648 0.11622820698238 35.453 > 61 62 Cl 0.97887785094949 0.44922245365648 0.11622820698238 35.453 > 61 63 Cl 0.47887785094949 0.94922245365648 0.11622820698238 35.453 > 61 64 Cl 0.97887785094949 0.94922245365648 0.11622820698238 35.453 > 61 65 Cl 0.02112214905051 0.05077754634352 0.88377179301762 35.453 > 65 66 Cl 0.52112214905051 0.05077754634352 0.88377179301762 35.453 > 65 67 Cl 0.02112214905051 0.55077754634352 0.88377179301762 35.453 > 65 68 Cl 0.52112214905051 0.55077754634352 0.88377179301762 35.453 > 65 69 Cl 0.29482805074535 0.15959193259343 0.62359568057462 35.453 > 69 70 Cl 0.79482805074535 0.15959193259343 0.62359568057462 35.453 > 69 71 Cl 0.29482805074535 0.65959193259343 0.62359568057462 35.453 > 69 72 Cl 0.79482805074535 0.65959193259343 0.62359568057462 35.453 > 69 73 Cl 0.29482805074535 0.09040806740657 0.12359568057462 35.453 > 73 74 Cl 0.79482805074535 0.09040806740657 0.12359568057462 35.453 > 73 75 Cl 0.29482805074535 0.59040806740657 0.12359568057462 35.453 > 73 76 Cl 0.79482805074535 0.59040806740657 0.12359568057462 35.453 > 73 77 Cl 0.20517194925465 0.34040806740657 0.37640431942538 35.453 > 77 78 Cl 0.70517194925465 0.34040806740657 0.37640431942538 35.453 > 77 79 Cl 0.20517194925465 0.84040806740657 0.37640431942538 35.453 > 77 80 Cl 0.70517194925465 0.84040806740657 0.37640431942538 35.453 > 77 81 O 0.32395250861135 0.34064376657508 0.22997758467910 15.999 > 81 82 O 0.82395250861135 0.34064376657508 0.22997758467910 15.999 > 81 83 O 0.32395250861135 0.84064376657508 0.22997758467910 15.999 > 81 84 O 0.82395250861135 0.84064376657508 0.22997758467910 15.999 > 81 85 O 0.08778914071482 0.46136141189905 0.50708027651645 15.999 > 85 86 O 0.58778914071482 0.46136141189905 0.50708027651645 15.999 > 85 87 O 0.08778914071482 0.96136141189905 0.50708027651645 15.999 > 85 88 O 0.58778914071482 0.96136141189905 0.50708027651645 15.999 > 85 89 O 0.32395250861135 0.40935623342492 0.72997758467910 15.999 > 89 90 O 0.82395250861135 0.40935623342492 0.72997758467910 15.999 > 89 91 O 0.32395250861135 0.90935623342492 0.72997758467910 15.999 > 89 92 O 0.82395250861135 0.90935623342492 0.72997758467910 15.999 > 89 93 O 0.41221085928518 0.03863858810095 0.49291972348356 15.999 > 93 94 O 0.91221085928518 0.03863858810095 0.49291972348356 15.999 > 93 95 O 0.41221085928518 0.53863858810095 0.49291972348356 15.999 > 93 96 O 0.91221085928518 0.53863858810095 0.49291972348356 15.999 > 93 97 O 0.17604749138865 0.09064376657508 0.27002241532090 15.999 > 97 98 O 0.67604749138865 0.09064376657508 0.27002241532090 15.999 > 97 99 O 0.17604749138865 0.59064376657508 0.27002241532090 15.999 > 97 100 O 0.67604749138865 0.59064376657508 0.27002241532090 15.999 > 97 101 O 0.08778914071482 0.28863858810095 0.00708027651645 15.999 > 101 102 O 0.58778914071482 0.28863858810095 0.00708027651645 15.999 > 101 103 O 0.08778914071482 0.78863858810095 0.00708027651645 15.999 > 101 104 O 0.58778914071482 0.78863858810095 0.00708027651645 15.999 > 101 105 O 0.17604749138865 0.15935623342492 0.77002241532090 15.999 > 105 106 O 0.67604749138865 0.15935623342492 0.77002241532090 15.999 > 105 107 O 0.17604749138865 0.65935623342492 0.77002241532090 15.999 > 105 108 O 0.67604749138865 0.65935623342492 0.77002241532090 15.999 > 105 109 O 0.41221085928518 0.21136141189905 0.99291972348355 15.999 > 109 110 O 0.91221085928518 0.21136141189905 0.99291972348355 15.999 > 109 111 O 0.41221085928518 0.71136141189905 0.99291972348355 15.999 > 109 112 O 0.91221085928518 0.71136141189905 0.99291972348355 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5019883 0.0000000 -0.1630953 0.0000000 4.5331751 0.0000000 -0.1630930 0.0000000 4.5785978 -------------------------- Born effective charges -------------------------- 1 Sr 2.7745118 0.3481760 0.0655304 -0.0292513 2.6661166 -0.1506661 0.0680456 -0.0410001 2.4722666 2 Sr 2.7745118 0.3481760 0.0655304 -0.0292513 2.6661166 -0.1506661 0.0680456 -0.0410001 2.4722666 3 Sr 2.7745118 -0.3481760 0.0655304 0.0292513 2.6661166 0.1506661 0.0680456 0.0410001 2.4722666 4 Sr 2.7745118 -0.3481760 0.0655304 0.0292513 2.6661166 0.1506661 0.0680456 0.0410001 2.4722666 5 Hg 1.9254723 0.0231427 0.0677849 -0.3982630 1.9520896 -0.5401724 0.0657993 -0.5052721 2.2809137 6 Hg 2.0414840 0.2362443 -0.4408487 0.3521209 2.1699664 -0.2339552 -0.4865079 -0.1745506 1.9533866 7 Hg 2.0414840 -0.2362443 -0.4408487 -0.3521209 2.1699664 0.2339552 -0.4865079 0.1745506 1.9533866 8 Hg 1.9254723 -0.0231427 0.0677849 0.3982630 1.9520896 0.5401724 0.0657993 0.5052721 2.2809137 9 Hg 1.9254723 0.0231427 0.0677849 -0.3982630 1.9520896 -0.5401724 0.0657993 -0.5052721 2.2809137 10 Hg 1.9254723 -0.0231427 0.0677849 0.3982630 1.9520896 0.5401724 0.0657993 0.5052721 2.2809137 11 Hg 2.0414840 0.2362443 -0.4408487 0.3521209 2.1699664 -0.2339552 -0.4865079 -0.1745506 1.9533866 12 Hg 2.0414840 -0.2362443 -0.4408487 -0.3521209 2.1699664 0.2339552 -0.4865079 0.1745506 1.9533866 13 Cl -1.3881738 0.1472201 0.1624674 0.2587450 -1.5649740 0.1636894 0.1227224 0.1194538 -1.6695993 14 Cl -1.3594190 -0.2055414 0.0826877 -0.2099827 -1.6239021 0.0865328 0.0677641 0.0671125 -1.4559464 15 Cl -1.3881738 0.1472201 0.1624674 0.2587450 -1.5649740 0.1636894 0.1227224 0.1194538 -1.6695993 16 Cl -1.3881738 -0.1472201 0.1624674 -0.2587450 -1.5649740 -0.1636894 0.1227224 -0.1194538 -1.6695993 17 Cl -1.3881738 -0.1472201 0.1624674 -0.2587450 -1.5649740 -0.1636894 0.1227224 -0.1194538 -1.6695993 18 Cl -1.3594190 0.2055414 0.0826877 0.2099827 -1.6239021 -0.0865328 0.0677641 -0.0671125 -1.4559464 19 Cl -1.3594190 -0.2055414 0.0826877 -0.2099827 -1.6239021 0.0865328 0.0677641 0.0671125 -1.4559464 20 Cl -1.3594190 0.2055414 0.0826877 0.2099827 -1.6239021 -0.0865328 0.0677641 -0.0671125 -1.4559464 21 O -1.8034891 0.1925344 -0.0322360 0.0761333 -1.7219185 -0.2907838 -0.0983050 -0.3604453 -1.9945192 22 O -2.1903862 -0.1356757 0.0946142 -0.2802655 -1.8773781 -0.0010348 0.2604816 0.0574337 -1.5865021 23 O -1.8034891 -0.1925344 -0.0322360 -0.0761333 -1.7219185 0.2907838 -0.0983050 0.3604453 -1.9945192 24 O -2.1903862 -0.1356757 0.0946142 -0.2802655 -1.8773781 -0.0010348 0.2604816 0.0574337 -1.5865021 25 O -1.8034891 -0.1925344 -0.0322360 -0.0761333 -1.7219185 0.2907838 -0.0983050 0.3604453 -1.9945192 26 O -2.1903862 0.1356757 0.0946142 0.2802655 -1.8773781 0.0010348 0.2604816 -0.0574337 -1.5865021 27 O -1.8034891 0.1925344 -0.0322360 0.0761333 -1.7219185 -0.2907838 -0.0983050 -0.3604453 -1.9945192 28 O -2.1903862 0.1356757 0.0946142 0.2802655 -1.8773781 0.0010348 0.2604816 -0.0574337 -1.5865021 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 7 7 5 ] 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: 0.50, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.316 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 11.992 ( 0.000 0.000 0.000) 0.000 12.734 ( 0.000 0.000 0.000) 0.000 12.971 ( 0.000 0.000 0.000) 0.000 13.277 ( 0.000 0.000 0.000) 0.000 13.871 ( 0.000 0.000 0.000) 0.000 14.012 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 14.406 ( 0.000 0.000 0.000) 0.000 14.493 ( 0.000 0.000 0.000) 0.000 14.691 ( 0.000 0.000 0.000) 0.000 14.903 ( 0.000 0.000 0.000) 0.000 15.627 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 16.140 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.599 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 15.452 0.000 3.496) 15.843 0.375 ( 17.005 0.000 6.622) 18.249 0.607 ( 23.060 0.000 13.974) 26.963 1.134 ( 0.483 0.000 -3.048) 3.086 1.164 ( 1.323 0.000 -4.228) 4.430 1.316 ( 3.209 0.000 2.009) 3.786 1.329 ( 2.030 0.000 3.975) 4.463 1.332 ( -0.132 0.000 2.918) 2.921 1.404 ( 0.004 0.000 0.295) 0.295 1.512 ( 0.237 0.000 3.191) 3.199 1.561 ( -9.361 0.000 -3.179) 9.886 1.675 ( -2.128 0.000 -1.317) 2.502 1.709 ( -2.367 0.000 -1.664) 2.893 1.760 ( -2.764 0.000 0.741) 2.861 1.783 ( -0.066 0.000 -2.708) 2.709 1.816 ( 2.946 0.000 -0.177) 2.951 2.076 ( -1.750 0.000 -5.378) 5.656 2.169 ( -2.938 0.000 2.205) 3.673 2.240 ( 0.930 0.000 -1.045) 1.399 2.278 ( 3.598 0.000 -0.635) 3.654 2.352 ( -0.905 0.000 3.418) 3.536 2.495 ( -2.966 0.000 -0.062) 2.967 2.548 ( 1.937 0.000 -0.846) 2.113 2.596 ( -2.196 0.000 -2.276) 3.163 2.676 ( -0.854 0.000 -0.724) 1.120 2.680 ( -0.988 0.000 0.687) 1.204 2.727 ( 1.875 0.000 1.773) 2.581 2.770 ( 2.055 0.000 3.198) 3.801 2.791 ( -3.008 0.000 -3.863) 4.896 3.032 ( -0.081 0.000 -1.959) 1.961 3.046 ( 1.014 0.000 -2.740) 2.922 3.158 ( 0.078 0.000 -2.984) 2.985 3.166 ( -3.883 0.000 1.625) 4.210 3.278 ( -4.848 0.000 1.589) 5.102 3.325 ( 4.935 0.000 -5.188) 7.160 3.454 ( 3.051 0.000 5.997) 6.729 3.462 ( -2.755 0.000 -1.726) 3.251 3.698 ( 1.210 0.000 -0.405) 1.276 3.781 ( -4.418 0.000 3.032) 5.358 3.787 ( 1.676 0.000 0.841) 1.875 3.876 ( -3.074 0.000 0.401) 3.100 3.877 ( 0.066 0.000 -0.829) 0.831 3.905 ( 2.020 0.000 1.361) 2.436 3.951 ( 3.861 0.000 -3.888) 5.479 3.984 ( 2.484 0.000 3.539) 4.323 4.106 ( -2.767 0.000 -1.190) 3.012 4.244 ( 0.005 0.000 2.600) 2.600 4.302 ( -2.513 0.000 -2.817) 3.775 4.398 ( 1.363 0.000 0.379) 1.414 4.494 ( 0.291 0.000 2.319) 2.337 4.617 ( -0.138 0.000 -1.429) 1.435 4.738 ( -3.093 0.000 -2.569) 4.020 4.895 ( -0.180 0.000 -1.170) 1.184 4.948 ( 2.087 0.000 2.916) 3.586 5.065 ( -12.574 0.000 17.127) 21.248 5.097 ( -0.967 0.000 0.537) 1.106 5.347 ( 0.583 0.000 3.940) 3.982 5.412 ( 2.872 0.000 -0.861) 2.999 5.593 ( 9.412 0.000 -15.334) 17.992 5.601 ( -1.129 0.000 -0.476) 1.225 7.438 ( 1.717 0.000 0.169) 1.725 7.586 ( 4.549 0.000 -0.243) 4.556 7.724 ( 4.994 0.000 -10.150) 11.312 8.297 ( 0.197 0.000 -1.083) 1.101 8.331 ( -1.606 0.000 5.867) 6.082 8.588 ( -8.165 0.000 -4.323) 9.239 9.003 ( 0.256 0.000 -2.517) 2.530 9.213 ( 5.087 0.000 2.190) 5.538 12.028 ( 2.646 0.000 2.174) 3.424 12.725 ( 1.150 0.000 -3.158) 3.361 12.970 ( -7.160 0.000 4.119) 8.260 13.282 ( -0.280 0.000 1.493) 1.519 13.999 ( 0.511 0.000 -2.446) 2.499 14.049 ( 0.613 0.000 0.109) 0.622 14.298 ( 4.063 0.000 3.038) 5.073 14.412 ( -0.399 0.000 -0.084) 0.407 14.565 ( 5.976 0.000 3.704) 7.031 14.621 ( -4.879 0.000 -3.990) 6.303 15.254 ( -18.282 0.000 29.715) 34.889 15.576 ( -4.562 0.000 -1.994) 4.978 16.125 ( -2.196 0.000 0.907) 2.376 16.434 ( -0.813 0.000 1.027) 1.310 16.498 ( 21.509 0.000 -35.154) 41.212 16.628 ( 3.615 0.000 -0.771) 3.696 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 13.786 0.000 4.221) 14.417 0.722 ( 14.764 0.000 6.375) 16.082 1.019 ( 12.082 0.000 1.807) 12.216 1.091 ( 0.445 0.000 -6.439) 6.454 1.189 ( 6.031 0.000 -0.492) 6.051 1.320 ( -2.671 0.000 0.167) 2.676 1.323 ( -12.411 0.000 -2.088) 12.585 1.368 ( -0.470 0.000 1.899) 1.957 1.402 ( -1.023 0.000 0.425) 1.107 1.475 ( 4.496 0.000 4.400) 6.291 1.549 ( 0.261 0.000 3.143) 3.153 1.587 ( -4.485 0.000 -3.668) 5.793 1.668 ( -0.199 0.000 -1.047) 1.066 1.707 ( -3.096 0.000 1.880) 3.622 1.764 ( 0.229 0.000 -1.680) 1.695 1.830 ( -0.612 0.000 -1.434) 1.560 2.034 ( 3.478 0.000 -3.997) 5.298 2.153 ( -0.656 0.000 1.773) 1.891 2.224 ( -0.323 0.000 -0.816) 0.878 2.326 ( 2.048 0.000 3.124) 3.736 2.398 ( -6.614 0.000 -0.464) 6.630 2.432 ( 4.291 0.000 3.214) 5.361 2.584 ( 3.134 0.000 -0.741) 3.220 2.585 ( -1.931 0.000 -0.667) 2.043 2.636 ( 0.725 0.000 -6.378) 6.419 2.647 ( -1.878 0.000 0.355) 1.911 2.706 ( -0.325 0.000 -0.252) 0.411 2.793 ( 2.009 0.000 2.601) 3.287 2.835 ( 0.859 0.000 3.097) 3.214 3.009 ( -3.776 0.000 0.879) 3.877 3.021 ( -1.035 0.000 -1.033) 1.463 3.109 ( -2.240 0.000 -0.538) 2.304 3.131 ( -2.160 0.000 1.613) 2.696 3.188 ( -4.334 0.000 -0.888) 4.424 3.351 ( 4.013 0.000 -5.680) 6.955 3.380 ( -3.357 0.000 -1.955) 3.885 3.599 ( 5.536 0.000 3.914) 6.780 3.713 ( -4.323 0.000 0.940) 4.424 3.713 ( 0.318 0.000 -0.064) 0.324 3.811 ( -3.870 0.000 -1.194) 4.050 3.813 ( 1.482 0.000 -2.949) 3.300 3.903 ( 0.214 0.000 5.367) 5.372 3.945 ( 1.710 0.000 0.311) 1.738 3.961 ( -0.285 0.000 -1.321) 1.351 4.049 ( -0.821 0.000 -2.601) 2.728 4.071 ( 2.601 0.000 3.113) 4.057 4.223 ( -3.279 0.000 -1.699) 3.693 4.268 ( 0.744 0.000 1.212) 1.422 4.429 ( 2.466 0.000 -0.567) 2.530 4.536 ( 0.067 0.000 3.904) 3.904 4.597 ( 0.507 0.000 -2.399) 2.452 4.655 ( -3.532 0.000 -2.345) 4.240 4.881 ( 0.842 0.000 -1.910) 2.087 5.008 ( 1.833 0.000 1.723) 2.515 5.021 ( -6.783 0.000 5.785) 8.915 5.085 ( -1.147 0.000 0.638) 1.313 5.387 ( -0.160 0.000 2.448) 2.453 5.476 ( 3.509 0.000 1.379) 3.771 5.568 ( -0.887 0.000 -1.806) 2.012 5.591 ( 3.140 0.000 -5.148) 6.030 7.483 ( 2.848 0.000 0.567) 2.904 7.674 ( 5.463 0.000 -0.775) 5.518 7.695 ( 1.699 0.000 -5.633) 5.884 8.286 ( -0.708 0.000 -0.080) 0.713 8.384 ( -0.804 0.000 7.467) 7.510 8.385 ( -9.302 0.000 -3.181) 9.831 8.971 ( 0.294 0.000 -3.988) 3.999 9.318 ( 3.938 0.000 1.817) 4.337 12.118 ( 3.820 0.000 3.135) 4.941 12.712 ( 2.837 0.000 -5.239) 5.958 12.878 ( -8.154 0.000 4.286) 9.212 13.302 ( 0.294 0.000 2.307) 2.326 13.989 ( 1.648 0.000 -2.825) 3.271 14.076 ( 1.612 0.000 0.955) 1.873 14.355 ( -4.525 0.000 -0.741) 4.586 14.389 ( -1.644 0.000 -0.369) 1.685 14.534 ( 3.576 0.000 -0.015) 3.576 14.734 ( 7.163 0.000 4.101) 8.254 15.263 ( -6.587 0.000 11.191) 12.986 15.434 ( -7.672 0.000 -3.984) 8.645 16.091 ( -2.500 0.000 0.660) 2.586 16.417 ( -0.066 0.000 -2.643) 2.644 16.497 ( 7.251 0.000 -10.676) 12.905 16.693 ( 4.175 0.000 -0.452) 4.200 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.442 0.000 3.975) 9.331 0.997 ( 5.470 0.000 1.125) 5.585 1.034 ( 5.145 0.000 -2.105) 5.559 1.105 ( 2.696 0.000 -5.225) 5.879 1.128 ( -7.123 0.000 1.155) 7.216 1.256 ( -3.017 0.000 0.633) 3.083 1.305 ( 3.627 0.000 1.290) 3.850 1.309 ( -5.341 0.000 -3.897) 6.611 1.403 ( -0.492 0.000 1.635) 1.708 1.471 ( -2.778 0.000 -0.462) 2.817 1.505 ( -1.120 0.000 -1.077) 1.554 1.607 ( 0.080 0.000 2.549) 2.550 1.666 ( 0.635 0.000 -0.477) 0.794 1.701 ( -0.448 0.000 0.470) 0.649 1.770 ( 1.018 0.000 0.481) 1.127 1.792 ( -1.241 0.000 -0.878) 1.520 2.099 ( 6.739 0.000 -0.549) 6.761 2.175 ( 0.697 0.000 0.519) 0.869 2.242 ( -3.532 0.000 0.215) 3.539 2.251 ( -3.365 0.000 -0.657) 3.428 2.432 ( 2.807 0.000 3.479) 4.470 2.506 ( -2.554 0.000 -1.931) 3.201 2.542 ( 5.594 0.000 2.934) 6.317 2.623 ( -2.238 0.000 1.644) 2.777 2.635 ( 2.755 0.000 -0.851) 2.884 2.640 ( 2.488 0.000 -2.320) 3.402 2.712 ( 0.073 0.000 0.477) 0.482 2.780 ( -3.824 0.000 -1.282) 4.033 2.896 ( 1.932 0.000 2.706) 3.325 2.950 ( -2.844 0.000 0.925) 2.991 3.004 ( 0.204 0.000 -1.465) 1.479 3.087 ( -0.739 0.000 1.079) 1.308 3.115 ( -1.185 0.000 0.623) 1.339 3.117 ( -1.954 0.000 -1.561) 2.501 3.274 ( -2.366 0.000 -2.736) 3.617 3.385 ( 1.686 0.000 -1.033) 1.977 3.661 ( -1.947 0.000 1.846) 2.683 3.699 ( 2.244 0.000 0.688) 2.347 3.726 ( -2.537 0.000 -2.825) 3.797 3.741 ( 1.663 0.000 1.510) 2.246 3.789 ( -0.543 0.000 -2.454) 2.514 3.925 ( -1.476 0.000 -0.334) 1.513 3.940 ( 0.152 0.000 0.490) 0.513 3.993 ( 1.111 0.000 2.478) 2.716 4.027 ( 0.196 0.000 -1.030) 1.049 4.124 ( 1.296 0.000 0.114) 1.300 4.167 ( -2.029 0.000 0.607) 2.118 4.294 ( 0.653 0.000 0.646) 0.919 4.469 ( 2.472 0.000 -0.489) 2.520 4.562 ( -0.742 0.000 1.876) 2.017 4.572 ( -3.001 0.000 -1.235) 3.245 4.590 ( 0.935 0.000 -1.307) 1.607 4.891 ( 2.231 0.000 -1.483) 2.678 4.966 ( -4.052 0.000 2.072) 4.551 5.047 ( 1.394 0.000 0.275) 1.421 5.072 ( -1.043 0.000 0.509) 1.160 5.401 ( -0.043 0.000 0.630) 0.631 5.535 ( 1.275 0.000 1.031) 1.640 5.540 ( -0.533 0.000 -0.703) 0.882 5.590 ( 0.944 0.000 -1.503) 1.775 7.536 ( 1.750 0.000 0.680) 1.877 7.668 ( 0.472 0.000 -2.430) 2.475 7.737 ( 2.290 0.000 -0.527) 2.350 8.235 ( -4.321 0.000 -1.155) 4.473 8.274 ( -0.454 0.000 0.080) 0.461 8.446 ( -0.061 0.000 3.991) 3.992 8.936 ( 0.104 0.000 -2.340) 2.342 9.378 ( 1.385 0.000 0.665) 1.537 12.201 ( 1.927 0.000 1.592) 2.500 12.714 ( 3.083 0.000 -4.062) 5.100 12.801 ( -5.175 0.000 3.560) 6.281 13.335 ( 0.592 0.000 1.397) 1.518 13.990 ( 1.130 0.000 -1.703) 2.044 14.112 ( 1.074 0.000 0.604) 1.232 14.222 ( -4.583 0.000 -1.788) 4.919 14.359 ( -1.042 0.000 -0.276) 1.078 14.666 ( 5.166 0.000 2.708) 5.832 14.861 ( 3.097 0.000 1.682) 3.524 15.264 ( -5.424 0.000 -3.142) 6.268 15.268 ( -1.853 0.000 3.204) 3.701 16.063 ( -1.020 0.000 0.184) 1.036 16.389 ( -0.052 0.000 -1.603) 1.604 16.507 ( 1.876 0.000 -2.308) 2.974 16.745 ( 1.748 0.000 -0.072) 1.750 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 0.000 15.701 0.000) 15.701 0.378 ( 0.000 18.153 0.000) 18.153 0.630 ( 0.000 28.942 0.000) 28.942 1.141 ( 0.000 -0.646 0.000) 0.646 1.178 ( 0.000 -0.881 0.000) 0.881 1.273 ( 0.000 -0.342 0.000) 0.342 1.274 ( 0.000 1.156 0.000) 1.156 1.335 ( 0.000 1.295 0.000) 1.295 1.428 ( 0.000 2.951 0.000) 2.951 1.523 ( 0.000 4.038 0.000) 4.038 1.604 ( 0.000 -6.927 0.000) 6.927 1.697 ( 0.000 -0.882 0.000) 0.882 1.726 ( 0.000 -1.167 0.000) 1.167 1.771 ( 0.000 -0.042 0.000) 0.042 1.782 ( 0.000 0.126 0.000) 0.126 1.817 ( 0.000 0.205 0.000) 0.205 2.060 ( 0.000 -0.411 0.000) 0.411 2.155 ( 0.000 0.778 0.000) 0.778 2.241 ( 0.000 0.213 0.000) 0.213 2.288 ( 0.000 0.106 0.000) 0.106 2.335 ( 0.000 0.264 0.000) 0.264 2.453 ( 0.000 -6.819 0.000) 6.819 2.555 ( 0.000 -4.373 0.000) 4.373 2.604 ( 0.000 1.074 0.000) 1.074 2.679 ( 0.000 0.335 0.000) 0.335 2.710 ( 0.000 1.069 0.000) 1.069 2.738 ( 0.000 -0.942 0.000) 0.942 2.788 ( 0.000 2.413 0.000) 2.413 2.899 ( 0.000 9.381 0.000) 9.381 2.955 ( 0.000 -4.576 0.000) 4.576 3.028 ( 0.000 -5.334 0.000) 5.334 3.189 ( 0.000 3.291 0.000) 3.291 3.202 ( 0.000 -3.254 0.000) 3.254 3.212 ( 0.000 0.044 0.000) 0.044 3.304 ( 0.000 -0.079 0.000) 0.079 3.430 ( 0.000 0.006 0.000) 0.006 3.614 ( 0.000 8.330 0.000) 8.330 3.631 ( 0.000 -4.148 0.000) 4.148 3.672 ( 0.000 3.011 0.000) 3.011 3.742 ( 0.000 -6.344 0.000) 6.344 3.778 ( 0.000 -0.462 0.000) 0.462 3.832 ( 0.000 -4.159 0.000) 4.159 3.904 ( 0.000 -0.056 0.000) 0.056 4.010 ( 0.000 4.451 0.000) 4.451 4.145 ( 0.000 0.352 0.000) 0.352 4.156 ( 0.000 -3.268 0.000) 3.268 4.313 ( 0.000 -2.278 0.000) 2.278 4.342 ( 0.000 4.849 0.000) 4.849 4.454 ( 0.000 -1.588 0.000) 1.588 4.475 ( 0.000 1.697 0.000) 1.697 4.510 ( 0.000 0.307 0.000) 0.307 4.644 ( 0.000 1.600 0.000) 1.600 4.747 ( 0.000 -5.719 0.000) 5.719 4.901 ( 0.000 0.339 0.000) 0.339 4.942 ( 0.000 2.378 0.000) 2.378 5.086 ( 0.000 -1.572 0.000) 1.572 5.422 ( 0.000 1.647 0.000) 1.647 5.447 ( 0.000 3.958 0.000) 3.958 5.625 ( 0.000 0.624 0.000) 0.624 6.032 ( 0.000 -2.811 0.000) 2.811 7.450 ( 0.000 2.363 0.000) 2.363 7.477 ( 0.000 1.036 0.000) 1.036 7.580 ( 0.000 2.279 0.000) 2.279 8.230 ( 0.000 -6.011 0.000) 6.011 8.761 ( 0.000 5.028 0.000) 5.028 9.019 ( 0.000 0.569 0.000) 0.569 9.118 ( 0.000 -1.984 0.000) 1.984 9.234 ( 0.000 -0.147 0.000) 0.147 12.013 ( 0.000 2.037 0.000) 2.037 12.661 ( 0.000 -6.517 0.000) 6.517 12.983 ( 0.000 1.199 0.000) 1.199 13.275 ( 0.000 -0.725 0.000) 0.725 13.893 ( 0.000 2.106 0.000) 2.106 14.040 ( 0.000 2.729 0.000) 2.729 14.242 ( 0.000 -1.185 0.000) 1.185 14.447 ( 0.000 2.921 0.000) 2.921 14.503 ( 0.000 1.891 0.000) 1.891 14.712 ( 0.000 0.425 0.000) 0.425 14.897 ( 0.000 -0.711 0.000) 0.711 15.557 ( 0.000 -6.389 0.000) 6.389 16.041 ( 0.000 4.179 0.000) 4.179 16.438 ( 0.000 0.456 0.000) 0.456 16.588 ( 0.000 -1.086 0.000) 1.086 16.620 ( 0.000 -2.619 0.000) 2.619 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 6.508 11.636 6.073) 14.651 0.458 ( 10.718 10.802 4.025) 15.741 0.876 ( 15.153 17.825 6.450) 24.268 1.132 ( 0.656 -0.401 -1.916) 2.065 1.174 ( 0.457 1.334 -3.128) 3.432 1.273 ( 1.554 -2.486 1.190) 3.164 1.326 ( 2.612 0.200 2.464) 3.596 1.353 ( -0.170 0.798 3.356) 3.454 1.438 ( -0.107 2.783 0.178) 2.791 1.543 ( -2.845 -0.319 1.099) 3.067 1.546 ( -2.106 0.533 -1.012) 2.396 1.674 ( -1.764 -0.476 -0.691) 1.954 1.699 ( -2.163 -0.980 -1.434) 2.774 1.716 ( -2.903 -1.870 -2.057) 4.020 1.772 ( -0.888 0.222 0.017) 0.916 1.829 ( 0.953 -0.134 0.304) 1.009 2.091 ( -1.580 -0.469 -3.410) 3.788 2.133 ( -0.047 -1.050 1.590) 1.906 2.224 ( 0.242 -0.923 -0.641) 1.150 2.285 ( 0.964 1.731 -1.816) 2.688 2.346 ( 1.151 -0.122 1.816) 2.154 2.457 ( 0.652 -5.367 0.655) 5.446 2.532 ( 0.268 -0.675 -0.501) 0.882 2.583 ( -6.103 -1.799 0.511) 6.383 2.638 ( 1.149 0.011 -2.783) 3.011 2.685 ( -0.396 -1.427 0.886) 1.726 2.761 ( -3.585 0.975 1.068) 3.865 2.779 ( -1.269 0.924 -0.173) 1.579 2.874 ( 0.241 4.827 -2.730) 5.551 2.975 ( 1.065 -1.902 -0.652) 2.275 3.046 ( 3.147 -0.558 1.043) 3.362 3.141 ( -3.163 -1.664 0.300) 3.587 3.181 ( -1.276 1.991 -1.081) 2.600 3.266 ( -2.185 -1.066 2.182) 3.267 3.307 ( 3.050 -1.156 -3.465) 4.759 3.394 ( -0.691 -0.299 0.328) 0.822 3.583 ( -0.787 4.999 0.187) 5.064 3.666 ( 1.539 -2.518 -0.953) 3.101 3.701 ( -0.786 -1.949 0.532) 2.168 3.780 ( 2.962 -1.041 1.195) 3.360 3.806 ( 1.340 -2.555 4.336) 5.209 3.867 ( 2.930 -2.999 -1.670) 4.514 3.881 ( -1.441 0.033 -0.481) 1.520 4.027 ( 0.498 3.549 1.137) 3.760 4.079 ( 0.032 0.095 -4.598) 4.599 4.168 ( -5.566 3.589 3.622) 7.549 4.228 ( 0.351 1.500 -1.757) 2.337 4.364 ( -0.725 0.964 1.144) 1.662 4.388 ( -0.201 3.244 -2.808) 4.295 4.496 ( 0.258 -0.808 -0.152) 0.862 4.621 ( 1.012 -0.559 0.526) 1.270 4.671 ( -0.559 -4.969 0.882) 5.078 4.758 ( 3.107 -7.708 3.031) 8.847 4.905 ( 0.222 0.395 -0.477) 0.658 4.992 ( 2.021 0.653 4.440) 4.921 5.088 ( -0.673 -1.397 1.667) 2.277 5.405 ( -2.145 1.758 1.202) 3.022 5.457 ( 1.626 3.909 -0.846) 4.318 5.611 ( -1.444 0.539 -0.111) 1.546 5.849 ( -8.141 8.386 -6.548) 13.397 7.467 ( 1.122 2.591 1.294) 3.106 7.534 ( 5.782 -2.873 -3.402) 7.298 7.641 ( 5.656 0.381 1.055) 5.767 8.223 ( -1.553 -6.083 1.075) 6.369 8.620 ( -14.780 6.179 1.030) 16.053 8.815 ( -12.258 17.545 -12.859) 24.968 9.005 ( 1.238 1.225 -4.824) 5.129 9.212 ( 5.096 -0.048 2.205) 5.553 12.048 ( 2.564 1.904 2.044) 3.792 12.657 ( 0.932 -6.080 -1.701) 6.382 12.969 ( -4.521 0.523 2.082) 5.005 13.277 ( -0.581 -0.970 1.396) 1.797 14.005 ( 3.459 -1.231 2.381) 4.375 14.027 ( 1.158 1.917 -2.693) 3.502 14.280 ( 3.105 -1.659 2.656) 4.410 14.435 ( -1.071 0.689 -0.491) 1.365 14.570 ( 3.854 2.260 2.462) 5.102 14.647 ( -2.065 2.328 -2.701) 4.120 15.086 ( -0.553 -8.370 16.925) 18.890 15.539 ( -1.578 -4.776 -1.678) 5.303 16.071 ( 2.529 0.360 -0.727) 2.656 16.448 ( -0.543 0.644 1.838) 2.022 16.502 ( 0.821 -0.907 -11.011) 11.079 16.637 ( 4.597 -0.922 -4.264) 6.337 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 12.603 5.062 4.272) 14.238 0.710 ( 11.690 3.372 5.079) 13.185 1.066 ( 1.337 0.952 -4.093) 4.410 1.133 ( 4.895 3.834 -3.120) 6.957 1.202 ( 3.828 0.766 0.234) 3.911 1.265 ( -5.269 -2.757 -0.376) 5.958 1.341 ( -5.508 -0.023 0.103) 5.509 1.377 ( -0.739 -0.534 3.615) 3.728 1.420 ( -2.220 1.807 -0.481) 2.902 1.476 ( 1.080 0.824 0.922) 1.642 1.571 ( -0.376 1.259 2.900) 3.184 1.606 ( -3.075 2.342 -2.118) 4.408 1.676 ( 0.112 1.095 0.266) 1.133 1.691 ( 1.502 -1.247 1.293) 2.341 1.752 ( -0.918 -0.363 -0.711) 1.216 1.829 ( -0.769 -0.179 -0.256) 0.830 2.043 ( 2.198 0.671 -3.758) 4.405 2.147 ( 0.663 -0.285 0.855) 1.119 2.225 ( -1.814 -0.533 0.733) 2.028 2.291 ( 2.703 -0.857 0.470) 2.874 2.381 ( -0.763 -2.562 1.518) 3.074 2.466 ( -3.004 -0.075 -1.583) 3.397 2.514 ( 3.444 -2.501 1.310) 4.454 2.547 ( -3.285 -2.847 0.687) 4.401 2.634 ( 2.583 -0.304 -4.140) 4.889 2.661 ( -1.661 -0.269 0.729) 1.833 2.692 ( -2.130 -0.965 1.970) 3.058 2.792 ( 0.864 0.726 1.351) 1.760 2.887 ( 3.093 2.064 -1.774) 4.120 2.970 ( -0.822 -0.058 -0.124) 0.833 3.057 ( -2.025 -1.655 -0.891) 2.762 3.116 ( -4.083 2.419 2.502) 5.365 3.145 ( -0.810 2.629 1.660) 3.213 3.205 ( -3.916 0.901 0.880) 4.113 3.328 ( 3.958 -2.279 -5.244) 6.954 3.387 ( -0.991 1.116 -1.742) 2.294 3.602 ( 0.681 0.380 0.346) 0.853 3.660 ( -1.824 -2.610 -0.516) 3.226 3.685 ( 1.209 -2.602 0.818) 2.984 3.801 ( -2.557 -0.605 -1.894) 3.239 3.819 ( 0.809 -0.540 -2.353) 2.546 3.902 ( 2.304 0.043 4.252) 4.836 3.913 ( 2.375 -1.042 -0.085) 2.595 4.028 ( -0.100 2.105 -0.008) 2.108 4.061 ( -2.139 1.975 0.900) 3.047 4.135 ( -0.354 4.086 1.636) 4.415 4.230 ( 0.613 -0.515 -0.533) 0.962 4.311 ( -2.572 5.096 -2.448) 6.210 4.396 ( 1.383 -1.982 0.181) 2.423 4.520 ( 1.023 -2.427 1.610) 3.087 4.596 ( -2.044 -0.953 -3.129) 3.858 4.650 ( -0.273 0.488 0.403) 0.689 4.820 ( 0.762 -7.019 0.209) 7.063 4.917 ( 1.196 -1.216 0.536) 1.788 5.046 ( 0.044 0.149 1.872) 1.878 5.096 ( -2.568 0.569 3.986) 4.776 5.403 ( 0.381 0.662 1.599) 1.772 5.481 ( 2.433 2.292 -1.341) 3.602 5.581 ( -1.435 0.238 -0.261) 1.478 5.708 ( -2.955 7.186 -3.143) 8.382 7.508 ( 1.503 2.304 1.523) 3.144 7.588 ( 5.193 -2.903 -3.614) 6.961 7.749 ( 5.450 1.574 -0.746) 5.722 8.203 ( -2.911 -5.761 3.285) 7.243 8.421 ( -6.836 4.708 -1.312) 8.403 8.575 ( -8.713 10.597 -2.177) 13.890 8.984 ( 1.512 1.925 -4.020) 4.707 9.313 ( 3.759 -0.438 1.602) 4.110 12.133 ( 3.669 1.518 2.913) 4.925 12.659 ( 2.124 -4.988 -2.833) 6.117 12.892 ( -6.203 1.564 2.216) 6.770 13.288 ( -0.115 -1.578 2.046) 2.586 14.006 ( 1.080 1.665 -2.861) 3.482 14.077 ( 2.543 0.221 1.209) 2.824 14.325 ( -3.599 -1.524 -0.142) 3.911 14.437 ( 0.721 1.152 1.189) 1.806 14.505 ( -0.555 -0.771 -2.235) 2.429 14.771 ( 8.240 3.788 3.336) 9.663 15.161 ( -4.721 -6.896 6.792) 10.769 15.469 ( -4.234 1.117 -0.712) 4.437 16.086 ( -0.488 0.127 0.528) 0.730 16.394 ( -1.299 -1.993 -4.632) 5.207 16.485 ( 3.755 -0.594 -3.789) 5.367 16.680 ( 3.578 -1.820 -1.307) 4.222 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 6.028 3.268 2.962) 7.469 0.965 ( 11.606 -2.156 3.665) 12.361 1.004 ( -0.059 -0.481 -5.255) 5.277 1.127 ( -5.096 0.085 0.447) 5.117 1.177 ( 1.871 3.520 -3.402) 5.240 1.188 ( -4.094 -3.978 -2.715) 6.321 1.265 ( -4.038 0.495 1.033) 4.197 1.391 ( 0.058 -0.799 0.169) 0.818 1.394 ( -1.759 -0.870 1.954) 2.769 1.446 ( -1.991 -1.118 -0.850) 2.437 1.570 ( 0.340 6.354 -0.062) 6.363 1.603 ( 0.027 0.726 1.248) 1.444 1.696 ( 0.580 1.880 0.539) 2.040 1.712 ( -0.952 1.247 0.129) 1.574 1.763 ( 2.184 -0.591 0.613) 2.344 1.809 ( -1.097 1.350 -0.224) 1.753 2.091 ( 5.555 -0.974 -0.426) 5.655 2.162 ( -0.292 -3.113 0.362) 3.147 2.205 ( -0.090 -1.305 -0.071) 1.310 2.263 ( -6.527 1.952 -1.079) 6.898 2.411 ( 2.858 -3.176 -0.315) 4.284 2.446 ( -1.586 -3.155 1.235) 3.741 2.512 ( 3.450 -4.052 1.295) 5.477 2.564 ( 0.407 -2.390 -0.296) 2.442 2.645 ( 0.238 -0.637 -3.005) 3.081 2.665 ( -0.497 0.849 2.894) 3.056 2.692 ( -0.171 0.014 1.485) 1.495 2.837 ( 1.710 3.197 2.008) 4.145 2.916 ( 2.815 0.907 -1.946) 3.541 2.952 ( -1.812 0.720 0.585) 2.036 3.018 ( 0.339 -0.132 -1.923) 1.957 3.057 ( -4.867 0.548 1.868) 5.242 3.158 ( -0.784 4.294 1.913) 4.765 3.173 ( -0.484 2.253 0.094) 2.306 3.303 ( 0.209 1.933 -4.910) 5.281 3.360 ( -0.195 -1.461 0.115) 1.478 3.580 ( -1.683 -3.842 1.464) 4.443 3.633 ( -0.781 -4.632 -2.812) 5.475 3.708 ( 0.028 -1.971 -0.596) 2.060 3.771 ( 0.658 1.666 2.532) 3.101 3.811 ( 0.796 0.596 -3.141) 3.295 3.933 ( 0.969 -0.021 0.755) 1.229 3.957 ( -0.293 0.992 0.018) 1.035 4.030 ( -0.617 0.716 0.366) 1.014 4.043 ( -0.323 4.267 1.944) 4.700 4.152 ( 0.356 2.354 0.227) 2.392 4.239 ( 0.273 2.319 0.021) 2.336 4.259 ( -0.994 0.299 -0.615) 1.206 4.431 ( 2.248 -3.417 0.442) 4.114 4.508 ( -2.845 -1.014 -1.624) 3.429 4.558 ( 0.522 -2.876 0.184) 2.928 4.655 ( 0.206 3.201 0.098) 3.209 4.821 ( 0.290 -5.699 -0.587) 5.737 4.937 ( 0.199 -1.151 0.484) 1.264 5.057 ( 0.190 -0.374 0.240) 0.483 5.084 ( -1.742 2.081 1.579) 3.140 5.429 ( 0.310 1.879 1.030) 2.165 5.500 ( 0.752 -0.664 -0.776) 1.269 5.573 ( 0.787 -0.410 -0.141) 0.898 5.649 ( -1.626 5.401 -0.740) 5.689 7.540 ( 0.515 1.101 0.704) 1.405 7.639 ( 3.595 -1.121 -1.618) 4.099 7.786 ( 0.208 2.437 -0.852) 2.590 8.224 ( 1.406 -2.071 3.565) 4.356 8.316 ( -3.663 4.090 -3.095) 6.303 8.458 ( -3.870 1.176 1.166) 4.210 8.970 ( 0.668 3.499 -1.805) 3.993 9.370 ( 1.295 -0.826 0.592) 1.646 12.212 ( 1.836 1.103 1.470) 2.598 12.668 ( 1.668 -4.357 -1.854) 5.021 12.825 ( -3.342 2.462 1.563) 4.436 13.312 ( 0.385 -2.254 1.219) 2.591 13.995 ( 0.481 0.668 -1.679) 1.870 14.134 ( 2.709 1.421 0.890) 3.186 14.215 ( -5.117 -0.116 -1.447) 5.319 14.403 ( -1.167 3.897 -0.827) 4.151 14.589 ( 3.488 -6.207 2.315) 7.487 14.924 ( 6.167 4.793 0.819) 7.853 15.097 ( -5.770 -7.563 0.529) 9.527 15.411 ( -1.855 5.742 0.341) 6.044 16.079 ( -0.568 1.390 0.366) 1.546 16.343 ( -0.291 -3.948 -2.058) 4.462 16.504 ( 1.249 -0.288 -1.022) 1.639 16.718 ( 1.448 -2.742 -0.241) 3.110 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 14.490 0.000) 14.490 0.729 ( 0.000 16.185 0.000) 16.185 1.077 ( 0.000 8.104 0.000) 8.104 1.120 ( 0.000 -0.925 0.000) 0.925 1.179 ( 0.000 5.044 0.000) 5.044 1.286 ( 0.000 1.424 0.000) 1.424 1.315 ( 0.000 1.359 0.000) 1.359 1.340 ( 0.000 -1.798 0.000) 1.798 1.475 ( 0.000 -2.146 0.000) 2.146 1.510 ( 0.000 4.606 0.000) 4.606 1.601 ( 0.000 2.966 0.000) 2.966 1.664 ( 0.000 -2.313 0.000) 2.313 1.694 ( 0.000 -1.759 0.000) 1.759 1.764 ( 0.000 -1.546 0.000) 1.546 1.773 ( 0.000 0.685 0.000) 0.685 1.816 ( 0.000 -0.291 0.000) 0.291 2.063 ( 0.000 1.005 0.000) 1.005 2.173 ( 0.000 1.228 0.000) 1.228 2.246 ( 0.000 -0.377 0.000) 0.377 2.330 ( 0.000 -3.696 0.000) 3.696 2.348 ( 0.000 5.563 0.000) 5.563 2.358 ( 0.000 1.861 0.000) 1.861 2.485 ( 0.000 -3.020 0.000) 3.020 2.575 ( 0.000 -6.892 0.000) 6.892 2.618 ( 0.000 -0.627 0.000) 0.627 2.720 ( 0.000 -0.430 0.000) 0.430 2.774 ( 0.000 1.243 0.000) 1.243 2.806 ( 0.000 1.342 0.000) 1.342 2.841 ( 0.000 -6.162 0.000) 6.162 2.968 ( 0.000 0.616 0.000) 0.616 3.116 ( 0.000 9.370 0.000) 9.370 3.117 ( 0.000 -4.691 0.000) 4.691 3.210 ( 0.000 -3.136 0.000) 3.136 3.225 ( 0.000 2.067 0.000) 2.067 3.331 ( 0.000 2.994 0.000) 2.994 3.443 ( 0.000 1.228 0.000) 1.228 3.526 ( 0.000 -5.560 0.000) 5.560 3.615 ( 0.000 -5.978 0.000) 5.978 3.716 ( 0.000 -3.133 0.000) 3.133 3.742 ( 0.000 -0.538 0.000) 0.538 3.754 ( 0.000 1.172 0.000) 1.172 3.800 ( 0.000 6.422 0.000) 6.422 3.895 ( 0.000 -0.706 0.000) 0.706 4.048 ( 0.000 -0.040 0.000) 0.040 4.103 ( 0.000 -1.910 0.000) 1.910 4.136 ( 0.000 -1.344 0.000) 1.344 4.321 ( 0.000 2.331 0.000) 2.331 4.407 ( 0.000 -0.830 0.000) 0.830 4.442 ( 0.000 2.791 0.000) 2.791 4.479 ( 0.000 -0.185 0.000) 0.185 4.531 ( 0.000 0.898 0.000) 0.898 4.633 ( 0.000 -4.879 0.000) 4.879 4.690 ( 0.000 2.931 0.000) 2.931 4.897 ( 0.000 -1.134 0.000) 1.134 4.987 ( 0.000 2.006 0.000) 2.006 5.051 ( 0.000 -1.501 0.000) 1.501 5.463 ( 0.000 2.532 0.000) 2.532 5.558 ( 0.000 6.402 0.000) 6.402 5.623 ( 0.000 -1.079 0.000) 1.079 5.951 ( 0.000 -5.026 0.000) 5.026 7.497 ( 0.000 1.870 0.000) 1.870 7.502 ( 0.000 1.241 0.000) 1.241 7.659 ( 0.000 5.535 0.000) 5.535 8.091 ( 0.000 -7.238 0.000) 7.238 8.866 ( 0.000 4.750 0.000) 4.750 9.044 ( 0.000 2.057 0.000) 2.057 9.068 ( 0.000 -2.742 0.000) 2.742 9.218 ( 0.000 -1.509 0.000) 1.509 12.075 ( 0.000 4.111 0.000) 4.111 12.500 ( 0.000 -8.710 0.000) 8.710 13.020 ( 0.000 2.488 0.000) 2.488 13.238 ( 0.000 -2.914 0.000) 2.914 13.953 ( 0.000 3.631 0.000) 3.631 14.120 ( 0.000 4.954 0.000) 4.954 14.198 ( 0.000 -3.088 0.000) 3.088 14.441 ( 0.000 -2.867 0.000) 2.867 14.624 ( 0.000 7.961 0.000) 7.961 14.751 ( 0.000 4.276 0.000) 4.276 14.872 ( 0.000 -1.745 0.000) 1.745 15.386 ( 0.000 -10.089 0.000) 10.089 16.147 ( 0.000 6.029 0.000) 6.029 16.447 ( 0.000 0.218 0.000) 0.218 16.547 ( 0.000 -4.140 0.000) 4.140 16.559 ( 0.000 -1.669 0.000) 1.669 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 6.347 13.305 2.656) 14.979 0.726 ( -0.488 15.295 3.821) 15.772 1.113 ( -0.200 0.274 1.454) 1.493 1.145 ( 3.644 4.605 -1.074) 5.969 1.195 ( 0.474 -0.128 1.217) 1.312 1.254 ( -0.872 1.313 -1.480) 2.162 1.333 ( 0.672 -1.649 -0.200) 1.791 1.356 ( 0.015 -1.286 1.663) 2.102 1.473 ( -0.599 -0.775 1.804) 2.053 1.497 ( -2.219 2.689 -0.809) 3.579 1.609 ( 0.766 2.546 0.550) 2.715 1.655 ( -0.797 -1.016 -0.924) 1.588 1.687 ( -0.589 0.063 0.179) 0.619 1.720 ( -2.426 1.825 -0.619) 3.098 1.769 ( -1.503 -1.009 1.526) 2.368 1.820 ( 0.522 0.080 -0.417) 0.673 2.086 ( 1.203 1.035 0.354) 1.626 2.145 ( -0.614 1.531 -0.916) 1.887 2.222 ( -1.890 0.790 -2.732) 3.415 2.298 ( -0.800 -4.303 -0.208) 4.381 2.329 ( -1.064 2.319 -0.795) 2.673 2.414 ( 2.584 1.709 1.797) 3.581 2.488 ( 0.803 -3.523 -0.231) 3.621 2.526 ( -4.176 -2.776 0.270) 5.021 2.630 ( 1.314 -3.359 -1.077) 3.764 2.668 ( -0.180 2.235 -1.995) 3.001 2.757 ( -5.817 -0.030 0.990) 5.900 2.808 ( -3.646 -1.680 3.590) 5.386 2.853 ( 4.176 -0.854 -3.621) 5.593 2.997 ( 3.237 -0.250 0.265) 3.257 3.020 ( -3.887 -1.912 -2.311) 4.910 3.185 ( 1.264 4.682 -0.631) 4.890 3.212 ( -1.001 0.317 1.732) 2.026 3.241 ( 1.253 0.198 2.461) 2.769 3.318 ( -0.308 2.226 -2.099) 3.075 3.409 ( -0.633 1.406 -1.583) 2.210 3.565 ( 2.031 -5.050 1.154) 5.564 3.616 ( 1.896 -2.846 -2.005) 3.964 3.688 ( -3.801 -1.421 -0.707) 4.120 3.757 ( 3.568 -1.400 -1.360) 4.067 3.800 ( 2.065 -1.075 3.239) 3.989 3.826 ( 1.516 2.152 0.380) 2.660 3.884 ( -0.215 0.656 -0.374) 0.785 4.047 ( -0.385 -1.229 -0.987) 1.623 4.072 ( -0.673 -0.107 0.558) 0.881 4.175 ( 0.485 -1.401 2.125) 2.591 4.285 ( -2.347 3.397 -0.812) 4.208 4.404 ( -0.319 2.144 -0.137) 2.172 4.434 ( 1.001 -0.316 -1.537) 1.861 4.485 ( -1.624 1.498 -3.081) 3.791 4.553 ( 1.815 -2.896 4.454) 5.614 4.622 ( -1.100 -3.660 -1.060) 3.966 4.709 ( 1.768 2.414 0.746) 3.084 4.907 ( 0.350 -0.701 0.214) 0.813 5.017 ( 2.037 1.386 1.964) 3.150 5.055 ( 0.362 -1.447 0.693) 1.645 5.443 ( -2.402 2.266 0.510) 3.341 5.561 ( 0.165 5.664 -0.086) 5.667 5.607 ( -1.975 -0.907 0.579) 2.249 5.891 ( -4.942 -2.068 -1.316) 5.517 7.514 ( 1.608 1.479 0.320) 2.208 7.534 ( 3.940 1.883 -1.100) 4.503 7.689 ( 3.149 4.104 0.661) 5.215 8.085 ( -1.548 -7.141 1.352) 7.430 8.729 ( -12.622 4.865 -0.349) 13.531 8.926 ( -8.983 -1.027 -2.224) 9.312 9.103 ( 1.309 5.031 -8.510) 9.972 9.210 ( 4.628 -0.215 1.380) 4.834 12.106 ( 2.335 3.844 1.682) 4.801 12.507 ( 1.132 -8.170 -0.375) 8.257 13.000 ( -2.808 2.532 0.541) 3.820 13.233 ( -0.924 -3.241 0.972) 3.507 14.012 ( 3.900 1.928 1.883) 4.741 14.092 ( -0.625 3.854 -2.921) 4.876 14.234 ( 2.557 -2.653 2.526) 4.467 14.401 ( -2.798 -3.437 -1.139) 4.576 14.686 ( -0.723 7.057 -3.881) 8.086 14.713 ( 5.106 4.883 1.330) 7.189 14.979 ( 2.528 -2.969 8.589) 9.433 15.396 ( 1.119 -8.836 0.678) 8.932 16.136 ( -0.833 4.963 -0.575) 5.065 16.451 ( 0.275 -2.125 -3.052) 3.729 16.471 ( -4.389 -0.199 0.703) 4.449 16.590 ( 3.189 -3.061 -2.509) 5.083 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 5.431 9.324 3.867) 11.462 0.879 ( 7.744 10.556 2.239) 13.282 1.084 ( -2.827 1.209 -2.801) 4.159 1.153 ( 2.937 -1.017 -3.204) 4.464 1.205 ( -4.260 -1.523 -0.114) 4.526 1.231 ( -1.004 0.166 0.476) 1.123 1.312 ( -3.320 -3.194 0.414) 4.625 1.343 ( -2.439 -3.114 1.140) 4.116 1.428 ( -3.292 0.621 -0.310) 3.364 1.507 ( 0.651 -1.019 1.721) 2.104 1.576 ( -2.405 1.073 0.751) 2.738 1.675 ( -0.174 2.146 0.692) 2.261 1.688 ( 3.452 1.917 -1.101) 4.099 1.716 ( -0.208 2.074 2.459) 3.223 1.758 ( -1.559 0.340 1.108) 1.942 1.832 ( 0.899 0.724 0.623) 1.311 2.057 ( -0.585 0.917 -2.014) 2.289 2.148 ( -2.067 0.732 -2.183) 3.094 2.216 ( 3.336 0.181 1.253) 3.568 2.274 ( -1.003 -3.339 -0.937) 3.610 2.320 ( 1.811 -1.428 0.021) 2.307 2.400 ( -2.000 -2.631 -1.439) 3.605 2.495 ( -3.101 -2.450 -0.057) 3.953 2.535 ( 2.555 2.123 -0.103) 3.323 2.633 ( -1.074 -0.213 1.609) 1.946 2.652 ( 0.151 1.142 -0.278) 1.185 2.676 ( -1.842 -0.461 2.803) 3.385 2.791 ( -1.899 -2.624 3.084) 4.472 2.881 ( 2.435 -1.568 -3.783) 4.765 2.965 ( 0.165 -0.320 -0.222) 0.423 3.027 ( 1.182 -0.202 -1.961) 2.298 3.194 ( -1.003 0.710 1.002) 1.586 3.204 ( -2.146 1.097 2.453) 3.439 3.248 ( -2.942 8.128 2.641) 9.038 3.277 ( 0.558 -2.196 -4.883) 5.383 3.418 ( 2.753 1.598 -2.621) 4.124 3.591 ( -0.313 -3.145 -0.768) 3.253 3.617 ( -1.763 -0.957 -1.226) 2.351 3.648 ( 2.559 -0.791 -1.597) 3.118 3.770 ( 1.410 -2.279 -1.245) 2.955 3.810 ( -2.305 0.157 0.513) 2.366 3.883 ( 3.580 -0.926 0.072) 3.698 3.924 ( 2.808 0.973 2.025) 3.596 4.039 ( -0.042 -0.891 0.940) 1.296 4.082 ( -0.334 -0.563 1.754) 1.873 4.171 ( -1.217 -1.228 -1.363) 2.201 4.250 ( -1.861 3.830 1.212) 4.428 4.382 ( -0.900 1.259 -1.899) 2.450 4.426 ( -1.253 4.334 -1.106) 4.645 4.458 ( 1.830 -2.668 0.074) 3.236 4.553 ( -2.627 -2.521 -1.574) 3.967 4.626 ( 0.355 -3.999 1.606) 4.325 4.752 ( 2.338 1.813 0.020) 2.959 4.912 ( 0.229 -0.337 0.186) 0.448 5.049 ( 0.314 0.323 0.453) 0.639 5.105 ( 1.102 0.188 3.890) 4.047 5.410 ( -1.015 0.595 0.169) 1.188 5.542 ( -2.360 0.489 -0.491) 2.460 5.589 ( -0.300 2.800 0.467) 2.855 5.793 ( -4.239 1.066 -1.037) 4.492 7.554 ( 3.008 1.946 -0.534) 3.622 7.594 ( 3.209 2.921 0.131) 4.341 7.771 ( 5.242 1.120 -0.751) 5.413 8.078 ( -1.894 -6.479 4.323) 8.016 8.517 ( -8.731 4.575 -2.174) 10.093 8.697 ( -11.678 1.181 -3.735) 12.317 9.074 ( 2.241 6.276 -3.839) 7.692 9.298 ( 3.380 -1.145 0.967) 3.698 12.181 ( 3.279 3.179 2.350) 5.136 12.530 ( 1.893 -7.166 -0.469) 7.427 12.945 ( -3.859 3.572 0.674) 5.302 13.232 ( -0.670 -3.908 1.559) 4.260 14.051 ( -0.304 2.586 -2.864) 3.871 14.089 ( 2.976 0.956 1.077) 3.306 14.296 ( -1.775 -1.474 0.695) 2.410 14.367 ( 1.780 -4.876 2.229) 5.649 14.583 ( -2.715 5.807 -4.896) 8.066 14.856 ( 7.584 2.352 -1.539) 8.088 15.063 ( -1.728 -0.676 6.645) 6.899 15.445 ( 1.656 -3.576 2.686) 4.769 16.114 ( -0.826 2.700 -0.174) 2.829 16.344 ( -3.915 -2.912 -4.086) 6.364 16.481 ( 1.129 0.215 0.248) 1.175 16.618 ( 2.411 -3.884 -1.334) 4.762 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 6.613 2.084 2.776) 7.469 0.982 ( 2.261 5.306 -0.161) 5.770 1.006 ( -0.492 0.675 -3.549) 3.646 1.099 ( -4.744 -1.632 -0.675) 5.062 1.166 ( -1.489 1.622 -0.051) 2.202 1.220 ( 3.342 -0.323 -2.618) 4.258 1.256 ( -3.949 -1.214 1.428) 4.371 1.306 ( -2.919 -5.065 1.155) 5.959 1.388 ( -1.131 0.399 0.023) 1.199 1.493 ( -1.348 4.831 0.279) 5.023 1.612 ( 1.866 -1.128 1.784) 2.817 1.669 ( -0.368 2.740 -0.282) 2.778 1.722 ( 0.424 0.779 -0.128) 0.896 1.738 ( -1.485 0.025 1.299) 1.973 1.752 ( 1.421 0.142 1.072) 1.786 1.851 ( 0.391 1.889 0.156) 1.936 2.061 ( 1.846 -1.269 -0.080) 2.241 2.097 ( -1.728 -0.935 -0.780) 2.114 2.204 ( -0.168 0.648 -1.962) 2.073 2.288 ( 0.514 -4.991 0.815) 5.083 2.330 ( -3.054 1.046 -2.139) 3.872 2.405 ( 2.785 -2.721 1.496) 4.171 2.416 ( -2.009 -3.862 -0.231) 4.360 2.547 ( 0.266 0.349 -0.871) 0.976 2.634 ( -0.714 -0.487 0.841) 1.206 2.664 ( 0.991 2.558 -0.533) 2.795 2.720 ( -0.521 0.494 3.292) 3.369 2.824 ( 0.539 -4.925 1.586) 5.202 2.898 ( 4.431 -0.553 1.410) 4.683 2.975 ( -0.426 1.736 -0.485) 1.852 3.026 ( 2.617 -0.002 -2.381) 3.538 3.130 ( -7.139 1.903 -0.193) 7.391 3.185 ( -1.031 -0.581 1.439) 1.863 3.214 ( -0.519 0.238 -1.964) 2.045 3.312 ( 4.113 3.929 1.612) 5.912 3.406 ( -1.226 4.033 -2.295) 4.800 3.548 ( -1.472 0.630 -1.499) 2.193 3.577 ( -0.891 -1.152 -1.490) 2.083 3.660 ( 0.549 -2.253 -0.834) 2.465 3.780 ( -1.254 0.294 1.052) 1.663 3.819 ( 2.976 -0.294 -0.398) 3.017 3.928 ( 1.456 -0.021 0.290) 1.485 3.972 ( 0.692 0.210 0.654) 0.975 4.043 ( -0.979 -0.311 0.601) 1.190 4.102 ( 0.640 0.003 1.077) 1.252 4.137 ( -0.678 -4.963 -0.425) 5.027 4.233 ( -1.329 4.238 0.487) 4.468 4.358 ( 0.998 3.012 -1.954) 3.727 4.402 ( -1.229 1.641 0.615) 2.140 4.489 ( 0.031 -2.807 -0.413) 2.838 4.496 ( -0.671 -0.588 -0.385) 0.972 4.634 ( -0.209 -4.969 0.275) 4.981 4.781 ( 1.017 2.375 -0.178) 2.589 4.919 ( 0.208 -0.927 0.216) 0.974 5.057 ( 0.156 0.781 0.260) 0.838 5.135 ( -0.728 2.375 1.603) 2.956 5.426 ( 1.843 -1.934 0.584) 2.735 5.488 ( -2.551 -1.770 -0.721) 3.188 5.594 ( 0.309 3.363 -0.003) 3.377 5.732 ( -1.743 2.208 -0.262) 2.825 7.595 ( 1.554 4.027 0.026) 4.316 7.639 ( 1.755 1.293 -0.057) 2.181 7.810 ( 0.731 0.375 -1.191) 1.447 8.140 ( 2.214 -6.171 4.570) 7.992 8.402 ( -1.776 3.665 -2.303) 4.679 8.484 ( -7.900 0.971 -1.868) 8.176 9.076 ( 0.881 6.428 -1.125) 6.585 9.344 ( 1.100 -1.753 0.373) 2.103 12.248 ( 1.606 2.516 1.162) 3.203 12.553 ( 1.040 -6.438 -0.308) 6.529 12.899 ( -1.847 4.653 0.493) 5.030 13.242 ( -0.000 -4.602 0.895) 4.689 14.020 ( -0.382 1.746 -1.456) 2.305 14.137 ( 1.622 -1.070 0.063) 1.944 14.240 ( -2.513 2.261 0.087) 3.382 14.443 ( 1.608 -5.043 1.698) 5.559 14.517 ( -0.424 4.575 -1.603) 4.866 14.898 ( 1.567 -6.875 -3.285) 7.779 15.110 ( 0.013 8.194 3.863) 9.059 15.484 ( 0.324 1.139 1.173) 1.667 16.110 ( 0.028 1.544 0.437) 1.605 16.257 ( -1.785 -4.009 -2.066) 4.850 16.498 ( 0.577 -0.120 -0.005) 0.590 16.639 ( 0.933 -4.620 -0.345) 4.726 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 10.687 0.000) 10.687 1.026 ( 0.000 12.778 0.000) 12.778 1.051 ( 0.000 -4.926 0.000) 4.926 1.130 ( 0.000 2.454 0.000) 2.454 1.212 ( 0.000 -6.725 0.000) 6.725 1.238 ( 0.000 -4.864 0.000) 4.864 1.313 ( 0.000 0.817 0.000) 0.817 1.315 ( 0.000 -0.138 0.000) 0.138 1.547 ( 0.000 3.498 0.000) 3.498 1.579 ( 0.000 0.791 0.000) 0.791 1.631 ( 0.000 0.399 0.000) 0.399 1.633 ( 0.000 -0.220 0.000) 0.220 1.676 ( 0.000 1.091 0.000) 1.091 1.725 ( 0.000 -2.496 0.000) 2.496 1.805 ( 0.000 1.807 0.000) 1.807 1.819 ( 0.000 0.466 0.000) 0.466 2.113 ( 0.000 3.861 0.000) 3.861 2.196 ( 0.000 -3.653 0.000) 3.653 2.216 ( 0.000 3.075 0.000) 3.075 2.297 ( 0.000 -3.487 0.000) 3.487 2.394 ( 0.000 1.225 0.000) 1.225 2.404 ( 0.000 -1.286 0.000) 1.286 2.492 ( 0.000 6.966 0.000) 6.966 2.525 ( 0.000 1.924 0.000) 1.924 2.569 ( 0.000 -3.312 0.000) 3.312 2.658 ( 0.000 -7.049 0.000) 7.049 2.779 ( 0.000 0.997 0.000) 0.997 2.791 ( 0.000 1.068 0.000) 1.068 2.850 ( 0.000 3.877 0.000) 3.877 3.001 ( 0.000 -7.797 0.000) 7.797 3.004 ( 0.000 2.768 0.000) 2.768 3.090 ( 0.000 -6.267 0.000) 6.267 3.254 ( 0.000 5.025 0.000) 5.025 3.326 ( 0.000 6.409 0.000) 6.409 3.347 ( 0.000 -2.988 0.000) 2.988 3.428 ( 0.000 -4.015 0.000) 4.015 3.481 ( 0.000 2.640 0.000) 2.640 3.536 ( 0.000 -2.066 0.000) 2.066 3.643 ( 0.000 -1.125 0.000) 1.125 3.688 ( 0.000 -3.662 0.000) 3.662 3.806 ( 0.000 2.411 0.000) 2.411 3.848 ( 0.000 -1.665 0.000) 1.665 3.956 ( 0.000 5.641 0.000) 5.641 4.033 ( 0.000 -1.661 0.000) 1.661 4.079 ( 0.000 -0.457 0.000) 0.457 4.095 ( 0.000 -2.155 0.000) 2.155 4.365 ( 0.000 1.471 0.000) 1.471 4.384 ( 0.000 -0.856 0.000) 0.856 4.482 ( 0.000 0.479 0.000) 0.479 4.486 ( 0.000 0.756 0.000) 0.756 4.542 ( 0.000 0.444 0.000) 0.444 4.562 ( 0.000 -2.008 0.000) 2.008 4.763 ( 0.000 4.135 0.000) 4.135 4.846 ( 0.000 -3.694 0.000) 3.694 5.019 ( 0.000 1.076 0.000) 1.076 5.033 ( 0.000 -0.464 0.000) 0.464 5.522 ( 0.000 3.110 0.000) 3.110 5.583 ( 0.000 -2.690 0.000) 2.690 5.695 ( 0.000 6.927 0.000) 6.927 5.833 ( 0.000 -6.430 0.000) 6.430 7.521 ( 0.000 0.540 0.000) 0.540 7.521 ( 0.000 0.560 0.000) 0.560 7.792 ( 0.000 7.218 0.000) 7.218 7.942 ( 0.000 -7.395 0.000) 7.395 8.947 ( 0.000 3.361 0.000) 3.361 9.010 ( 0.000 -2.965 0.000) 2.965 9.103 ( 0.000 3.465 0.000) 3.465 9.171 ( 0.000 -3.010 0.000) 3.010 12.180 ( 0.000 6.228 0.000) 6.228 12.326 ( 0.000 -8.065 0.000) 8.065 13.084 ( 0.000 3.664 0.000) 3.664 13.164 ( 0.000 -4.051 0.000) 4.051 14.035 ( 0.000 4.317 0.000) 4.317 14.122 ( 0.000 -4.161 0.000) 4.161 14.234 ( 0.000 6.022 0.000) 6.022 14.353 ( 0.000 -5.411 0.000) 5.411 14.749 ( 0.000 4.414 0.000) 4.414 14.824 ( 0.000 -3.020 0.000) 3.020 14.917 ( 0.000 11.255 0.000) 11.255 15.160 ( 0.000 -11.942 0.000) 11.942 16.277 ( 0.000 6.572 0.000) 6.572 16.403 ( 0.000 -5.232 0.000) 5.232 16.501 ( 0.000 0.324 0.000) 0.324 16.525 ( 0.000 -1.586 0.000) 1.586 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 4.548 10.391 3.872) 11.985 1.014 ( -2.234 11.998 2.778) 12.516 1.115 ( 2.919 -2.351 2.931) 4.759 1.130 ( 0.213 0.671 0.986) 1.211 1.209 ( -0.538 -5.928 0.526) 5.976 1.221 ( -2.876 -2.860 1.053) 4.191 1.270 ( -1.520 -1.328 -2.925) 3.554 1.297 ( -1.488 -2.221 -1.894) 3.276 1.507 ( -4.112 2.097 -0.613) 4.657 1.534 ( -3.992 0.209 -1.618) 4.312 1.638 ( 0.239 -0.361 0.601) 0.741 1.639 ( 0.354 0.284 0.444) 0.635 1.697 ( 1.713 1.212 1.059) 2.350 1.736 ( 0.972 -1.952 0.409) 2.219 1.781 ( -2.242 3.212 0.721) 3.983 1.825 ( -0.203 -0.639 0.314) 0.740 2.123 ( -0.046 2.568 -0.445) 2.607 2.180 ( -0.418 -1.027 -1.034) 1.516 2.211 ( -0.281 1.045 0.203) 1.101 2.282 ( -0.720 -0.999 -1.828) 2.205 2.336 ( -3.453 0.824 -1.022) 3.694 2.397 ( -1.860 -1.890 -0.178) 2.658 2.503 ( 0.788 1.336 -0.867) 1.777 2.521 ( 1.527 3.829 0.472) 4.149 2.563 ( 1.656 -1.926 -2.907) 3.860 2.660 ( 0.298 -5.625 -0.073) 5.633 2.769 ( -2.108 3.124 2.861) 4.732 2.787 ( -3.405 2.302 1.033) 4.238 2.868 ( -0.387 0.355 -0.525) 0.743 2.939 ( -1.979 -3.866 -0.797) 4.416 3.026 ( 0.961 1.432 -1.352) 2.191 3.100 ( 3.825 -6.141 0.276) 7.241 3.268 ( -1.437 2.653 1.749) 3.487 3.303 ( -0.380 0.604 -1.245) 1.434 3.390 ( 2.491 4.725 1.178) 5.470 3.453 ( -1.075 3.523 -1.885) 4.138 3.468 ( 3.094 -3.942 -0.545) 5.041 3.551 ( 1.477 -4.329 0.743) 4.634 3.648 ( 0.433 0.199 -0.780) 0.914 3.702 ( 1.552 -3.657 -1.344) 4.194 3.809 ( 0.911 1.388 0.788) 1.837 3.835 ( 0.032 -1.070 -0.738) 1.300 3.943 ( 0.018 3.831 -1.469) 4.103 4.007 ( -0.763 -2.471 -2.099) 3.331 4.085 ( -0.437 1.572 2.559) 3.035 4.131 ( 0.410 -2.594 2.270) 3.471 4.350 ( -1.192 2.587 -0.051) 2.849 4.389 ( 0.001 -1.521 -0.267) 1.544 4.469 ( -0.153 2.208 -0.860) 2.374 4.509 ( 0.552 -1.621 0.265) 1.733 4.520 ( -1.080 1.318 0.011) 1.704 4.557 ( -0.918 -2.424 -0.031) 2.592 4.781 ( 1.564 4.151 0.542) 4.469 4.863 ( 1.081 -3.490 0.664) 3.713 5.037 ( 1.759 0.552 0.675) 1.963 5.041 ( 0.955 -0.079 0.157) 0.971 5.498 ( -3.033 3.032 0.602) 4.331 5.559 ( -3.001 -2.797 0.620) 4.149 5.692 ( -0.644 6.230 0.392) 6.276 5.811 ( -2.340 -5.246 0.124) 5.745 7.543 ( 2.825 1.240 -0.423) 3.114 7.556 ( 3.568 0.142 0.221) 3.577 7.800 ( 0.456 6.432 0.737) 6.490 7.939 ( -0.970 -7.095 1.153) 7.254 8.818 ( -11.463 3.813 -1.038) 12.125 8.884 ( -9.781 -2.745 -1.681) 10.297 9.170 ( 4.191 2.048 -3.455) 5.804 9.199 ( 4.445 -0.945 -0.610) 4.585 12.205 ( 1.991 5.887 1.146) 6.320 12.343 ( 1.578 -7.636 0.487) 7.812 13.067 ( -1.935 3.926 0.296) 4.387 13.153 ( -1.343 -4.336 0.529) 4.570 14.069 ( 2.585 3.381 0.922) 4.354 14.133 ( 0.554 -1.902 -1.047) 2.240 14.220 ( 0.078 3.352 0.568) 3.400 14.314 ( -2.460 -4.830 -1.189) 5.550 14.778 ( 1.143 3.655 -3.617) 5.267 14.824 ( 3.920 0.883 -4.738) 6.212 14.995 ( 2.757 6.918 9.074) 11.739 15.194 ( 2.536 -10.631 4.003) 11.639 16.250 ( -2.233 5.979 -1.143) 6.484 16.367 ( -3.020 -5.270 -1.843) 6.348 16.491 ( -0.454 1.512 0.268) 1.601 16.531 ( 1.211 -2.467 -1.058) 2.945 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.923 9.586 2.858) 10.046 1.085 ( 2.557 7.314 1.351) 7.865 1.110 ( -3.999 1.011 0.412) 4.146 1.141 ( -3.213 -0.073 -0.451) 3.246 1.181 ( 0.477 0.154 1.519) 1.600 1.197 ( -1.445 -4.012 -1.197) 4.429 1.230 ( -0.949 -3.045 -1.972) 3.750 1.278 ( 0.275 -3.920 1.571) 4.232 1.429 ( -3.580 -0.430 0.936) 3.725 1.454 ( -0.503 -2.239 -1.927) 2.997 1.625 ( -1.876 2.711 1.667) 3.695 1.670 ( 0.362 -1.549 2.128) 2.657 1.737 ( 1.750 1.656 -1.038) 2.623 1.759 ( 0.445 -0.345 0.199) 0.598 1.760 ( -0.950 2.813 1.586) 3.366 1.818 ( -0.518 -2.382 0.719) 2.541 2.088 ( -2.224 2.342 -0.391) 3.254 2.162 ( -1.313 -4.706 0.075) 4.887 2.199 ( -0.889 3.732 -1.864) 4.265 2.250 ( 0.513 0.674 -2.800) 2.925 2.298 ( -0.257 -0.598 0.811) 1.040 2.351 ( -3.018 -3.356 0.304) 4.523 2.483 ( -0.120 2.359 -4.070) 4.705 2.553 ( 1.264 -2.447 -4.012) 4.867 2.617 ( 4.266 0.958 5.204) 6.796 2.678 ( 1.379 -3.621 1.852) 4.294 2.716 ( -4.071 4.696 0.715) 6.256 2.774 ( -1.495 6.095 3.379) 7.127 2.811 ( -2.334 -4.281 -0.921) 4.962 2.926 ( 0.006 -6.083 0.479) 6.101 3.068 ( 2.722 4.447 -1.303) 5.374 3.151 ( 0.998 -3.385 -0.461) 3.558 3.242 ( -2.940 1.272 -0.087) 3.204 3.253 ( -2.053 -0.344 -3.379) 3.969 3.414 ( -0.217 6.325 0.003) 6.328 3.453 ( 4.238 2.314 -1.795) 5.152 3.517 ( 2.635 -2.612 0.121) 3.712 3.575 ( -0.617 -4.117 0.248) 4.170 3.652 ( 2.553 1.731 -1.803) 3.573 3.707 ( 2.277 -3.427 -1.091) 4.256 3.836 ( -0.810 1.818 0.878) 2.175 3.867 ( 2.764 -1.025 1.194) 3.180 3.943 ( 1.455 1.122 -0.757) 1.987 3.984 ( 0.755 -3.070 -1.535) 3.515 4.092 ( -1.824 1.446 1.945) 3.033 4.130 ( -2.113 -2.198 0.367) 3.071 4.331 ( -1.943 3.353 1.753) 4.254 4.383 ( -1.454 -1.782 1.501) 2.747 4.454 ( 1.156 2.205 -2.389) 3.451 4.483 ( -0.698 0.769 -2.378) 2.595 4.514 ( -1.292 -0.476 0.368) 1.425 4.551 ( -0.238 -3.027 0.297) 3.050 4.817 ( 1.698 3.661 0.378) 4.053 4.884 ( 0.346 -2.539 0.669) 2.649 5.066 ( 1.515 1.405 0.485) 2.122 5.096 ( 2.883 -1.176 1.664) 3.531 5.441 ( -3.723 2.394 0.389) 4.443 5.499 ( -4.346 -3.056 0.508) 5.337 5.683 ( -0.677 4.884 0.242) 4.936 5.767 ( -2.439 -3.075 0.010) 3.925 7.602 ( 4.704 2.461 -1.335) 5.474 7.633 ( 4.106 -0.009 0.563) 4.145 7.824 ( 1.043 4.564 0.913) 4.770 7.943 ( -1.030 -6.630 3.602) 7.615 8.603 ( -9.693 3.868 -2.710) 10.782 8.672 ( -10.605 -2.736 -3.233) 11.420 9.191 ( 2.263 4.714 -2.055) 5.618 9.263 ( 2.895 -2.478 -0.206) 3.817 12.264 ( 2.762 5.076 1.595) 5.995 12.385 ( 2.250 -6.741 0.725) 7.143 13.032 ( -2.346 4.927 0.620) 5.492 13.137 ( -1.325 -5.175 1.044) 5.443 14.100 ( -1.133 1.767 -2.309) 3.120 14.109 ( 0.936 0.707 -0.376) 1.232 14.269 ( 1.042 -0.768 1.749) 2.176 14.287 ( 1.075 -2.625 1.698) 3.307 14.704 ( -1.491 5.864 -5.924) 8.468 14.815 ( 0.867 -4.732 -5.951) 7.652 15.164 ( 4.805 8.210 8.073) 12.477 15.330 ( 5.063 -7.382 6.003) 10.779 16.188 ( -2.779 4.224 -1.458) 5.262 16.274 ( -4.184 -3.987 -2.698) 6.379 16.496 ( 0.452 1.405 0.285) 1.503 16.542 ( 1.115 -3.149 -0.679) 3.409 ======================= Grid point 24 (16/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -2.899 1.426 1.137) 3.425 1.017 ( -2.446 0.591 -1.803) 3.095 1.068 ( 1.102 3.372 -1.084) 3.709 1.109 ( -1.716 1.098 0.194) 2.047 1.177 ( 0.057 -2.219 -0.389) 2.253 1.195 ( -1.067 -3.636 0.092) 3.790 1.234 ( 1.328 3.983 -0.437) 4.221 1.266 ( -1.554 0.082 0.612) 1.673 1.403 ( -0.151 1.789 1.061) 2.085 1.503 ( 2.424 -6.317 1.542) 6.940 1.616 ( -0.924 4.430 1.285) 4.704 1.690 ( -0.128 -2.238 0.992) 2.451 1.724 ( -0.744 1.394 -1.487) 2.170 1.751 ( 0.047 -0.462 -0.465) 0.657 1.775 ( -0.091 3.143 1.206) 3.368 1.836 ( 0.813 -2.492 0.509) 2.671 2.059 ( -0.930 1.761 0.307) 2.015 2.141 ( -1.018 -3.840 0.215) 3.979 2.176 ( 0.099 3.880 -0.688) 3.941 2.236 ( 0.914 2.177 -2.065) 3.137 2.312 ( -1.163 -4.694 -0.319) 4.846 2.313 ( -0.512 -5.139 1.619) 5.412 2.424 ( -1.239 4.620 -2.051) 5.205 2.521 ( -0.176 -3.751 -2.410) 4.462 2.675 ( -1.177 2.647 0.176) 2.902 2.717 ( 0.310 -2.070 2.849) 3.535 2.742 ( 1.340 1.194 1.808) 2.547 2.754 ( -0.534 4.506 1.175) 4.687 2.877 ( 5.957 -1.381 3.845) 7.224 2.942 ( 1.090 -5.258 0.175) 5.373 3.042 ( -1.820 2.244 -2.774) 4.006 3.094 ( -5.122 -2.917 -3.552) 6.882 3.185 ( -1.095 0.576 -0.503) 1.336 3.201 ( -0.764 -0.879 -1.319) 1.760 3.454 ( 2.500 5.872 1.011) 6.461 3.479 ( 0.918 2.803 -1.396) 3.263 3.557 ( 0.997 -1.006 0.581) 1.531 3.563 ( -0.246 -0.590 0.407) 0.757 3.670 ( 1.950 5.040 -2.116) 5.804 3.786 ( 5.159 -3.340 0.694) 6.185 3.803 ( -2.511 1.998 0.372) 3.230 3.895 ( -1.213 -6.786 0.173) 6.896 3.956 ( 0.789 0.597 -0.268) 1.025 3.985 ( -0.144 -1.880 -1.177) 2.223 4.083 ( -0.646 0.490 0.970) 1.265 4.101 ( -1.018 -1.127 0.863) 1.747 4.318 ( -1.046 3.585 0.586) 3.780 4.373 ( -0.705 -1.570 0.485) 1.788 4.446 ( -0.521 2.121 -1.275) 2.529 4.465 ( 0.724 0.036 -0.030) 0.725 4.498 ( -0.406 0.768 -0.207) 0.893 4.541 ( -0.425 -3.533 -0.354) 3.576 4.842 ( 0.805 2.930 0.022) 3.039 4.891 ( -0.015 -1.889 0.342) 1.920 5.095 ( 0.880 2.864 0.373) 3.020 5.150 ( 1.152 -1.522 0.981) 2.146 5.399 ( -0.930 0.263 0.010) 0.967 5.436 ( -2.728 -2.756 0.001) 3.878 5.676 ( -0.261 3.918 0.040) 3.927 5.736 ( -1.010 -1.658 -0.007) 1.941 7.661 ( 3.496 2.309 -1.598) 4.484 7.684 ( 0.460 1.047 0.821) 1.408 7.845 ( 0.373 4.606 0.472) 4.645 7.988 ( 0.890 -8.147 3.172) 8.788 8.460 ( -3.098 2.101 -1.797) 4.152 8.488 ( -6.034 -0.628 -1.954) 6.374 9.203 ( 0.757 5.593 -0.557) 5.671 9.294 ( 0.898 -3.335 -0.008) 3.453 12.317 ( 1.328 4.341 0.769) 4.604 12.423 ( 1.096 -6.033 0.334) 6.141 13.008 ( -1.012 5.953 0.430) 6.054 13.132 ( -0.435 -6.007 0.625) 6.055 14.062 ( -0.746 2.221 -1.047) 2.566 14.105 ( -0.197 -1.940 -0.569) 2.031 14.287 ( 0.264 2.348 0.936) 2.542 14.346 ( 1.406 -3.742 1.403) 4.237 14.634 ( -0.700 6.087 -2.612) 6.661 14.760 ( -0.355 -6.429 -3.088) 7.141 15.296 ( 2.372 9.054 3.239) 9.904 15.445 ( 2.123 -4.993 2.438) 5.949 16.144 ( -0.823 1.830 -0.381) 2.042 16.189 ( -2.299 -2.694 -1.562) 3.871 16.506 ( 0.289 1.118 0.100) 1.159 16.552 ( 0.456 -3.473 -0.189) 3.507 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( -0.249 0.000 15.323) 15.325 0.349 ( -2.123 0.000 16.496) 16.632 0.594 ( -1.832 0.000 26.598) 26.661 1.094 ( -0.393 0.000 -5.136) 5.151 1.112 ( -1.941 0.000 -7.095) 7.356 1.275 ( 5.843 0.000 -2.969) 6.554 1.285 ( 3.530 0.000 3.817) 5.199 1.338 ( 0.583 0.000 2.849) 2.908 1.414 ( -0.279 0.000 0.649) 0.707 1.514 ( 2.906 0.000 1.082) 3.101 1.631 ( -2.333 0.000 -3.691) 4.366 1.717 ( -0.617 0.000 1.021) 1.193 1.744 ( 0.694 0.000 -3.664) 3.730 1.747 ( -3.173 0.000 -0.863) 3.289 1.775 ( -0.413 0.000 0.194) 0.456 1.781 ( 0.337 0.000 -0.593) 0.682 2.085 ( 8.031 0.000 -0.541) 8.049 2.102 ( -5.990 0.000 -3.142) 6.764 2.212 ( 0.986 0.000 -1.166) 1.527 2.235 ( -1.877 0.000 -0.531) 1.951 2.398 ( 1.635 0.000 1.517) 2.231 2.512 ( 0.746 0.000 -0.924) 1.188 2.523 ( -0.039 0.000 1.950) 1.950 2.573 ( -0.344 0.000 -4.670) 4.683 2.671 ( 3.260 0.000 5.360) 6.273 2.705 ( 1.293 0.000 -1.729) 2.159 2.722 ( -1.160 0.000 -2.392) 2.658 2.747 ( 0.446 0.000 4.113) 4.137 2.846 ( -4.718 0.000 3.214) 5.708 2.991 ( -0.275 0.000 -5.371) 5.378 3.011 ( -1.831 0.000 -0.216) 1.844 3.119 ( 0.180 0.000 -3.473) 3.477 3.194 ( -1.878 0.000 -0.168) 1.886 3.317 ( 2.550 0.000 2.437) 3.527 3.448 ( -8.945 0.000 0.751) 8.976 3.449 ( 3.210 0.000 0.543) 3.256 3.510 ( -3.785 0.000 0.476) 3.815 3.609 ( 4.963 0.000 -5.013) 7.055 3.754 ( 2.505 0.000 0.489) 2.552 3.781 ( 6.893 0.000 3.854) 7.897 3.854 ( 2.059 0.000 -1.968) 2.848 3.869 ( -3.124 0.000 -0.566) 3.175 3.922 ( 0.726 0.000 2.182) 2.300 3.938 ( -1.872 0.000 2.139) 2.842 4.008 ( 0.556 0.000 5.639) 5.666 4.189 ( -2.721 0.000 -2.852) 3.942 4.305 ( -1.875 0.000 -3.343) 3.833 4.349 ( -8.396 0.000 -2.533) 8.770 4.410 ( -0.754 0.000 2.311) 2.431 4.487 ( 1.607 0.000 0.405) 1.657 4.634 ( -2.075 0.000 0.684) 2.185 4.749 ( -0.727 0.000 -3.239) 3.319 4.903 ( -1.213 0.000 -0.011) 1.213 4.924 ( 3.075 0.000 1.399) 3.378 5.097 ( -0.020 0.000 -0.337) 0.337 5.153 ( 21.925 0.000 -0.862) 21.942 5.345 ( 3.208 0.000 2.741) 4.220 5.424 ( -2.113 0.000 3.047) 3.708 5.583 ( -1.739 0.000 -2.951) 3.425 5.686 ( -24.944 0.000 -2.502) 25.070 7.392 ( 0.895 0.000 -0.792) 1.195 7.515 ( 1.644 0.000 -2.594) 3.071 7.571 ( -1.908 0.000 7.187) 7.436 8.149 ( 6.785 0.000 -8.725) 11.052 8.440 ( 0.254 0.000 6.497) 6.502 8.817 ( -13.921 0.000 -3.887) 14.454 9.039 ( -4.358 0.000 2.169) 4.868 9.140 ( 4.931 0.000 -0.162) 4.933 12.043 ( -0.453 0.000 4.869) 4.890 12.605 ( 2.525 0.000 -9.930) 10.246 13.138 ( -2.265 0.000 5.772) 6.200 13.280 ( 1.567 0.000 0.223) 1.583 13.935 ( 8.168 0.000 0.715) 8.199 14.001 ( -2.767 0.000 -0.943) 2.923 14.266 ( 2.256 0.000 2.443) 3.326 14.421 ( 0.282 0.000 0.839) 0.885 14.482 ( 1.798 0.000 -0.421) 1.846 14.665 ( -3.545 0.000 -2.393) 4.277 15.465 ( 36.923 0.000 1.335) 36.947 15.606 ( -1.330 0.000 -1.947) 2.358 16.155 ( 0.999 0.000 1.370) 1.695 16.254 ( -37.899 0.000 -0.950) 37.911 16.448 ( -1.196 0.000 1.447) 1.877 16.583 ( -0.251 0.000 -1.507) 1.528 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 3.638 0.000 13.252) 13.743 0.585 ( 10.368 0.000 12.330) 16.110 0.908 ( 6.186 0.000 6.992) 9.335 1.019 ( -0.284 0.000 -8.120) 8.125 1.070 ( 5.783 0.000 -0.718) 5.827 1.345 ( 0.014 0.000 1.698) 1.698 1.349 ( 4.333 0.000 -0.559) 4.369 1.414 ( -0.236 0.000 0.067) 0.245 1.444 ( 4.495 0.000 5.173) 6.853 1.479 ( -8.617 0.000 -4.691) 9.811 1.571 ( 1.507 0.000 3.964) 4.241 1.648 ( -5.934 0.000 -2.420) 6.409 1.689 ( -2.865 0.000 0.275) 2.878 1.724 ( 1.118 0.000 -1.397) 1.789 1.774 ( -1.410 0.000 0.248) 1.432 1.779 ( 2.773 0.000 -4.153) 4.994 1.983 ( -2.091 0.000 -2.906) 3.580 2.178 ( -0.016 0.000 -0.219) 0.220 2.219 ( 0.749 0.000 -0.048) 0.750 2.256 ( 7.708 0.000 -1.492) 7.851 2.424 ( -0.258 0.000 3.490) 3.499 2.496 ( -3.976 0.000 -0.606) 4.022 2.530 ( 1.772 0.000 0.041) 1.773 2.534 ( 0.810 0.000 -2.479) 2.608 2.631 ( -4.497 0.000 -6.209) 7.666 2.671 ( -1.245 0.000 -0.792) 1.476 2.744 ( -3.697 0.000 0.899) 3.805 2.783 ( 2.311 0.000 3.790) 4.439 2.847 ( 2.847 0.000 4.654) 5.456 3.007 ( 1.762 0.000 -1.676) 2.432 3.038 ( 2.531 0.000 0.913) 2.691 3.078 ( 0.663 0.000 -4.702) 4.748 3.164 ( -1.894 0.000 1.115) 2.198 3.284 ( -5.311 0.000 -1.100) 5.424 3.343 ( -5.852 0.000 2.170) 6.242 3.429 ( -3.853 0.000 -1.426) 4.109 3.533 ( 5.493 0.000 1.926) 5.821 3.665 ( 4.180 0.000 -1.931) 4.605 3.761 ( -1.083 0.000 -2.107) 2.369 3.807 ( -3.557 0.000 -1.000) 3.695 3.869 ( 2.982 0.000 -0.542) 3.031 3.905 ( -5.005 0.000 3.285) 5.986 3.915 ( 2.794 0.000 -0.146) 2.798 3.965 ( 0.675 0.000 4.281) 4.334 4.087 ( -3.191 0.000 -1.217) 3.415 4.089 ( 1.218 0.000 4.443) 4.607 4.251 ( -0.952 0.000 -1.328) 1.634 4.266 ( -0.697 0.000 -0.875) 1.118 4.411 ( -0.705 0.000 0.973) 1.201 4.536 ( 2.631 0.000 1.224) 2.902 4.596 ( -2.339 0.000 -0.508) 2.394 4.695 ( -2.603 0.000 -1.372) 2.942 4.875 ( -1.370 0.000 -0.757) 1.566 4.984 ( 2.134 0.000 0.789) 2.275 5.075 ( -0.066 0.000 -2.877) 2.878 5.260 ( -12.312 0.000 1.200) 12.370 5.408 ( 7.010 0.000 -3.690) 7.921 5.414 ( -0.179 0.000 1.545) 1.556 5.479 ( 2.239 0.000 7.920) 8.230 5.577 ( -0.667 0.000 -1.632) 1.763 7.437 ( 3.976 0.000 -0.918) 4.081 7.556 ( 5.739 0.000 -2.389) 6.217 7.623 ( 0.284 0.000 2.326) 2.344 8.170 ( 6.331 0.000 -8.398) 10.517 8.519 ( -1.710 0.000 9.466) 9.619 8.557 ( -12.261 0.000 -1.728) 12.382 8.981 ( -3.545 0.000 0.382) 3.566 9.245 ( 5.810 0.000 0.468) 5.829 12.116 ( 1.571 0.000 6.185) 6.381 12.547 ( 4.063 0.000 -10.987) 11.714 13.099 ( -7.903 0.000 5.770) 9.785 13.308 ( 0.951 0.000 0.731) 1.199 13.953 ( -0.603 0.000 -1.996) 2.085 14.039 ( 3.941 0.000 0.080) 3.942 14.370 ( 4.587 0.000 3.710) 5.900 14.413 ( -0.323 0.000 -1.143) 1.188 14.529 ( -5.975 0.000 -4.543) 7.506 14.594 ( 8.093 0.000 1.333) 8.202 15.504 ( -5.754 0.000 -5.044) 7.652 15.625 ( -14.696 0.000 5.288) 15.619 16.059 ( 12.748 0.000 -5.730) 13.976 16.161 ( -3.073 0.000 2.554) 3.996 16.497 ( 1.501 0.000 2.946) 3.307 16.611 ( 4.735 0.000 -0.679) 4.783 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 8.921 0.000 8.430) 12.274 0.894 ( 9.839 0.000 8.425) 12.953 0.918 ( 2.073 0.000 -8.380) 8.632 0.978 ( 5.839 0.000 -4.397) 7.310 1.182 ( 3.998 0.000 -3.197) 5.119 1.273 ( -8.826 0.000 -2.639) 9.212 1.361 ( -3.284 0.000 -1.651) 3.676 1.368 ( -1.525 0.000 5.466) 5.675 1.425 ( 0.736 0.000 0.461) 0.869 1.502 ( -0.263 0.000 0.413) 0.490 1.529 ( -3.274 0.000 -2.027) 3.850 1.646 ( -0.951 0.000 3.097) 3.240 1.653 ( -0.829 0.000 -0.178) 0.848 1.744 ( -2.416 0.000 1.456) 2.821 1.758 ( 1.919 0.000 1.912) 2.709 1.770 ( 1.765 0.000 -4.235) 4.588 1.993 ( 4.796 0.000 -0.084) 4.796 2.172 ( 0.089 0.000 0.323) 0.335 2.245 ( 0.761 0.000 2.237) 2.363 2.386 ( -8.587 0.000 -0.514) 8.603 2.397 ( 7.613 0.000 2.204) 7.926 2.471 ( 1.896 0.000 0.649) 2.004 2.500 ( -1.489 0.000 -5.615) 5.809 2.533 ( 3.386 0.000 -3.269) 4.707 2.574 ( 2.630 0.000 0.741) 2.733 2.653 ( -0.248 0.000 -0.005) 0.248 2.727 ( -0.987 0.000 1.143) 1.511 2.847 ( -0.326 0.000 3.139) 3.156 2.905 ( -0.362 0.000 3.025) 3.047 3.007 ( -0.851 0.000 -0.173) 0.869 3.028 ( -1.764 0.000 -0.573) 1.855 3.075 ( 1.644 0.000 -1.791) 2.431 3.150 ( -1.850 0.000 1.631) 2.467 3.169 ( -5.996 0.000 -0.957) 6.072 3.242 ( -3.111 0.000 -4.967) 5.860 3.412 ( -0.167 0.000 4.042) 4.046 3.656 ( 5.431 0.000 2.099) 5.823 3.688 ( 1.331 0.000 -2.067) 2.459 3.712 ( -3.979 0.000 -2.686) 4.801 3.733 ( 2.031 0.000 -4.226) 4.689 3.810 ( -6.928 0.000 1.934) 7.193 3.896 ( 2.284 0.000 -2.292) 3.235 3.930 ( -0.620 0.000 -1.134) 1.293 4.022 ( -0.242 0.000 3.273) 3.282 4.070 ( -1.522 0.000 3.906) 4.192 4.118 ( 0.211 0.000 -0.260) 0.335 4.254 ( -2.559 0.000 5.490) 6.057 4.271 ( 1.666 0.000 -0.765) 1.833 4.424 ( 1.923 0.000 0.313) 1.948 4.548 ( -1.008 0.000 -2.380) 2.584 4.596 ( 1.760 0.000 1.934) 2.615 4.630 ( -3.884 0.000 -0.026) 3.884 4.850 ( 0.056 0.000 -1.079) 1.080 5.004 ( 1.168 0.000 -2.600) 2.850 5.056 ( 1.705 0.000 -2.589) 3.100 5.091 ( -8.096 0.000 0.865) 8.142 5.419 ( -1.034 0.000 1.608) 1.912 5.486 ( 5.693 0.000 -3.573) 6.722 5.554 ( 0.042 0.000 -1.109) 1.110 5.584 ( -0.688 0.000 7.532) 7.563 7.510 ( 4.341 0.000 1.069) 4.470 7.635 ( -0.871 0.000 1.424) 1.670 7.642 ( 6.406 0.000 -2.047) 6.725 8.184 ( 5.506 0.000 -7.946) 9.667 8.355 ( -9.311 0.000 -0.536) 9.327 8.557 ( -5.186 0.000 6.848) 8.590 8.949 ( -1.155 0.000 2.423) 2.684 9.331 ( 4.024 0.000 -0.637) 4.074 12.210 ( 1.029 0.000 5.600) 5.694 12.513 ( 6.012 0.000 -10.920) 12.466 13.019 ( -8.513 0.000 6.307) 10.595 13.327 ( 0.893 0.000 -0.273) 0.934 13.943 ( 1.742 0.000 -1.477) 2.284 14.098 ( 2.077 0.000 1.310) 2.455 14.314 ( -7.554 0.000 -2.131) 7.848 14.386 ( -1.426 0.000 -0.684) 1.582 14.574 ( 8.029 0.000 2.773) 8.494 14.735 ( 7.637 0.000 -2.166) 7.938 15.321 ( -6.648 0.000 -6.846) 9.543 15.459 ( -11.349 0.000 6.325) 12.992 16.119 ( -4.047 0.000 2.058) 4.540 16.185 ( 10.095 0.000 -8.007) 12.885 16.555 ( 0.272 0.000 5.012) 5.019 16.704 ( 4.313 0.000 1.775) 4.664 ======================= Grid point 52 (20/72) ======================= q-point: ( 0.43 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 8.370 0.000 -4.493) 9.500 0.921 ( -0.249 0.000 1.764) 1.781 1.046 ( 7.692 0.000 -0.422) 7.704 1.114 ( -0.535 0.000 2.662) 2.716 1.148 ( -4.344 0.000 1.437) 4.576 1.204 ( 6.111 0.000 -3.989) 7.297 1.273 ( 0.509 0.000 1.831) 1.901 1.367 ( -5.246 0.000 3.565) 6.342 1.413 ( -2.202 0.000 -0.492) 2.256 1.490 ( -2.244 0.000 2.226) 3.161 1.501 ( 0.342 0.000 0.334) 0.478 1.603 ( -2.327 0.000 -2.745) 3.598 1.659 ( 1.162 0.000 -0.099) 1.166 1.723 ( -2.247 0.000 1.346) 2.619 1.765 ( 1.759 0.000 -1.372) 2.230 1.789 ( -0.626 0.000 1.072) 1.242 2.127 ( 8.445 0.000 2.452) 8.794 2.181 ( 0.058 0.000 0.368) 0.372 2.238 ( -7.963 0.000 1.493) 8.102 2.262 ( -0.938 0.000 -0.346) 1.000 2.450 ( 2.098 0.000 -4.161) 4.660 2.453 ( -1.969 0.000 -1.185) 2.298 2.526 ( 4.634 0.000 -4.187) 6.246 2.588 ( -2.321 0.000 -3.934) 4.568 2.593 ( 5.539 0.000 -0.231) 5.543 2.655 ( 0.509 0.000 0.747) 0.904 2.717 ( -0.878 0.000 -0.027) 0.878 2.809 ( -4.644 0.000 4.082) 6.183 2.929 ( -3.001 0.000 0.223) 3.009 2.998 ( -2.980 0.000 2.362) 3.803 3.012 ( 2.498 0.000 2.616) 3.618 3.074 ( -2.419 0.000 -1.863) 3.053 3.084 ( 1.829 0.000 -1.632) 2.451 3.103 ( -1.524 0.000 -2.569) 2.987 3.220 ( 2.471 0.000 1.544) 2.913 3.457 ( -0.685 0.000 4.197) 4.252 3.643 ( -1.292 0.000 -0.785) 1.511 3.683 ( 2.563 0.000 -4.627) 5.290 3.717 ( 0.068 0.000 -2.056) 2.057 3.756 ( -2.019 0.000 3.499) 4.040 3.759 ( 3.860 0.000 0.903) 3.964 3.901 ( -0.199 0.000 -1.342) 1.356 3.904 ( 1.444 0.000 -2.532) 2.914 4.003 ( -2.212 0.000 -2.015) 2.993 4.098 ( -2.208 0.000 6.859) 7.205 4.131 ( 1.019 0.000 1.115) 1.511 4.231 ( -5.644 0.000 3.557) 6.671 4.283 ( 0.606 0.000 -1.367) 1.495 4.486 ( 2.142 0.000 2.050) 2.965 4.510 ( 0.559 0.000 -4.011) 4.050 4.577 ( -2.066 0.000 1.710) 2.682 4.631 ( -0.353 0.000 2.154) 2.183 4.861 ( 2.703 0.000 -1.514) 3.098 4.989 ( 1.657 0.000 -4.905) 5.177 4.989 ( -3.510 0.000 -0.494) 3.545 5.059 ( 0.596 0.000 -1.245) 1.380 5.414 ( -1.433 0.000 1.321) 1.949 5.522 ( 1.918 0.000 -1.227) 2.277 5.573 ( 2.845 0.000 -0.044) 2.845 5.609 ( -4.065 0.000 4.805) 6.294 7.583 ( -0.816 0.000 3.596) 3.687 7.649 ( 2.562 0.000 1.139) 2.804 7.715 ( 3.931 0.000 -1.416) 4.179 8.184 ( 4.387 0.000 -8.010) 9.133 8.247 ( -3.333 0.000 1.957) 3.865 8.485 ( -6.348 0.000 -0.017) 6.348 8.992 ( -0.532 0.000 6.765) 6.786 9.365 ( 1.461 0.000 -1.886) 2.386 12.245 ( -2.591 0.000 2.646) 3.703 12.520 ( 8.067 0.000 -10.250) 13.043 12.955 ( -7.046 0.000 7.231) 10.096 13.320 ( -0.039 0.000 -2.842) 2.842 13.987 ( 3.212 0.000 1.500) 3.545 14.129 ( -0.383 0.000 0.898) 0.977 14.216 ( -2.153 0.000 1.275) 2.502 14.363 ( -0.525 0.000 0.386) 0.652 14.684 ( 1.019 0.000 -1.439) 1.763 14.785 ( 3.662 0.000 -7.129) 8.015 15.206 ( 1.654 0.000 -1.978) 2.578 15.350 ( -7.982 0.000 3.304) 8.638 16.081 ( -2.372 0.000 1.575) 2.847 16.252 ( 7.065 0.000 -6.333) 9.488 16.619 ( -0.533 0.000 7.498) 7.517 16.771 ( 0.301 0.000 2.515) 2.533 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -10.858 0.000 -1.415) 10.950 0.928 ( -12.490 0.000 -2.026) 12.654 1.093 ( 10.952 0.000 -2.100) 11.152 1.166 ( 1.723 0.000 6.822) 7.037 1.201 ( 7.068 0.000 0.619) 7.095 1.253 ( -5.114 0.000 2.814) 5.837 1.269 ( -4.747 0.000 -1.403) 4.950 1.349 ( -1.589 0.000 -3.254) 3.621 1.383 ( 1.929 0.000 2.804) 3.403 1.508 ( 0.621 0.000 2.353) 2.434 1.519 ( -1.773 0.000 -4.911) 5.221 1.555 ( 3.836 0.000 3.680) 5.316 1.668 ( -3.051 0.000 -2.864) 4.184 1.674 ( 0.445 0.000 0.249) 0.510 1.785 ( -0.596 0.000 1.370) 1.494 1.804 ( 2.705 0.000 0.530) 2.756 2.157 ( -5.470 0.000 4.619) 7.159 2.159 ( -3.118 0.000 -0.885) 3.241 2.234 ( -0.240 0.000 1.174) 1.199 2.304 ( 5.991 0.000 2.963) 6.684 2.342 ( -4.357 0.000 -3.814) 5.791 2.460 ( -3.586 0.000 -5.126) 6.255 2.480 ( 7.134 0.000 -4.585) 8.481 2.540 ( 3.883 0.000 -5.114) 6.421 2.663 ( -0.922 0.000 0.499) 1.048 2.685 ( 2.848 0.000 -0.722) 2.939 2.707 ( -0.188 0.000 3.264) 3.269 2.810 ( -1.798 0.000 1.175) 2.147 2.847 ( -3.318 0.000 -1.240) 3.542 2.978 ( -1.548 0.000 2.817) 3.214 3.040 ( -1.972 0.000 0.443) 2.021 3.054 ( 1.960 0.000 -1.777) 2.646 3.076 ( 1.725 0.000 -1.641) 2.381 3.125 ( 4.516 0.000 -0.813) 4.589 3.335 ( 4.451 0.000 4.878) 6.604 3.479 ( -2.087 0.000 4.962) 5.383 3.637 ( -2.362 0.000 -6.266) 6.697 3.656 ( 1.751 0.000 2.351) 2.932 3.698 ( 0.751 0.000 -2.048) 2.182 3.788 ( 0.603 0.000 2.214) 2.294 3.821 ( 2.377 0.000 0.716) 2.482 3.860 ( -1.943 0.000 -4.918) 5.288 3.918 ( 3.017 0.000 -0.344) 3.036 3.948 ( -0.741 0.000 -2.216) 2.336 4.142 ( -2.597 0.000 9.009) 9.376 4.147 ( -4.511 0.000 1.949) 4.915 4.193 ( 1.414 0.000 2.497) 2.870 4.263 ( -0.586 0.000 -1.722) 1.819 4.475 ( 1.284 0.000 -5.477) 5.625 4.481 ( -2.451 0.000 0.091) 2.452 4.630 ( 2.516 0.000 3.856) 4.604 4.638 ( -1.142 0.000 2.161) 2.444 4.892 ( 3.087 0.000 -3.130) 4.396 4.940 ( -2.431 0.000 1.558) 2.887 4.969 ( 2.434 0.000 -6.724) 7.151 5.051 ( 0.443 0.000 -1.194) 1.273 5.396 ( -2.159 0.000 0.838) 2.316 5.544 ( 1.819 0.000 -0.592) 1.912 5.561 ( -5.369 0.000 2.164) 5.789 5.637 ( 2.689 0.000 3.047) 4.064 7.561 ( -4.674 0.000 2.993) 5.550 7.728 ( 2.306 0.000 3.056) 3.829 7.734 ( -0.833 0.000 -0.836) 1.180 8.156 ( 3.954 0.000 -10.138) 10.882 8.302 ( 5.202 0.000 5.057) 7.255 8.385 ( -3.133 0.000 -1.635) 3.534 9.052 ( -1.845 0.000 7.325) 7.554 9.342 ( -1.212 0.000 -2.698) 2.958 12.185 ( -5.477 0.000 0.237) 5.482 12.562 ( 8.840 0.000 -9.499) 12.976 12.941 ( -4.308 0.000 8.451) 9.486 13.276 ( -0.140 0.000 -3.902) 3.904 14.044 ( -0.456 0.000 3.216) 3.248 14.102 ( -2.511 0.000 -0.563) 2.573 14.281 ( 5.154 0.000 3.541) 6.254 14.383 ( 0.987 0.000 2.120) 2.339 14.597 ( -4.567 0.000 -3.359) 5.670 14.706 ( -0.847 0.000 -11.263) 11.295 15.240 ( -6.804 0.000 -0.528) 6.824 15.322 ( 8.570 0.000 2.381) 8.895 16.073 ( -0.345 0.000 1.059) 1.114 16.299 ( 5.845 0.000 -5.487) 8.017 16.706 ( -0.625 0.000 10.678) 10.696 16.767 ( -3.192 0.000 1.670) 3.602 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -14.681 0.000 -1.538) 14.762 0.655 ( -17.102 0.000 0.094) 17.102 1.003 ( -22.907 0.000 3.744) 23.211 1.154 ( 1.153 0.000 -0.218) 1.173 1.227 ( -2.447 0.000 0.942) 2.622 1.258 ( 0.975 0.000 -6.349) 6.423 1.292 ( 3.003 0.000 -2.275) 3.768 1.376 ( -5.611 0.000 -2.482) 6.135 1.389 ( 5.050 0.000 1.749) 5.344 1.434 ( 5.287 0.000 4.122) 6.704 1.506 ( -3.283 0.000 -2.768) 4.294 1.667 ( 2.413 0.000 2.734) 3.647 1.670 ( 5.855 0.000 -1.485) 6.040 1.692 ( 1.708 0.000 2.196) 2.781 1.794 ( 0.248 0.000 0.459) 0.522 1.839 ( 0.352 0.000 -0.221) 0.416 2.093 ( -0.094 0.000 -3.620) 3.621 2.143 ( -2.631 0.000 5.903) 6.462 2.265 ( -0.389 0.000 1.954) 1.992 2.290 ( -0.220 0.000 -0.958) 0.983 2.362 ( -2.322 0.000 -2.266) 3.245 2.411 ( 6.433 0.000 1.271) 6.557 2.541 ( 2.121 0.000 -3.229) 3.863 2.554 ( 2.424 0.000 -4.020) 4.694 2.640 ( -0.584 0.000 -1.407) 1.524 2.713 ( 1.052 0.000 0.268) 1.086 2.750 ( -2.356 0.000 -1.697) 2.903 2.774 ( 2.396 0.000 5.751) 6.230 2.793 ( -3.924 0.000 0.178) 3.928 3.021 ( 2.464 0.000 1.947) 3.140 3.032 ( 1.579 0.000 -0.844) 1.791 3.105 ( 6.439 0.000 -0.499) 6.459 3.110 ( 2.377 0.000 1.776) 2.967 3.202 ( 3.724 0.000 0.445) 3.750 3.426 ( 1.562 0.000 2.586) 3.021 3.468 ( -6.923 0.000 -8.914) 11.287 3.507 ( -2.246 0.000 7.623) 7.947 3.681 ( 1.102 0.000 -4.510) 4.643 3.723 ( 1.575 0.000 1.907) 2.473 3.776 ( -1.033 0.000 -3.756) 3.896 3.816 ( 1.973 0.000 -0.848) 2.147 3.863 ( 0.684 0.000 0.416) 0.801 3.912 ( 0.165 0.000 -2.053) 2.059 3.951 ( 1.097 0.000 -1.480) 1.842 4.074 ( -6.255 0.000 2.626) 6.784 4.213 ( -0.759 0.000 7.648) 7.686 4.241 ( -1.266 0.000 3.521) 3.742 4.277 ( 3.414 0.000 3.526) 4.908 4.437 ( -2.540 0.000 -0.188) 2.547 4.446 ( 2.050 0.000 -4.018) 4.511 4.644 ( -0.855 0.000 2.069) 2.239 4.707 ( 2.774 0.000 1.935) 3.382 4.880 ( 1.217 0.000 -6.676) 6.786 4.924 ( 0.556 0.000 -5.772) 5.799 4.930 ( -1.542 0.000 2.283) 2.755 5.057 ( 1.708 0.000 -1.173) 2.072 5.355 ( -2.932 0.000 0.047) 2.933 5.491 ( -4.494 0.000 1.437) 4.719 5.570 ( 2.054 0.000 -1.026) 2.296 5.736 ( 2.675 0.000 6.991) 7.485 7.508 ( -4.719 0.000 2.886) 5.532 7.664 ( -4.968 0.000 -1.827) 5.293 7.775 ( -0.039 0.000 1.163) 1.164 8.124 ( 5.917 0.000 -10.574) 12.117 8.352 ( 0.041 0.000 0.109) 0.116 8.516 ( 10.453 0.000 8.468) 13.453 9.082 ( -3.129 0.000 6.142) 6.893 9.271 ( -3.440 0.000 -2.470) 4.235 12.090 ( -5.311 0.000 0.636) 5.349 12.607 ( 7.328 0.000 -8.278) 11.056 12.987 ( -1.683 0.000 8.777) 8.937 13.247 ( 1.199 0.000 -2.871) 3.111 14.042 ( -2.394 0.000 -2.808) 3.690 14.056 ( -2.094 0.000 3.589) 4.155 14.329 ( -2.197 0.000 -2.330) 3.202 14.433 ( 0.606 0.000 4.249) 4.292 14.536 ( -2.837 0.000 -12.360) 12.681 14.584 ( 3.620 0.000 3.745) 5.208 15.094 ( -7.045 0.000 -4.309) 8.258 15.488 ( 7.356 0.000 1.542) 7.516 16.089 ( 1.205 0.000 0.275) 1.236 16.336 ( 5.049 0.000 -4.697) 6.896 16.709 ( -4.621 0.000 0.626) 4.664 16.833 ( 1.011 0.000 11.676) 11.720 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( -14.004 0.000 4.115) 14.596 0.373 ( -17.536 0.000 6.404) 18.669 0.649 ( -26.522 0.000 16.243) 31.101 1.148 ( -1.048 0.000 -1.795) 2.079 1.203 ( -1.184 0.000 0.368) 1.240 1.228 ( 4.714 0.000 -6.210) 7.797 1.256 ( -2.054 0.000 -4.252) 4.722 1.316 ( -1.756 0.000 2.266) 2.866 1.411 ( -0.153 0.000 0.672) 0.689 1.452 ( 1.531 0.000 -1.086) 1.877 1.608 ( 6.179 0.000 1.420) 6.340 1.697 ( 1.201 0.000 0.309) 1.241 1.736 ( 3.159 0.000 -1.371) 3.444 1.761 ( 0.521 0.000 3.249) 3.290 1.794 ( 0.467 0.000 -2.048) 2.100 1.809 ( -2.764 0.000 -0.706) 2.853 2.059 ( 0.573 0.000 -4.893) 4.927 2.173 ( -1.126 0.000 3.304) 3.491 2.237 ( -2.627 0.000 -1.252) 2.910 2.281 ( -1.947 0.000 0.138) 1.952 2.337 ( 0.699 0.000 1.528) 1.680 2.507 ( -0.140 0.000 0.882) 0.893 2.528 ( -0.037 0.000 -2.863) 2.863 2.569 ( 7.209 0.000 -2.982) 7.802 2.616 ( 0.863 0.000 -3.250) 3.362 2.711 ( -0.411 0.000 -0.659) 0.777 2.713 ( -0.319 0.000 1.768) 1.796 2.740 ( -3.136 0.000 2.402) 3.950 2.845 ( -1.722 0.000 3.316) 3.736 3.045 ( 0.134 0.000 -1.033) 1.042 3.105 ( 3.640 0.000 2.218) 4.263 3.182 ( -7.259 0.000 -7.429) 10.387 3.191 ( 2.478 0.000 2.271) 3.361 3.218 ( 3.431 0.000 2.261) 4.109 3.339 ( 7.838 0.000 -3.268) 8.492 3.487 ( 2.229 0.000 3.415) 4.078 3.564 ( 0.147 0.000 5.623) 5.625 3.636 ( 0.576 0.000 -6.024) 6.052 3.692 ( -5.080 0.000 -1.830) 5.400 3.740 ( 0.804 0.000 -2.870) 2.980 3.835 ( 2.914 0.000 -2.975) 4.165 3.867 ( 0.773 0.000 1.212) 1.437 3.927 ( 0.981 0.000 -0.356) 1.044 3.942 ( -0.574 0.000 0.378) 0.688 3.993 ( -6.367 0.000 4.208) 7.632 4.216 ( 0.370 0.000 -0.840) 0.918 4.360 ( 0.617 0.000 1.754) 1.859 4.387 ( -1.620 0.000 0.071) 1.622 4.389 ( 3.242 0.000 9.493) 10.031 4.481 ( 3.941 0.000 2.239) 4.532 4.648 ( -1.179 0.000 1.648) 2.026 4.765 ( 2.841 0.000 -1.494) 3.210 4.808 ( 1.086 0.000 -1.503) 1.854 4.883 ( 0.594 0.000 -1.827) 1.921 4.926 ( -1.455 0.000 1.790) 2.306 5.081 ( 1.754 0.000 -0.219) 1.767 5.314 ( -1.212 0.000 0.227) 1.233 5.443 ( -3.174 0.000 1.977) 3.739 5.589 ( 1.778 0.000 -1.692) 2.454 5.885 ( 5.239 0.000 4.544) 6.935 7.464 ( -3.741 0.000 1.512) 4.034 7.560 ( -3.244 0.000 -2.677) 4.206 7.694 ( -8.670 0.000 -6.128) 10.617 8.129 ( 6.849 0.000 -9.351) 11.590 8.378 ( 0.922 0.000 2.827) 2.973 8.825 ( 13.451 0.000 6.409) 14.900 9.077 ( -4.039 0.000 4.358) 5.942 9.180 ( -4.126 0.000 -2.679) 4.920 12.033 ( -3.158 0.000 2.693) 4.150 12.635 ( 5.294 0.000 -6.634) 8.487 13.052 ( -1.449 0.000 8.729) 8.848 13.253 ( 1.957 0.000 -1.221) 2.307 13.924 ( -5.425 0.000 -6.319) 8.328 14.048 ( -2.721 0.000 1.983) 3.367 14.256 ( -2.223 0.000 -0.742) 2.344 14.404 ( -0.229 0.000 -3.243) 3.251 14.496 ( 0.252 0.000 3.496) 3.505 14.682 ( 2.086 0.000 1.714) 2.700 14.965 ( -1.359 0.000 6.258) 6.404 15.594 ( 3.630 0.000 0.061) 3.630 16.118 ( 2.082 0.000 -0.071) 2.083 16.375 ( 4.409 0.000 -3.108) 5.394 16.634 ( -3.818 0.000 -0.372) 3.837 16.907 ( -3.994 0.000 -8.018) 8.957 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 0.365 10.387 8.982) 13.737 0.511 ( -0.505 12.859 10.819) 16.813 0.843 ( -1.477 17.628 15.128) 23.277 1.086 ( -0.289 0.121 -4.690) 4.700 1.154 ( -1.519 3.072 -5.630) 6.591 1.238 ( 3.845 -1.384 0.791) 4.163 1.309 ( 2.026 0.419 2.569) 3.298 1.351 ( 2.322 1.620 1.607) 3.255 1.439 ( 0.113 2.130 0.623) 2.222 1.525 ( 2.556 0.852 0.166) 2.699 1.586 ( -1.594 -3.378 -1.523) 4.034 1.704 ( -0.794 -0.946 -0.555) 1.354 1.730 ( -2.239 -1.140 -0.183) 2.519 1.731 ( -1.471 -0.676 -0.813) 1.811 1.793 ( -0.762 0.934 -1.186) 1.691 1.804 ( 1.422 1.187 -0.444) 1.905 2.068 ( 3.580 -0.739 -0.125) 3.658 2.125 ( -3.301 1.421 -2.951) 4.650 2.217 ( -0.529 0.069 -0.727) 0.901 2.273 ( -0.922 3.416 -0.515) 3.576 2.361 ( 0.454 -1.864 2.134) 2.870 2.472 ( -0.469 -4.295 1.177) 4.478 2.511 ( -0.184 -2.130 -1.991) 2.921 2.571 ( 2.115 0.099 -3.701) 4.263 2.668 ( 1.047 -0.359 4.137) 4.282 2.677 ( -1.965 -1.741 -3.319) 4.232 2.734 ( 3.412 0.421 -2.337) 4.157 2.829 ( -0.745 0.962 1.965) 2.312 2.865 ( -2.808 5.138 -3.160) 6.653 2.956 ( 1.210 -3.054 1.864) 3.777 2.999 ( -0.671 -0.429 -2.274) 2.409 3.140 ( -0.234 0.869 -2.718) 2.863 3.198 ( -0.781 1.811 0.694) 2.091 3.284 ( 1.663 -2.424 3.069) 4.249 3.401 ( -7.209 -3.528 4.964) 9.437 3.439 ( -1.034 -0.015 0.674) 1.235 3.559 ( 2.383 1.217 -5.872) 6.453 3.608 ( 0.306 0.633 -1.307) 1.484 3.702 ( 3.222 -1.555 2.234) 4.218 3.760 ( 1.863 -0.410 3.493) 3.980 3.816 ( 2.555 -2.837 0.429) 3.842 3.848 ( -3.799 -3.140 1.976) 5.310 3.909 ( -0.959 -0.126 0.758) 1.229 3.991 ( 1.279 3.559 -2.818) 4.716 4.052 ( 1.524 1.750 1.404) 2.712 4.215 ( 0.261 0.075 0.342) 0.436 4.280 ( -4.795 0.737 -3.028) 5.718 4.365 ( 0.909 -0.416 0.572) 1.151 4.407 ( -3.388 0.855 -2.019) 4.036 4.486 ( -0.081 -0.550 -1.090) 1.224 4.634 ( -0.230 -1.189 2.636) 2.901 4.706 ( -1.255 -3.561 2.338) 4.441 4.769 ( 1.137 -8.562 6.735) 10.953 4.903 ( 0.045 -0.355 0.300) 0.467 4.965 ( 3.878 0.865 1.647) 4.301 5.072 ( 1.936 -2.714 -1.351) 3.597 5.422 ( 2.691 3.725 0.502) 4.623 5.451 ( -2.104 2.496 0.463) 3.297 5.622 ( 0.292 2.107 -0.027) 2.127 5.920 ( -5.471 5.859 -7.794) 11.181 7.418 ( 0.549 2.324 -0.856) 2.536 7.509 ( -0.699 -0.135 -0.737) 1.024 7.615 ( -1.998 3.526 5.238) 6.623 8.174 ( 4.151 -2.893 -6.664) 8.367 8.653 ( 7.290 12.345 -6.305) 15.662 8.909 ( -13.073 6.870 -10.576) 18.165 9.041 ( -5.092 0.190 1.533) 5.321 9.136 ( 5.212 -0.406 -0.612) 5.264 12.062 ( -0.460 1.801 4.625) 4.985 12.565 ( 2.376 -3.785 -7.943) 9.114 13.091 ( -2.543 -2.762 6.335) 7.364 13.274 ( 1.601 -1.061 -0.204) 1.932 13.932 ( 4.795 0.694 1.972) 5.231 14.028 ( -2.643 2.442 -1.132) 3.772 14.258 ( 1.858 -1.044 1.824) 2.805 14.440 ( -1.451 0.369 -1.451) 2.085 14.498 ( 4.243 2.971 1.044) 5.283 14.675 ( -3.212 0.988 -2.147) 3.988 15.202 ( 11.617 -12.160 15.006) 22.539 15.566 ( -3.067 -5.245 -0.136) 6.078 16.060 ( -3.705 1.006 2.476) 4.568 16.450 ( 3.321 2.375 -3.803) 5.579 16.461 ( -7.836 2.050 -4.440) 9.237 16.581 ( -2.604 -0.229 -1.373) 2.953 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 6.952 6.149 9.530) 13.302 0.616 ( 2.509 7.535 10.561) 13.214 0.994 ( 4.075 3.917 -4.192) 7.037 1.048 ( -1.918 2.848 -6.195) 7.083 1.127 ( 5.771 5.912 4.119) 9.231 1.302 ( 1.949 -1.212 1.728) 2.873 1.392 ( -0.001 0.236 0.759) 0.795 1.412 ( 0.700 -0.654 3.012) 3.160 1.440 ( 0.899 1.413 1.306) 2.124 1.491 ( -3.582 0.938 -2.577) 4.511 1.588 ( 1.283 1.478 2.597) 3.252 1.654 ( -3.486 -1.032 -2.822) 4.602 1.671 ( -0.877 -1.262 0.533) 1.627 1.700 ( -1.674 0.790 0.861) 2.042 1.771 ( -0.970 0.008 -0.369) 1.038 1.815 ( 1.217 1.675 -2.114) 2.959 2.008 ( -2.193 2.059 -2.836) 4.134 2.147 ( 1.311 -1.505 0.109) 1.999 2.230 ( 3.662 -1.375 -0.169) 3.915 2.269 ( -0.832 2.393 1.377) 2.883 2.392 ( 0.599 -2.220 1.836) 2.943 2.484 ( 0.496 -3.328 0.568) 3.412 2.499 ( -2.216 -1.471 -2.107) 3.393 2.529 ( 2.334 -0.278 -3.650) 4.341 2.608 ( -2.503 -1.489 -0.697) 2.995 2.693 ( -1.948 1.014 -1.282) 2.543 2.756 ( -3.422 1.382 -0.242) 3.698 2.777 ( 2.646 -0.608 2.497) 3.688 2.857 ( -0.387 0.644 -0.015) 0.751 2.953 ( 2.673 -2.540 -2.326) 4.360 3.042 ( 0.678 -1.293 -0.094) 1.463 3.121 ( 2.074 2.002 -2.269) 3.668 3.191 ( -1.927 3.788 2.486) 4.924 3.285 ( -2.989 -0.175 -0.435) 3.025 3.344 ( -5.668 -0.240 3.844) 6.852 3.399 ( -2.002 -1.636 0.208) 2.594 3.558 ( 3.188 1.103 -1.944) 3.893 3.636 ( 2.956 -1.928 -1.318) 3.767 3.726 ( -2.322 -4.688 1.251) 5.379 3.779 ( -1.814 -2.202 -1.495) 3.221 3.826 ( -0.178 0.184 -1.287) 1.312 3.877 ( -0.590 -0.607 0.290) 0.895 3.902 ( 2.689 -0.652 3.094) 4.150 4.027 ( 2.655 1.875 2.274) 3.967 4.084 ( 0.578 0.555 0.501) 0.945 4.179 ( -3.109 4.106 -0.687) 5.196 4.232 ( 0.115 0.254 2.160) 2.178 4.316 ( -1.607 2.935 -3.848) 5.099 4.392 ( -0.589 -0.516 0.709) 1.056 4.497 ( 2.374 -3.516 -0.181) 4.246 4.619 ( -3.050 1.438 -0.083) 3.373 4.676 ( -1.676 -1.161 0.340) 2.067 4.836 ( -1.509 -8.837 2.608) 9.337 4.898 ( 0.838 -0.503 0.059) 0.979 5.039 ( 1.737 -0.460 -0.742) 1.944 5.136 ( 3.675 -5.045 1.933) 6.534 5.408 ( -1.775 1.616 -0.672) 2.492 5.461 ( 0.350 3.975 1.371) 4.220 5.612 ( -1.958 2.386 0.664) 3.158 5.741 ( -4.415 11.127 -3.299) 12.417 7.453 ( 4.459 1.000 -1.779) 4.904 7.531 ( 1.827 0.326 1.512) 2.394 7.659 ( 1.964 2.307 2.250) 3.774 8.169 ( 4.063 -2.053 -6.763) 8.152 8.595 ( -13.097 4.183 -2.519) 13.978 8.668 ( -1.779 11.466 0.493) 11.614 8.971 ( -3.027 -0.891 0.364) 3.176 9.240 ( 5.836 -0.521 0.257) 5.865 12.130 ( 1.506 1.393 5.787) 6.139 12.523 ( 3.876 -2.352 -9.276) 10.324 13.069 ( -6.670 -2.120 5.552) 8.934 13.294 ( 0.806 -1.614 0.036) 1.805 13.976 ( -0.660 2.166 -2.089) 3.081 14.035 ( 3.965 -0.019 1.084) 4.111 14.343 ( 3.437 -2.042 3.199) 5.120 14.411 ( 1.036 -1.420 -2.591) 3.131 14.537 ( -5.184 1.962 -2.788) 6.204 14.641 ( 6.701 3.881 1.095) 7.821 15.395 ( -8.454 -12.726 8.028) 17.259 15.498 ( 0.025 -3.289 -1.428) 3.585 16.054 ( 2.197 1.644 -0.090) 2.745 16.299 ( -2.675 6.125 -5.405) 8.596 16.497 ( 1.071 0.004 2.456) 2.680 16.596 ( 4.383 -1.468 -0.992) 4.727 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 7.575 4.973 7.274) 11.620 0.843 ( 8.256 -1.177 7.188) 11.010 0.935 ( -0.389 1.957 -7.872) 8.121 1.025 ( 7.525 1.769 -6.237) 9.933 1.184 ( -0.926 0.406 -1.828) 2.089 1.261 ( -7.043 -0.715 -1.282) 7.194 1.364 ( -3.185 -0.926 0.598) 3.371 1.403 ( -0.762 1.025 0.937) 1.584 1.439 ( -1.282 2.435 1.216) 3.009 1.480 ( -1.301 -1.199 -0.320) 1.797 1.574 ( -0.998 3.865 -0.622) 4.040 1.622 ( -1.052 -0.556 1.374) 1.818 1.695 ( 0.158 1.729 1.659) 2.402 1.735 ( 1.643 -0.102 2.101) 2.669 1.745 ( -0.924 0.351 0.287) 1.029 1.805 ( 0.701 1.899 -1.942) 2.805 2.007 ( 3.538 1.148 0.251) 3.728 2.161 ( 0.484 -1.262 0.710) 1.527 2.237 ( -2.303 -0.636 1.085) 2.624 2.344 ( 4.000 -3.989 1.806) 5.930 2.383 ( -6.282 -0.690 -1.321) 6.457 2.429 ( 3.995 -3.436 -1.041) 5.371 2.501 ( -1.649 -1.493 -1.071) 2.469 2.547 ( 0.610 1.283 0.001) 1.421 2.557 ( 3.304 -0.383 -3.309) 4.692 2.693 ( 0.718 2.408 1.862) 3.127 2.720 ( -1.642 0.680 0.207) 1.789 2.846 ( -0.097 -1.477 1.955) 2.452 2.858 ( 2.834 -1.023 0.736) 3.101 2.965 ( -0.604 -2.038 0.036) 2.126 3.026 ( -0.414 -3.373 -0.947) 3.527 3.132 ( 1.012 3.964 -1.928) 4.523 3.175 ( -2.536 2.616 0.235) 3.651 3.205 ( -4.685 3.256 0.611) 5.738 3.267 ( -3.346 2.527 -1.909) 4.607 3.410 ( -0.214 -0.854 4.630) 4.713 3.584 ( 0.088 -4.003 -2.375) 4.656 3.666 ( 1.611 -2.323 -0.118) 2.829 3.687 ( -2.562 -4.683 0.481) 5.360 3.744 ( 1.395 -0.904 -4.133) 4.454 3.769 ( -0.711 2.877 -0.495) 3.005 3.905 ( 1.985 0.009 -0.132) 1.989 3.954 ( 0.410 1.035 0.521) 1.229 4.074 ( -1.911 0.505 2.079) 2.869 4.085 ( -0.480 3.120 0.327) 3.174 4.159 ( -0.288 2.974 2.308) 3.776 4.243 ( 0.024 -1.875 -1.260) 2.260 4.292 ( -0.878 2.856 3.868) 4.888 4.395 ( 1.289 -1.751 -0.289) 2.193 4.541 ( 1.303 -2.664 -0.516) 3.010 4.546 ( -2.990 -1.570 -0.651) 3.439 4.663 ( -0.789 2.167 0.815) 2.446 4.813 ( -0.995 -4.818 -0.504) 4.946 4.923 ( 1.481 -2.415 -0.504) 2.877 5.050 ( 1.164 -0.335 -1.160) 1.676 5.128 ( -3.852 1.119 -1.533) 4.294 5.426 ( 3.027 -1.306 0.300) 3.310 5.474 ( 0.603 2.792 0.395) 2.884 5.579 ( -1.754 1.798 0.196) 2.519 5.688 ( -2.517 6.122 1.648) 6.821 7.528 ( 6.112 -0.031 -1.139) 6.218 7.575 ( -0.720 1.117 3.902) 4.122 7.721 ( 4.095 2.441 -1.249) 4.928 8.173 ( 4.495 -1.358 -5.998) 7.618 8.392 ( -8.375 3.234 -1.013) 9.034 8.599 ( -8.275 3.478 3.341) 9.578 8.966 ( 0.461 2.026 2.587) 3.319 9.324 ( 3.917 -0.737 -0.695) 4.046 12.219 ( 1.047 0.884 5.162) 5.340 12.502 ( 5.738 -1.172 -9.647) 11.286 13.004 ( -7.681 -1.027 5.967) 9.781 13.304 ( 0.796 -2.309 -0.804) 2.571 13.960 ( 1.213 1.640 -1.490) 2.526 14.104 ( 2.533 0.441 1.470) 2.961 14.302 ( -5.848 -0.653 -1.767) 6.144 14.427 ( -1.810 3.150 -1.243) 3.840 14.516 ( 5.991 -4.440 1.665) 7.640 14.779 ( 7.872 3.332 -0.831) 8.588 15.250 ( -9.006 -5.566 -0.893) 10.624 15.471 ( -4.050 0.898 1.650) 4.464 16.096 ( 1.336 -0.575 0.207) 1.469 16.230 ( 1.425 2.321 -5.113) 5.793 16.543 ( 0.023 -1.020 4.307) 4.426 16.676 ( 4.022 -2.696 1.005) 4.946 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 3.962 0.933 -2.532) 4.794 0.964 ( 3.467 2.628 2.111) 4.835 1.031 ( 7.004 -1.232 0.832) 7.160 1.112 ( 0.374 -0.096 0.567) 0.686 1.131 ( 2.133 -4.063 -1.915) 4.973 1.162 ( -2.001 1.537 0.427) 2.559 1.277 ( -3.179 0.215 1.090) 3.367 1.383 ( -2.630 -1.197 -0.213) 2.897 1.414 ( -2.720 0.528 -0.125) 2.774 1.455 ( -0.597 -1.383 1.023) 1.821 1.583 ( 0.503 5.000 0.956) 5.115 1.603 ( -2.245 1.253 -0.931) 2.734 1.681 ( 0.093 1.936 -1.230) 2.296 1.729 ( -1.750 0.207 0.689) 1.892 1.780 ( 1.618 0.614 0.134) 1.736 1.796 ( -0.766 1.095 -0.195) 1.351 2.115 ( 5.754 -1.533 2.396) 6.419 2.172 ( -0.890 -1.329 0.896) 1.834 2.208 ( -1.045 -3.460 0.036) 3.615 2.257 ( -5.314 2.092 0.881) 5.779 2.385 ( 3.040 -3.080 -1.839) 4.702 2.454 ( -0.784 -3.405 -1.270) 3.718 2.529 ( -1.406 -1.126 -4.052) 4.434 2.556 ( 4.035 -2.442 2.075) 5.152 2.582 ( 2.370 0.156 -0.740) 2.488 2.693 ( -1.522 -0.103 -1.009) 1.829 2.697 ( -2.534 2.478 -0.431) 3.570 2.822 ( -0.203 0.373 -1.046) 1.129 2.930 ( -2.246 0.162 -1.267) 2.584 2.954 ( 4.112 -1.119 1.203) 4.428 3.014 ( -1.948 -2.074 2.335) 3.681 3.090 ( -2.997 1.268 -0.870) 3.369 3.130 ( -2.128 4.426 -1.999) 5.302 3.156 ( 0.579 3.472 -0.901) 3.633 3.265 ( 3.329 4.304 1.943) 5.778 3.456 ( -2.214 -1.612 6.445) 7.003 3.544 ( -0.042 -4.537 -1.757) 4.865 3.666 ( -0.126 -3.164 1.428) 3.474 3.686 ( 1.069 -2.218 -1.162) 2.723 3.725 ( 1.654 -0.299 -2.845) 3.304 3.812 ( 2.477 3.104 1.518) 4.251 3.931 ( 1.477 1.280 -1.253) 2.321 3.937 ( -1.078 1.777 -1.052) 2.329 4.046 ( -2.106 3.898 -1.993) 4.859 4.061 ( -1.676 -1.228 1.964) 2.859 4.186 ( -1.677 2.627 3.697) 4.835 4.234 ( 1.086 -3.728 -1.786) 4.274 4.300 ( -3.349 5.237 4.406) 7.619 4.436 ( 0.978 -4.778 -0.408) 4.894 4.491 ( 0.455 -0.009 0.634) 0.781 4.562 ( -0.028 -2.508 0.126) 2.511 4.662 ( -0.272 2.115 0.525) 2.196 4.809 ( 1.093 -4.505 -0.593) 4.673 4.933 ( 0.892 -1.549 -1.319) 2.221 5.038 ( -1.627 1.839 -3.639) 4.390 5.054 ( 0.401 0.164 -1.702) 1.756 5.444 ( -1.429 2.241 0.994) 2.838 5.513 ( 2.454 -1.085 0.087) 2.684 5.571 ( 0.312 0.064 0.843) 0.901 5.661 ( -2.532 3.872 1.685) 4.924 7.584 ( -2.666 0.276 3.467) 4.382 7.635 ( 5.319 0.312 1.296) 5.483 7.758 ( 2.134 1.964 -1.729) 3.376 8.174 ( 2.488 -1.318 -8.105) 8.580 8.302 ( -1.069 4.913 2.124) 5.458 8.484 ( -6.591 -0.022 1.074) 6.677 9.020 ( -0.256 2.731 5.821) 6.435 9.357 ( 1.444 -0.836 -1.819) 2.468 12.253 ( -2.310 0.761 2.423) 3.433 12.513 ( 7.355 -0.819 -9.276) 11.867 12.946 ( -6.563 -0.561 6.569) 9.303 13.294 ( 0.165 -2.551 -2.984) 3.929 13.992 ( 2.554 0.619 1.385) 2.971 14.157 ( 1.644 1.866 1.229) 2.774 14.202 ( -3.743 -0.585 0.278) 3.798 14.406 ( 0.012 3.606 0.650) 3.664 14.582 ( 0.869 -6.409 -2.684) 7.003 14.880 ( 4.841 5.735 -3.737) 8.384 15.123 ( -3.631 -5.410 1.022) 6.595 15.414 ( -3.066 4.044 -0.200) 5.078 16.094 ( -1.690 1.094 1.108) 2.298 16.239 ( 5.341 -1.239 -4.987) 7.411 16.592 ( -1.013 -2.310 6.318) 6.803 16.735 ( 0.680 -3.448 1.784) 3.941 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -8.896 4.568 -0.967) 10.047 0.911 ( -13.907 -0.480 -1.167) 13.964 1.096 ( 8.180 0.442 -2.353) 8.524 1.125 ( 3.595 -2.286 5.077) 6.628 1.226 ( 3.709 -2.274 -1.542) 4.616 1.230 ( 2.922 -0.876 0.999) 3.210 1.265 ( -2.507 1.150 4.093) 4.936 1.356 ( -2.427 0.548 -1.592) 2.954 1.376 ( 2.989 -1.383 0.227) 3.301 1.486 ( 0.709 -1.500 1.566) 2.281 1.536 ( -0.611 1.610 -3.198) 3.632 1.600 ( 0.339 4.136 1.837) 4.538 1.667 ( -1.802 0.182 -2.974) 3.482 1.693 ( 0.058 1.445 -0.994) 1.755 1.778 ( -1.819 -0.986 1.425) 2.513 1.809 ( 1.493 0.652 0.057) 1.630 2.133 ( -3.443 -1.746 3.130) 4.970 2.169 ( -1.231 -2.246 1.669) 3.057 2.219 ( -1.421 1.584 0.658) 2.227 2.286 ( 3.848 0.586 0.793) 3.972 2.374 ( -3.669 -0.419 -2.667) 4.556 2.441 ( 2.694 -0.523 1.410) 3.085 2.464 ( 2.283 -3.735 -4.312) 6.145 2.545 ( -1.528 1.187 -5.524) 5.853 2.614 ( 1.162 -1.315 1.375) 2.230 2.657 ( 0.016 -2.864 -1.468) 3.218 2.689 ( 0.353 -1.702 1.940) 2.605 2.811 ( -2.300 -0.370 -0.584) 2.402 2.899 ( 3.402 3.556 -2.185) 5.384 2.993 ( -4.115 0.209 2.968) 5.078 3.019 ( 3.712 -1.464 -1.757) 4.360 3.049 ( -0.823 1.048 -0.021) 1.333 3.091 ( 1.040 3.090 -3.136) 4.524 3.167 ( 1.642 2.015 0.322) 2.619 3.378 ( 3.349 3.708 3.965) 6.379 3.465 ( -4.129 -2.964 5.593) 7.557 3.577 ( 3.157 -1.256 1.911) 3.898 3.650 ( -0.598 -1.040 -4.755) 4.904 3.685 ( 0.380 -1.479 0.839) 1.742 3.774 ( 2.496 -0.520 2.714) 3.724 3.836 ( -0.548 0.236 -1.038) 1.197 3.892 ( -2.088 1.768 -4.268) 5.070 3.936 ( 0.860 1.303 0.774) 1.743 4.003 ( 0.678 4.533 -1.999) 5.001 4.073 ( -0.684 -2.854 3.923) 4.899 4.163 ( -3.734 1.806 1.300) 4.347 4.235 ( 0.628 -2.519 -0.948) 2.764 4.318 ( -0.378 7.269 5.127) 8.903 4.403 ( -0.355 -3.641 -2.744) 4.573 4.519 ( -0.708 0.209 -0.654) 0.986 4.588 ( 2.197 -3.029 3.191) 4.917 4.659 ( -0.756 0.960 0.380) 1.280 4.820 ( 0.675 -5.279 -1.058) 5.426 4.928 ( -0.152 -0.744 -0.643) 0.995 4.991 ( 1.838 2.103 -5.635) 6.289 5.041 ( 0.009 -0.462 -1.195) 1.281 5.417 ( -2.445 1.487 0.318) 2.879 5.543 ( -0.204 0.085 1.865) 1.878 5.567 ( -1.599 -0.202 -0.041) 1.612 5.680 ( 3.187 3.392 1.736) 4.968 7.559 ( -3.879 0.564 2.516) 4.658 7.691 ( -2.231 -1.280 3.237) 4.135 7.788 ( 2.175 2.552 -0.629) 3.411 8.085 ( 0.964 -4.579 -9.221) 10.340 8.373 ( 2.184 3.927 2.328) 5.061 8.455 ( 5.125 6.044 0.975) 7.984 9.070 ( -1.891 1.964 6.557) 7.101 9.336 ( -1.027 -0.567 -2.514) 2.774 12.197 ( -5.126 1.237 0.263) 5.279 12.547 ( 7.391 -1.592 -8.444) 11.334 12.932 ( -3.656 -0.527 7.346) 8.222 13.255 ( 0.312 -2.100 -3.941) 4.477 14.050 ( 0.310 0.611 3.308) 3.378 14.116 ( -3.530 1.189 -0.970) 3.849 14.258 ( 4.795 -1.366 2.631) 5.637 14.430 ( 0.597 1.761 -0.458) 1.915 14.526 ( -1.506 -2.316 -0.848) 2.890 14.805 ( -3.639 7.260 -8.727) 11.921 15.148 ( -1.650 -6.062 4.110) 7.508 15.389 ( 3.143 3.405 -1.941) 5.024 16.081 ( -0.736 0.813 0.622) 1.261 16.288 ( 5.998 -1.030 -4.389) 7.503 16.644 ( -2.523 -4.836 8.217) 9.863 16.741 ( -1.690 -2.982 1.747) 3.847 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -16.173 2.278 -1.168) 16.374 0.642 ( -12.742 6.833 -0.099) 14.459 1.100 ( -6.407 1.302 0.424) 6.552 1.156 ( -3.603 3.924 0.413) 5.343 1.213 ( -1.495 -0.093 0.476) 1.572 1.267 ( 1.869 -2.211 -0.509) 2.940 1.297 ( -0.790 2.248 -3.217) 4.004 1.371 ( -0.910 -0.104 0.595) 1.093 1.407 ( 2.466 1.819 -1.634) 3.472 1.458 ( 3.822 0.509 1.622) 4.183 1.532 ( -1.665 2.668 -1.682) 3.566 1.647 ( 4.700 -1.568 -1.337) 5.132 1.663 ( 2.650 -0.574 3.295) 4.267 1.695 ( 0.222 0.883 0.688) 1.141 1.769 ( -0.246 -1.562 0.353) 1.620 1.828 ( 0.626 -0.848 -0.102) 1.059 2.108 ( -2.751 2.081 -2.635) 4.341 2.138 ( -1.571 -1.127 4.555) 4.949 2.213 ( 1.336 -2.259 0.504) 2.672 2.328 ( -1.039 1.731 1.559) 2.551 2.349 ( 0.502 -1.262 -1.389) 1.942 2.452 ( 2.291 2.201 -0.959) 3.318 2.477 ( 2.460 -4.998 -2.766) 6.219 2.543 ( 0.322 -1.266 1.762) 2.193 2.604 ( 0.792 -0.968 -3.978) 4.170 2.666 ( 1.398 -2.600 -1.290) 3.221 2.742 ( 1.611 -2.619 5.260) 6.092 2.767 ( -0.831 1.114 -1.054) 1.744 2.927 ( -1.864 7.065 0.906) 7.362 2.978 ( 1.270 -1.045 1.017) 1.933 3.041 ( 1.386 -0.901 -2.701) 3.166 3.070 ( 3.350 -0.753 0.426) 3.460 3.123 ( 4.890 0.478 0.232) 4.919 3.213 ( 2.535 0.715 0.448) 2.672 3.405 ( -4.334 -1.264 -0.165) 4.518 3.455 ( -2.026 0.028 4.052) 4.530 3.565 ( -0.981 3.150 -1.793) 3.755 3.658 ( 1.631 -1.842 -1.168) 2.723 3.713 ( -0.075 -0.040 3.757) 3.758 3.773 ( -1.033 -0.449 -5.815) 5.923 3.800 ( -0.925 -0.790 -1.748) 2.130 3.857 ( 1.089 0.133 1.313) 1.711 3.951 ( -1.511 0.530 1.034) 1.906 4.004 ( 1.184 2.510 -1.279) 3.056 4.090 ( -2.119 1.792 -1.216) 3.030 4.136 ( 0.078 -2.329 5.112) 5.617 4.240 ( 0.464 -0.379 -0.000) 0.599 4.356 ( 0.463 0.855 1.307) 1.629 4.410 ( 1.038 3.654 3.157) 4.939 4.497 ( -0.359 0.746 -0.350) 0.898 4.643 ( -1.114 -2.817 -0.458) 3.064 4.658 ( 1.658 -1.484 2.407) 3.278 4.790 ( -2.174 -5.693 -2.267) 6.502 4.916 ( -0.290 -0.434 -1.311) 1.411 4.961 ( 0.276 2.490 -3.191) 4.057 5.040 ( 1.659 -1.123 -1.565) 2.542 5.376 ( -1.409 1.592 -0.667) 2.229 5.516 ( -3.341 2.114 1.550) 4.246 5.578 ( 1.995 0.318 -0.545) 2.092 5.788 ( 5.678 2.921 3.647) 7.354 7.511 ( -4.062 0.743 1.568) 4.417 7.666 ( -4.686 -1.026 3.959) 6.220 7.731 ( -6.023 -0.178 -2.529) 6.534 8.088 ( 8.367 -4.052 -6.751) 11.489 8.426 ( 5.245 5.444 -0.800) 7.602 8.662 ( 13.027 9.494 4.189) 16.655 9.097 ( -2.603 1.885 5.955) 6.767 9.271 ( -3.327 -0.023 -2.266) 4.026 12.108 ( -5.100 1.740 0.641) 5.427 12.577 ( 5.582 -2.974 -6.825) 9.305 12.975 ( -0.922 -0.676 7.195) 7.286 13.234 ( 1.707 -1.421 -2.892) 3.646 14.034 ( -3.425 0.214 -2.020) 3.982 14.082 ( -1.380 1.792 3.227) 3.941 14.305 ( -2.227 -1.993 -2.352) 3.803 14.410 ( 2.645 -3.004 -0.122) 4.004 14.563 ( -0.878 5.158 -1.114) 5.350 14.655 ( -1.230 5.080 -1.671) 5.488 15.074 ( -7.008 -1.769 -1.857) 7.462 15.478 ( 6.157 -1.838 0.310) 6.433 16.081 ( 0.163 -0.027 0.080) 0.184 16.346 ( 5.851 0.689 -3.962) 7.100 16.648 ( -4.766 -5.703 3.583) 8.250 16.754 ( -1.477 -5.306 5.863) 8.045 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -7.159 11.149 5.310) 14.274 0.445 ( -10.162 10.618 3.738) 15.165 0.904 ( -16.881 16.722 8.261) 25.157 1.138 ( -0.902 0.138 -0.685) 1.141 1.183 ( -0.266 -1.042 -0.965) 1.445 1.236 ( 0.812 -0.285 -6.507) 6.563 1.293 ( 2.329 1.697 0.174) 2.887 1.314 ( -3.164 1.864 1.014) 3.810 1.427 ( 0.112 1.476 -0.379) 1.528 1.491 ( 2.145 2.610 -1.829) 3.841 1.585 ( 2.887 -2.533 1.195) 4.023 1.696 ( 0.374 0.091 0.813) 0.900 1.719 ( 3.182 -1.955 -0.108) 3.736 1.740 ( 1.371 -1.277 1.402) 2.340 1.778 ( 1.301 -0.727 -0.131) 1.497 1.818 ( -1.242 0.657 -0.546) 1.507 2.057 ( -0.320 0.186 -2.503) 2.531 2.162 ( -0.323 -0.869 1.542) 1.799 2.237 ( 0.045 0.189 -0.220) 0.293 2.307 ( -1.911 1.889 0.350) 2.710 2.338 ( -0.105 -0.080 0.551) 0.566 2.458 ( 0.990 -5.582 0.035) 5.669 2.538 ( -0.907 -0.947 0.588) 1.437 2.566 ( 5.331 -0.368 -4.223) 6.811 2.587 ( 2.175 0.041 -0.652) 2.271 2.677 ( 2.325 0.917 -0.373) 2.526 2.740 ( -0.190 1.410 -2.446) 2.830 2.817 ( -0.749 -2.175 5.187) 5.675 2.897 ( -1.406 6.939 -1.137) 7.171 2.979 ( -1.908 -3.222 -0.890) 3.849 3.042 ( 0.296 -3.827 0.344) 3.854 3.174 ( 4.379 -0.415 2.719) 5.172 3.194 ( 0.825 -1.055 -2.204) 2.579 3.202 ( -1.714 0.465 -0.649) 1.891 3.376 ( 5.178 2.019 -0.057) 5.557 3.451 ( -4.544 -3.695 5.893) 8.308 3.569 ( 1.676 2.355 -1.042) 3.073 3.638 ( -0.602 2.157 -2.310) 3.217 3.704 ( -2.201 -1.177 -4.994) 5.583 3.727 ( -1.246 0.008 2.195) 2.524 3.768 ( 0.821 -2.809 0.062) 2.928 3.890 ( 0.658 0.086 0.278) 0.720 3.915 ( -3.737 -2.753 2.278) 5.171 4.004 ( -0.660 2.166 0.745) 2.384 4.040 ( 1.511 4.538 -5.444) 7.247 4.195 ( 0.633 -2.388 2.492) 3.509 4.287 ( 2.839 -2.486 3.048) 4.851 4.369 ( -0.813 1.308 -0.205) 1.554 4.470 ( 0.999 2.750 3.830) 4.820 4.499 ( 0.240 0.519 -1.217) 1.345 4.596 ( -4.528 -7.736 1.854) 9.154 4.673 ( -2.031 1.308 2.559) 3.519 4.750 ( -0.021 -4.514 0.310) 4.525 4.889 ( 0.429 0.373 -1.896) 1.979 4.944 ( -0.611 2.034 0.366) 2.155 5.057 ( 1.821 -1.780 -1.267) 2.844 5.374 ( 2.461 3.463 -1.135) 4.397 5.480 ( -2.537 2.728 1.174) 3.906 5.606 ( 1.765 1.147 -0.573) 2.182 5.939 ( 7.225 0.792 0.449) 7.282 7.456 ( -3.313 0.827 0.126) 3.417 7.591 ( -5.713 -1.126 -2.936) 6.521 7.624 ( -5.360 1.916 5.066) 7.620 8.155 ( 6.364 -3.545 -5.941) 9.400 8.547 ( 11.200 9.506 -4.856) 15.472 8.937 ( 13.180 4.765 -0.414) 14.021 9.115 ( -0.967 3.863 1.930) 4.425 9.176 ( -5.039 -0.337 -2.475) 5.624 12.052 ( -3.082 1.925 2.589) 4.462 12.591 ( 3.707 -4.165 -5.750) 8.009 13.036 ( -0.971 -1.000 6.864) 7.004 13.248 ( 2.207 -0.885 -1.262) 2.692 13.929 ( -4.385 1.252 -2.938) 5.425 14.076 ( -2.715 2.373 1.561) 3.929 14.243 ( -0.979 -1.321 -0.704) 1.789 14.459 ( 1.431 3.286 -3.865) 5.271 14.474 ( -1.589 0.452 2.382) 2.899 14.706 ( 0.560 2.031 1.428) 2.546 14.960 ( -2.625 -0.407 5.159) 5.803 15.564 ( 2.582 -4.250 0.697) 5.021 16.083 ( -0.725 -0.637 0.666) 1.172 16.402 ( 4.803 1.834 -2.744) 5.828 16.587 ( -4.147 -4.459 0.018) 6.089 16.739 ( -6.592 -7.850 -0.498) 10.263 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 1.044 13.761 3.592) 14.260 0.792 ( 0.782 13.831 5.858) 15.041 1.051 ( 1.545 1.836 -4.525) 5.122 1.140 ( 1.841 1.950 3.929) 4.757 1.231 ( 1.503 1.924 -3.951) 4.644 1.236 ( -3.343 4.517 2.565) 6.177 1.337 ( -0.530 0.601 2.547) 2.670 1.354 ( 1.483 -2.018 1.799) 3.084 1.482 ( 0.072 2.348 1.106) 2.597 1.525 ( -0.176 3.655 0.638) 3.714 1.597 ( 0.652 1.846 -0.226) 1.970 1.672 ( -1.232 -2.448 0.405) 2.770 1.696 ( -0.648 -1.412 -0.205) 1.567 1.729 ( -0.049 0.326 -0.965) 1.020 1.783 ( 1.806 -0.502 -1.589) 2.457 1.826 ( -1.512 0.160 1.344) 2.030 2.074 ( 1.206 1.284 0.915) 1.985 2.162 ( -2.238 2.180 -1.087) 3.308 2.218 ( -1.487 0.225 -2.388) 2.823 2.312 ( -0.268 -2.970 1.082) 3.173 2.362 ( -0.402 4.979 1.134) 5.122 2.399 ( 0.267 -1.189 1.970) 2.317 2.464 ( 0.268 -3.354 -3.030) 4.528 2.560 ( 1.249 -2.323 -0.892) 2.784 2.634 ( -5.932 -1.978 -2.544) 6.751 2.651 ( 2.327 0.513 -0.012) 2.383 2.706 ( 3.871 -2.985 -4.313) 6.519 2.813 ( 2.008 -1.169 0.548) 2.387 2.883 ( 0.091 -2.220 1.681) 2.786 2.955 ( -1.027 1.521 -1.618) 2.446 3.053 ( -2.071 3.747 -3.525) 5.546 3.140 ( 0.453 -0.267 -1.137) 1.253 3.240 ( 0.847 1.208 3.652) 3.939 3.250 ( 0.982 -0.889 2.205) 2.573 3.372 ( -4.142 1.522 3.627) 5.712 3.444 ( -3.143 0.205 -0.019) 3.150 3.519 ( 2.892 -3.442 -1.462) 4.727 3.574 ( 0.966 -3.915 -2.514) 4.752 3.693 ( 1.231 -1.856 -1.261) 2.559 3.727 ( -0.950 -3.182 -1.136) 3.510 3.802 ( 0.826 1.321 3.374) 3.716 3.836 ( -0.992 3.160 2.421) 4.103 3.905 ( -1.132 -0.385 0.890) 1.490 4.025 ( -0.137 -0.044 -3.103) 3.106 4.076 ( 1.048 1.016 1.370) 2.002 4.187 ( 0.591 -2.230 2.061) 3.094 4.303 ( -0.659 1.535 -1.725) 2.401 4.380 ( 1.551 0.008 -1.326) 2.041 4.420 ( -0.863 1.091 -1.848) 2.314 4.482 ( -1.880 0.659 -3.364) 3.909 4.573 ( 1.873 -2.525 5.960) 6.738 4.657 ( -2.262 -3.371 1.448) 4.309 4.718 ( -0.912 1.870 2.587) 3.320 4.886 ( 1.988 -1.748 -1.050) 2.848 4.994 ( 1.116 1.477 0.395) 1.893 5.034 ( 1.054 -0.844 -1.444) 1.977 5.482 ( -0.419 2.819 1.532) 3.236 5.549 ( 0.941 6.331 -0.695) 6.438 5.645 ( -0.566 -0.172 2.310) 2.385 5.924 ( -0.432 -3.412 -2.689) 4.365 7.471 ( 0.325 2.515 -0.889) 2.687 7.512 ( -0.119 0.316 -0.565) 0.658 7.707 ( -2.231 5.435 4.686) 7.515 8.077 ( 1.933 -5.706 -1.896) 6.316 8.834 ( 5.999 6.742 -2.989) 9.507 8.998 ( -7.585 1.722 -6.955) 10.434 9.047 ( -3.797 0.339 -0.740) 3.883 9.124 ( 3.886 -0.862 -3.550) 5.333 12.116 ( -0.453 3.577 3.856) 5.279 12.460 ( 1.391 -6.201 -3.752) 7.380 13.062 ( -1.642 0.070 3.368) 3.748 13.230 ( 1.319 -3.131 -0.826) 3.497 13.972 ( 2.097 3.050 1.603) 4.034 14.094 ( -2.139 3.677 -1.949) 4.680 14.223 ( 1.244 -2.047 2.013) 3.129 14.410 ( -1.286 -2.907 -2.746) 4.200 14.609 ( 4.444 6.726 -0.115) 8.063 14.710 ( -2.895 2.484 -1.894) 4.259 15.060 ( 2.421 -3.067 12.670) 13.259 15.417 ( -2.353 -8.893 2.106) 9.437 16.129 ( -0.027 4.816 -0.893) 4.898 16.443 ( -0.006 -3.265 -5.527) 6.419 16.475 ( 1.487 1.158 -0.008) 1.885 16.566 ( -3.001 -1.302 -0.569) 3.321 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 5.484 11.529 3.742) 13.304 0.837 ( -1.442 12.135 6.527) 13.854 1.037 ( 3.767 1.781 -6.433) 7.665 1.124 ( -4.934 4.045 -4.618) 7.876 1.228 ( 0.995 2.545 1.402) 3.071 1.273 ( 0.946 -2.317 3.079) 3.968 1.362 ( -1.809 -2.839 1.489) 3.681 1.392 ( -0.651 -2.478 3.302) 4.179 1.468 ( -1.653 1.072 -1.009) 2.213 1.513 ( -0.715 0.283 0.734) 1.063 1.622 ( 1.369 1.986 0.923) 2.583 1.638 ( -2.176 1.477 -0.699) 2.721 1.680 ( 0.139 0.200 -0.412) 0.479 1.726 ( 0.320 1.567 1.369) 2.105 1.787 ( 0.711 2.097 -0.583) 2.290 1.826 ( -0.324 -0.612 0.827) 1.078 2.066 ( -2.460 3.705 -1.493) 4.691 2.144 ( 1.373 1.436 0.293) 2.008 2.189 ( 0.733 -2.262 0.822) 2.516 2.309 ( -1.956 -1.777 -0.691) 2.731 2.320 ( -3.152 -1.145 1.105) 3.530 2.419 ( -1.326 -2.990 -0.640) 3.333 2.477 ( 3.073 -0.187 -1.371) 3.370 2.525 ( -0.761 -0.778 -2.775) 2.981 2.577 ( 1.814 -1.611 -0.368) 2.453 2.684 ( 0.377 -1.266 2.852) 3.143 2.762 ( 3.178 -0.451 -1.311) 3.467 2.787 ( -2.315 1.042 -1.000) 2.728 2.860 ( -2.333 0.376 1.500) 2.799 2.958 ( 2.125 1.839 -3.611) 4.575 2.986 ( -2.428 -2.639 -1.495) 3.885 3.157 ( 3.644 1.617 -1.692) 4.330 3.262 ( -1.344 -0.125 3.622) 3.866 3.278 ( -2.116 -0.108 0.181) 2.126 3.349 ( -3.506 3.146 4.550) 6.549 3.380 ( -1.767 -0.364 -1.211) 2.173 3.558 ( 2.843 -1.906 -1.956) 3.942 3.588 ( 2.248 -2.489 -0.238) 3.363 3.659 ( -3.007 -1.046 -1.439) 3.494 3.720 ( 1.737 -3.815 -1.719) 4.531 3.844 ( -0.239 0.691 1.400) 1.579 3.869 ( -2.265 -0.285 0.049) 2.283 3.893 ( 3.423 0.187 3.064) 4.598 4.018 ( 2.187 -2.345 -1.263) 3.447 4.102 ( -0.277 1.264 1.636) 2.086 4.201 ( -1.077 -1.261 1.217) 2.056 4.280 ( -0.305 3.887 0.525) 3.935 4.366 ( -1.762 2.414 -4.246) 5.192 4.420 ( 0.094 1.751 -2.110) 2.743 4.425 ( 2.372 -2.527 0.033) 3.466 4.601 ( -4.101 -2.368 -0.036) 4.736 4.652 ( -0.045 -3.592 3.712) 5.165 4.736 ( 0.202 1.570 1.557) 2.220 4.904 ( 0.746 -0.323 -0.319) 0.873 5.037 ( 1.029 -0.161 -0.873) 1.359 5.062 ( 5.471 -2.052 0.341) 5.853 5.454 ( -3.293 2.924 0.343) 4.418 5.564 ( 0.463 5.838 0.104) 5.858 5.637 ( -3.625 -0.333 2.731) 4.551 5.847 ( -3.601 0.345 -2.803) 4.577 7.479 ( 2.487 1.840 -1.512) 3.443 7.558 ( 4.315 1.009 0.897) 4.521 7.728 ( -0.738 4.846 3.618) 6.092 8.089 ( 2.036 -5.176 -1.762) 5.835 8.684 ( -12.615 4.458 -3.542) 13.841 8.859 ( -9.275 3.588 -3.777) 10.638 8.978 ( 4.372 3.808 -1.316) 5.945 9.221 ( 6.011 -1.490 -0.349) 6.203 12.173 ( 1.406 2.865 4.641) 5.633 12.451 ( 3.053 -4.613 -4.859) 7.363 13.045 ( -4.271 0.140 3.299) 5.399 13.238 ( 0.573 -3.763 -0.764) 3.883 14.033 ( 0.035 3.072 -1.498) 3.418 14.052 ( 2.109 1.900 0.854) 2.965 14.294 ( 3.352 -2.709 3.145) 5.335 14.358 ( -0.654 -3.256 -3.050) 4.509 14.607 ( -4.283 4.334 -2.903) 6.750 14.726 ( 6.324 3.737 0.287) 7.351 15.198 ( -3.402 -5.419 9.700) 11.620 15.420 ( 2.258 -4.896 0.906) 5.467 16.112 ( -0.452 3.826 -0.792) 3.933 16.349 ( -2.922 -0.796 -5.649) 6.410 16.498 ( 0.282 0.173 1.633) 1.666 16.558 ( 2.364 -1.967 -0.661) 3.145 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 3.746 6.231 3.736) 8.174 0.933 ( 4.475 7.218 3.215) 9.081 0.988 ( -3.097 3.208 -5.279) 6.910 1.051 ( 5.940 1.637 -5.992) 8.595 1.189 ( -3.996 -0.495 -1.068) 4.166 1.259 ( -5.035 0.131 1.014) 5.138 1.321 ( -2.314 -2.580 -0.170) 3.470 1.375 ( -3.609 -3.584 0.841) 5.155 1.437 ( -2.335 -0.860 1.594) 2.955 1.528 ( -0.849 2.798 0.975) 3.082 1.608 ( -0.318 0.477 1.096) 1.237 1.650 ( 1.638 2.153 -1.171) 2.948 1.702 ( 1.430 0.059 1.289) 1.926 1.753 ( 0.427 0.486 1.249) 1.407 1.788 ( -1.709 3.094 0.825) 3.630 1.829 ( 0.920 0.289 -1.044) 1.421 2.044 ( 0.701 2.779 0.791) 2.973 2.129 ( -1.688 -1.411 0.430) 2.242 2.203 ( -3.223 -2.336 -1.282) 4.182 2.279 ( 1.601 -2.468 0.925) 3.084 2.342 ( 2.969 -3.849 1.492) 5.085 2.383 ( -1.982 0.442 0.395) 2.069 2.438 ( -2.670 -3.846 -4.081) 6.211 2.536 ( 3.277 -1.676 -1.412) 3.942 2.612 ( 0.500 4.743 0.656) 4.814 2.699 ( -3.841 -0.127 0.554) 3.883 2.756 ( 2.878 -2.041 2.676) 4.428 2.810 ( 1.567 1.778 -1.342) 2.724 2.862 ( -0.476 -1.998 3.780) 4.302 2.950 ( 1.878 1.229 -3.360) 4.041 2.970 ( 1.764 0.203 -0.269) 1.796 3.169 ( -1.158 -0.488 -2.677) 2.957 3.219 ( -0.649 1.833 -1.222) 2.297 3.278 ( -5.638 -2.963 2.945) 7.017 3.300 ( -1.065 3.927 2.481) 4.766 3.386 ( 1.031 1.555 -0.388) 1.905 3.558 ( -0.485 0.506 -1.007) 1.228 3.601 ( -2.136 -1.854 0.415) 2.858 3.629 ( 2.060 -2.011 -0.490) 2.920 3.743 ( 2.667 -0.218 -1.589) 3.112 3.807 ( -0.700 1.068 -0.525) 1.381 3.901 ( 2.598 0.051 1.353) 2.930 3.966 ( 0.955 -0.012 1.752) 1.995 4.045 ( 1.584 -4.522 -1.362) 4.981 4.107 ( -0.863 0.568 1.250) 1.622 4.188 ( -3.146 -0.749 2.807) 4.283 4.258 ( -0.922 2.483 -2.059) 3.355 4.327 ( 0.667 3.065 0.162) 3.141 4.398 ( 0.471 -0.068 -2.734) 2.775 4.479 ( 2.026 -1.548 1.527) 2.972 4.527 ( -3.472 -1.028 -0.537) 3.660 4.657 ( -1.850 -4.225 1.117) 4.745 4.759 ( 1.097 2.371 0.533) 2.666 4.914 ( 0.633 0.028 -0.131) 0.647 5.046 ( 1.046 0.142 -0.696) 1.265 5.133 ( 1.775 -0.567 -1.424) 2.345 5.412 ( -0.420 0.567 0.015) 0.706 5.553 ( -2.652 3.289 0.709) 4.285 5.597 ( -2.221 0.683 1.055) 2.551 5.769 ( -2.959 1.421 -1.068) 3.452 7.528 ( 4.465 1.182 -0.723) 4.675 7.643 ( 2.305 2.600 2.543) 4.305 7.754 ( 1.265 2.521 0.032) 2.820 8.116 ( 3.168 -4.343 -1.794) 5.668 8.471 ( -8.106 4.232 -1.431) 9.255 8.649 ( -11.476 0.568 -0.316) 11.494 9.046 ( 2.901 5.576 1.363) 6.431 9.300 ( 3.749 -1.704 -0.814) 4.198 12.248 ( 1.175 2.046 3.938) 4.591 12.459 ( 4.482 -3.132 -5.755) 7.938 12.999 ( -5.293 0.919 3.756) 6.555 13.235 ( 0.504 -4.358 -1.444) 4.619 14.007 ( 0.087 2.803 -1.396) 3.133 14.110 ( 2.058 0.092 1.101) 2.336 14.293 ( -2.893 -0.273 -0.888) 3.039 14.402 ( 3.911 -4.641 0.910) 6.137 14.524 ( -1.776 4.716 -0.838) 5.109 14.816 ( 4.554 -1.114 -0.880) 4.771 15.184 ( -4.111 1.072 2.831) 5.106 15.475 ( 1.581 -1.073 0.312) 1.936 16.108 ( 0.707 1.540 -0.258) 1.714 16.248 ( -2.551 -0.621 -3.436) 4.325 16.522 ( -0.200 -0.879 2.550) 2.704 16.605 ( 2.749 -3.818 0.256) 4.712 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 3.084 1.315 -2.482) 4.171 0.999 ( 2.618 0.737 1.516) 3.114 1.024 ( 4.147 0.912 1.527) 4.513 1.094 ( -0.366 0.533 -0.004) 0.647 1.133 ( 0.263 2.299 -1.607) 2.817 1.191 ( -1.578 0.791 0.145) 1.771 1.267 ( -1.921 -0.734 -0.636) 2.152 1.321 ( -3.386 -3.884 1.114) 5.271 1.410 ( -2.231 -0.642 0.641) 2.409 1.500 ( -1.930 5.033 0.175) 5.393 1.616 ( -0.286 0.257 -1.329) 1.383 1.660 ( 0.661 1.676 -0.020) 1.802 1.710 ( -0.871 -1.362 -0.953) 1.877 1.745 ( -2.072 3.004 -1.286) 3.869 1.775 ( -0.414 -0.786 1.525) 1.765 1.830 ( 1.252 1.418 -1.817) 2.623 2.086 ( 1.021 0.154 2.249) 2.475 2.111 ( -1.975 -3.474 2.091) 4.510 2.179 ( 2.099 0.103 -0.424) 2.144 2.298 ( -0.522 -4.434 -0.262) 4.473 2.328 ( -0.156 1.902 1.734) 2.579 2.369 ( -0.103 -3.324 -3.219) 4.629 2.427 ( 0.298 -5.258 1.200) 5.401 2.574 ( 2.713 -1.352 -1.167) 3.248 2.612 ( -1.410 4.982 1.599) 5.419 2.657 ( -1.121 -0.999 -0.476) 1.575 2.761 ( -3.085 -0.025 -2.422) 3.922 2.793 ( -0.169 -1.563 -0.078) 1.574 2.940 ( -0.839 1.276 -3.199) 3.545 2.970 ( 0.584 -0.168 0.014) 0.607 2.985 ( 5.599 1.552 2.181) 6.206 3.101 ( -2.482 -0.589 -1.465) 2.942 3.184 ( -2.093 -1.036 -0.285) 2.353 3.230 ( -0.628 3.212 0.800) 3.369 3.369 ( 3.090 3.365 3.291) 5.631 3.378 ( -1.093 0.837 0.681) 1.536 3.552 ( -0.276 2.323 1.478) 2.768 3.602 ( -0.492 -1.782 3.751) 4.182 3.657 ( 1.625 -1.123 0.285) 1.995 3.732 ( 1.007 1.372 -3.132) 3.564 3.849 ( 1.360 -0.206 1.495) 2.031 3.946 ( 0.809 1.027 0.606) 1.441 3.965 ( -0.879 0.887 -1.068) 1.644 4.036 ( -0.352 -2.549 -0.452) 2.613 4.106 ( -0.074 -0.134 0.036) 0.157 4.139 ( -1.864 -3.107 -1.546) 3.939 4.247 ( -2.037 2.697 2.147) 4.004 4.360 ( 2.064 -0.741 -1.198) 2.499 4.380 ( 0.338 0.377 0.447) 0.675 4.487 ( -0.476 0.047 0.517) 0.704 4.515 ( -0.275 -1.077 1.548) 1.906 4.635 ( -0.903 -4.546 -0.255) 4.642 4.783 ( 1.006 2.554 0.394) 2.773 4.918 ( 0.153 -0.438 -0.526) 0.702 5.050 ( 0.085 0.756 -0.934) 1.204 5.102 ( -0.312 2.964 -3.944) 4.943 5.440 ( 1.535 -2.601 0.520) 3.065 5.504 ( -3.010 -0.676 1.338) 3.363 5.589 ( 0.023 2.533 0.249) 2.545 5.723 ( -1.017 1.616 -0.726) 2.043 7.599 ( 2.338 1.322 1.055) 2.886 7.679 ( -1.082 3.280 3.018) 4.586 7.774 ( 2.792 0.460 -2.174) 3.568 8.116 ( -0.064 -4.533 -6.352) 7.803 8.405 ( 0.719 4.305 2.571) 5.066 8.489 ( -6.876 0.503 2.080) 7.202 9.101 ( 0.502 5.009 3.291) 6.014 9.331 ( 1.429 -1.700 -1.553) 2.710 12.279 ( -1.547 1.872 1.775) 3.008 12.478 ( 4.833 -2.810 -5.910) 8.136 12.952 ( -4.451 1.543 3.719) 6.001 13.219 ( 0.366 -4.659 -3.013) 5.561 14.017 ( 1.444 1.779 1.124) 2.552 14.149 ( 1.027 -1.735 1.245) 2.369 14.237 ( -2.395 2.880 -0.543) 3.785 14.427 ( 0.565 -4.104 -2.848) 5.027 14.533 ( 0.493 4.269 2.928) 5.200 14.902 ( 4.606 -4.845 3.274) 7.443 15.120 ( -4.043 6.765 -2.680) 8.324 15.470 ( -0.428 0.951 -2.480) 2.690 16.118 ( -0.408 1.123 0.361) 1.248 16.205 ( 1.821 -1.929 -2.120) 3.395 16.544 ( -1.155 -2.004 3.559) 4.244 16.644 ( 0.920 -4.969 0.733) 5.107 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -6.712 2.259 -1.698) 7.283 0.989 ( -7.369 7.237 -0.148) 10.330 1.068 ( 2.532 -2.678 0.172) 3.689 1.111 ( 6.004 -0.780 0.796) 6.106 1.169 ( 2.424 -0.802 1.548) 2.986 1.216 ( 2.109 -0.809 -0.148) 2.264 1.272 ( 1.501 -0.731 1.423) 2.193 1.309 ( 0.932 -3.133 1.640) 3.657 1.384 ( 0.517 0.196 -1.395) 1.501 1.488 ( 0.126 2.044 -1.208) 2.377 1.562 ( -1.536 0.394 -1.572) 2.233 1.668 ( -0.239 0.304 -2.412) 2.443 1.675 ( -0.207 2.148 -0.774) 2.292 1.726 ( 1.138 1.914 -0.682) 2.329 1.760 ( -2.410 -0.203 1.393) 2.791 1.832 ( 0.314 1.017 -1.089) 1.523 2.093 ( -2.221 -2.105 2.723) 4.097 2.130 ( 1.703 -0.244 2.092) 2.708 2.235 ( 2.801 -0.779 0.149) 2.911 2.280 ( -1.254 -4.109 -0.538) 4.330 2.338 ( -0.234 -1.946 -1.447) 2.436 2.392 ( -1.117 -0.527 0.027) 1.235 2.431 ( 4.824 -1.029 3.184) 5.871 2.571 ( -0.596 -0.900 -4.287) 4.421 2.602 ( -2.797 3.508 2.407) 5.091 2.637 ( -1.157 0.026 -2.895) 3.117 2.681 ( -0.640 1.101 -0.513) 1.373 2.765 ( -1.351 -3.732 -1.275) 4.169 2.895 ( 0.997 -3.376 -0.621) 3.574 2.994 ( 0.484 1.521 1.154) 1.970 3.041 ( 0.351 0.962 -0.568) 1.171 3.102 ( 3.407 3.235 -1.666) 4.985 3.181 ( 0.432 0.465 0.659) 0.915 3.206 ( -0.229 7.275 -2.697) 7.762 3.372 ( -3.059 -4.302 5.968) 7.967 3.463 ( 1.980 3.962 3.153) 5.436 3.579 ( 1.476 -0.343 0.618) 1.636 3.618 ( -1.359 -1.510 0.626) 2.126 3.699 ( 0.736 2.346 2.873) 3.781 3.755 ( 2.881 -0.810 1.456) 3.328 3.820 ( -3.677 -1.608 -1.135) 4.171 3.920 ( -1.518 0.918 -4.000) 4.376 3.954 ( -0.992 0.531 1.975) 2.273 4.034 ( -0.121 -1.042 0.680) 1.250 4.069 ( -1.760 0.379 -2.074) 2.746 4.166 ( 3.123 -3.853 1.654) 5.228 4.223 ( -1.452 3.364 -0.183) 3.668 4.345 ( 1.419 -1.401 -3.427) 3.965 4.430 ( 1.218 2.687 3.377) 4.484 4.500 ( -2.464 -0.815 0.818) 2.721 4.527 ( 2.395 -2.370 1.956) 3.896 4.619 ( -0.084 -4.432 -1.404) 4.649 4.793 ( -1.103 2.623 1.058) 3.036 4.911 ( 0.092 -0.869 -0.876) 1.238 5.032 ( 0.707 1.367 -2.643) 3.058 5.064 ( -0.041 2.852 -3.157) 4.255 5.424 ( -2.420 -1.026 0.335) 2.650 5.519 ( 1.826 -2.571 1.103) 3.341 5.590 ( -0.579 2.874 0.373) 2.955 5.731 ( 2.982 1.051 -0.570) 3.213 7.598 ( -2.956 3.155 0.984) 4.434 7.682 ( -3.086 0.452 3.352) 4.579 7.821 ( 2.805 0.626 -0.191) 2.880 7.993 ( -1.867 -4.605 -8.373) 9.737 8.449 ( 1.048 3.567 1.983) 4.213 8.549 ( 8.928 2.327 3.274) 9.790 9.135 ( -0.958 4.242 3.985) 5.898 9.319 ( -0.619 -1.200 -1.969) 2.388 12.236 ( -4.168 2.613 0.227) 4.925 12.491 ( 3.493 -3.935 -5.120) 7.342 12.939 ( -1.428 1.636 3.715) 4.303 13.190 ( 1.012 -4.163 -3.715) 5.671 14.070 ( 1.355 1.325 3.175) 3.697 14.135 ( -3.339 0.343 -0.485) 3.391 14.244 ( 3.269 0.126 0.838) 3.377 14.369 ( -2.046 -4.439 -4.688) 6.772 14.604 ( 1.736 6.750 6.622) 9.614 14.977 ( -5.683 9.247 -7.564) 13.230 15.021 ( 0.818 -6.149 7.023) 9.370 15.418 ( -0.209 -1.004 -5.226) 5.326 16.107 ( -0.555 1.752 0.236) 1.852 16.258 ( 5.828 -1.917 -1.722) 6.372 16.554 ( -2.878 -3.335 4.297) 6.153 16.654 ( -0.510 -4.959 0.926) 5.070 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -7.205 9.300 -1.104) 11.816 0.828 ( -8.581 9.866 -2.219) 13.263 1.083 ( 0.809 -0.573 -1.296) 1.631 1.186 ( 0.310 -3.121 -1.642) 3.541 1.196 ( -0.088 -0.401 0.682) 0.796 1.254 ( 1.385 -0.225 1.549) 2.091 1.329 ( 0.535 0.108 -0.563) 0.784 1.348 ( 2.296 -2.396 2.560) 4.191 1.420 ( 2.604 -1.876 -0.170) 3.214 1.463 ( 2.382 2.722 -1.432) 3.890 1.595 ( 1.980 2.244 1.626) 3.406 1.623 ( 0.905 -0.586 -3.060) 3.244 1.682 ( 1.010 2.005 0.174) 2.252 1.725 ( -2.720 1.538 1.476) 3.456 1.754 ( 0.917 0.378 0.340) 1.049 1.821 ( -0.076 0.160 -0.305) 0.353 2.106 ( -0.145 -1.162 1.970) 2.292 2.174 ( -3.137 1.858 -1.760) 4.048 2.200 ( 1.015 2.490 2.256) 3.510 2.288 ( 1.693 -4.866 1.060) 5.260 2.328 ( 0.447 -1.309 -1.303) 1.900 2.414 ( 1.854 -0.410 0.103) 1.902 2.478 ( -1.530 -0.841 -2.976) 3.450 2.526 ( -0.929 0.696 3.408) 3.600 2.595 ( 2.345 -0.475 -4.367) 4.979 2.629 ( 4.415 0.186 -0.631) 4.464 2.706 ( 0.458 -0.271 3.459) 3.500 2.745 ( 0.167 -3.181 -0.738) 3.270 2.937 ( 0.675 -4.018 1.669) 4.403 2.990 ( -1.142 2.851 1.055) 3.248 3.029 ( -0.444 -1.623 -0.316) 1.712 3.147 ( 4.147 1.601 -1.894) 4.832 3.167 ( 0.250 6.790 -3.018) 7.434 3.229 ( 2.531 2.691 1.289) 3.913 3.372 ( -2.653 -2.094 2.424) 4.159 3.483 ( -4.424 2.130 3.290) 5.911 3.574 ( -0.482 -1.756 -0.679) 1.943 3.631 ( 2.633 -2.100 -0.660) 3.432 3.682 ( -4.307 -2.294 0.879) 4.959 3.784 ( -0.522 2.014 -1.467) 2.546 3.807 ( 0.273 -0.497 1.207) 1.333 3.861 ( -0.331 1.076 -0.551) 1.253 3.929 ( -4.440 -0.839 1.945) 4.919 4.031 ( 0.254 -0.312 -1.989) 2.030 4.056 ( 1.268 -2.011 1.561) 2.845 4.173 ( -1.859 0.330 -1.701) 2.541 4.239 ( 3.120 1.984 -0.570) 3.741 4.374 ( 3.304 1.307 0.607) 3.604 4.470 ( -0.761 -2.222 1.242) 2.657 4.488 ( 0.629 2.331 2.666) 3.597 4.545 ( -1.275 -3.965 -2.885) 5.067 4.624 ( 1.228 -3.790 1.569) 4.282 4.763 ( -3.524 2.819 1.112) 4.648 4.904 ( 0.088 -0.874 -1.067) 1.382 5.016 ( 0.221 2.347 -3.284) 4.043 5.031 ( 0.066 0.541 -1.057) 1.189 5.406 ( 0.676 1.363 -0.204) 1.535 5.565 ( 2.484 -1.668 0.156) 2.996 5.578 ( -1.281 3.788 0.740) 4.067 5.805 ( 5.476 -1.204 0.058) 5.607 7.546 ( -3.372 2.528 0.069) 4.215 7.644 ( -5.405 -0.554 2.940) 6.178 7.768 ( -5.382 2.579 -0.678) 6.007 7.990 ( 6.479 -5.034 -3.493) 8.918 8.538 ( 7.982 5.375 -0.253) 9.626 8.764 ( 11.655 0.595 1.777) 11.805 9.162 ( -0.523 3.777 3.568) 5.222 9.268 ( -2.938 -0.310 -1.737) 3.427 12.161 ( -4.476 3.462 0.606) 5.692 12.488 ( 1.758 -5.572 -3.562) 6.842 12.979 ( 0.970 1.255 3.499) 3.841 13.185 ( 2.389 -3.373 -2.630) 4.899 14.057 ( -3.586 1.936 -1.793) 4.452 14.124 ( 0.017 2.230 3.787) 4.395 14.257 ( -2.947 -2.598 -3.125) 5.020 14.342 ( 4.235 -3.315 0.464) 5.398 14.713 ( 1.023 8.133 6.517) 10.472 14.779 ( -6.316 7.730 -6.878) 12.123 15.028 ( -5.970 -2.743 1.572) 6.756 15.388 ( 1.768 -7.052 -1.652) 7.456 16.112 ( 1.089 3.112 -0.372) 3.318 16.349 ( 6.910 -0.860 -2.366) 7.355 16.534 ( -4.094 -4.077 3.255) 6.631 16.653 ( -1.383 -4.776 1.732) 5.266 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -4.941 13.102 0.572) 14.015 0.706 ( 0.588 14.069 2.439) 14.291 1.075 ( 0.091 1.592 -1.507) 2.194 1.131 ( -1.735 -2.963 -1.895) 3.922 1.210 ( 1.335 1.954 -0.301) 2.385 1.287 ( -1.718 3.307 1.448) 3.998 1.313 ( 0.416 -0.037 -0.165) 0.449 1.359 ( -2.654 1.399 1.444) 3.329 1.453 ( 1.775 1.797 0.145) 2.530 1.509 ( 1.541 2.265 0.517) 2.788 1.591 ( 0.638 2.071 -0.906) 2.349 1.678 ( 2.540 -1.610 0.243) 3.017 1.693 ( -2.117 -0.889 1.556) 2.774 1.715 ( 2.215 -0.175 -0.394) 2.256 1.767 ( 0.290 -0.232 0.536) 0.652 1.831 ( 0.384 0.126 0.456) 0.609 2.071 ( -1.585 1.542 -0.573) 2.285 2.168 ( 1.128 1.632 0.763) 2.126 2.244 ( 0.660 0.248 0.272) 0.756 2.321 ( 0.206 -1.819 -1.443) 2.331 2.340 ( 0.664 -2.322 1.728) 2.969 2.378 ( -0.243 3.623 0.094) 3.632 2.496 ( 0.137 -4.804 -1.133) 4.937 2.541 ( 0.845 -0.307 1.680) 1.906 2.601 ( 3.065 0.568 -2.026) 3.718 2.690 ( 4.198 -1.652 -3.780) 5.886 2.733 ( 0.363 0.503 -1.330) 1.468 2.759 ( -0.239 -3.443 2.600) 4.321 2.883 ( -3.257 -1.516 -0.403) 3.615 2.999 ( -1.032 0.389 -0.134) 1.111 3.087 ( 3.108 -1.388 3.878) 5.160 3.128 ( 0.304 4.528 -4.440) 6.349 3.199 ( 2.317 0.875 -0.682) 2.569 3.231 ( -2.879 0.767 1.404) 3.294 3.381 ( 0.399 -0.675 2.842) 2.949 3.445 ( -1.531 1.922 1.933) 3.126 3.543 ( -2.344 -2.297 -0.798) 3.377 3.608 ( -1.043 -6.340 -3.481) 7.308 3.691 ( 1.790 -2.642 -0.039) 3.192 3.736 ( -0.507 3.208 -1.648) 3.642 3.799 ( -3.289 1.548 1.895) 4.100 3.845 ( -2.503 0.942 1.697) 3.168 3.904 ( -0.394 0.051 1.289) 1.349 4.032 ( 1.199 0.416 -0.204) 1.286 4.080 ( 0.334 -0.291 -2.791) 2.826 4.145 ( 0.184 -2.077 2.585) 3.321 4.286 ( 2.929 1.851 -0.831) 3.563 4.422 ( 0.800 2.302 -1.227) 2.729 4.456 ( -2.910 -3.416 -2.759) 5.267 4.488 ( -0.019 -0.936 3.591) 3.711 4.525 ( 0.565 0.251 0.119) 0.630 4.652 ( -0.364 -4.421 1.926) 4.836 4.723 ( -2.538 2.987 2.165) 4.478 4.885 ( 0.045 -1.074 -1.926) 2.206 4.991 ( -0.496 2.227 -0.232) 2.293 5.031 ( 0.972 -0.505 -1.287) 1.690 5.441 ( 2.868 3.192 0.332) 4.304 5.557 ( -0.732 4.957 -0.511) 5.037 5.614 ( 1.698 -0.712 1.296) 2.252 5.899 ( 4.860 -3.965 -0.634) 6.305 7.493 ( -2.085 2.226 -0.622) 3.113 7.564 ( -4.709 -0.719 -0.005) 4.764 7.710 ( -3.401 5.091 3.454) 7.030 8.052 ( 3.678 -5.667 -1.931) 7.027 8.698 ( 11.698 6.169 -3.112) 13.587 8.956 ( 8.790 -1.556 0.136) 8.927 9.172 ( -6.120 0.250 -1.841) 6.396 9.183 ( 0.029 1.791 -1.651) 2.436 12.111 ( -2.810 3.827 2.237) 5.249 12.477 ( 1.011 -6.678 -2.856) 7.334 13.032 ( 0.544 0.832 3.384) 3.527 13.209 ( 2.449 -2.914 -1.290) 4.019 13.977 ( -2.932 3.227 -1.114) 4.500 14.139 ( -1.738 3.756 0.673) 4.193 14.202 ( -0.407 -2.636 0.078) 2.669 14.418 ( 2.634 -3.277 0.514) 4.236 14.615 ( -2.544 8.317 -4.706) 9.889 14.769 ( -2.389 4.316 0.868) 5.009 14.948 ( -3.207 -0.707 5.700) 6.578 15.416 ( -0.204 -9.673 2.481) 9.988 16.127 ( 1.300 4.382 -0.966) 4.672 16.430 ( 5.668 0.008 -3.272) 6.544 16.492 ( -3.145 -3.401 0.968) 4.732 16.631 ( -3.082 -4.071 0.549) 5.136 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.310 10.816 2.818) 11.413 1.043 ( 2.736 9.761 2.168) 10.366 1.075 ( 2.719 -1.634 -0.372) 3.194 1.127 ( 0.317 1.783 1.971) 2.676 1.203 ( 0.993 -5.548 -0.194) 5.639 1.256 ( 0.207 -4.947 0.891) 5.031 1.305 ( -3.123 1.363 -0.057) 3.408 1.328 ( -2.048 -1.158 0.805) 2.487 1.564 ( -1.897 3.067 0.710) 3.675 1.590 ( -0.064 0.536 -0.201) 0.576 1.616 ( 0.394 0.641 -0.619) 0.974 1.641 ( -1.210 -1.005 1.420) 2.119 1.677 ( 0.711 1.584 -0.094) 1.739 1.732 ( -0.167 -1.596 0.686) 1.745 1.800 ( 2.137 1.684 -0.472) 2.761 1.819 ( -0.264 -0.227 0.378) 0.513 2.118 ( 0.116 2.991 0.400) 3.020 2.183 ( -0.985 -2.248 -0.942) 2.629 2.228 ( -1.769 2.351 0.056) 2.942 2.281 ( 0.386 -0.464 -0.243) 0.651 2.374 ( -1.110 -2.820 -2.206) 3.749 2.389 ( 1.166 -1.205 -1.140) 2.028 2.481 ( 1.940 5.013 -0.529) 5.402 2.527 ( -4.108 0.976 -0.330) 4.235 2.573 ( -4.559 -3.224 -0.152) 5.586 2.628 ( 2.635 -4.223 -1.045) 5.086 2.716 ( 4.858 3.821 -4.336) 7.550 2.785 ( 3.613 -2.452 -1.553) 4.634 2.893 ( -0.512 4.962 3.514) 6.102 2.989 ( -2.994 1.648 -0.457) 3.448 3.039 ( -3.104 -3.043 -0.239) 4.353 3.065 ( 1.113 -7.509 0.831) 7.637 3.288 ( 1.291 3.579 2.221) 4.405 3.304 ( -1.000 5.444 -1.379) 5.704 3.377 ( 2.907 -2.838 1.954) 4.509 3.416 ( -1.270 -3.468 -0.982) 3.821 3.490 ( -1.074 0.938 0.339) 1.465 3.516 ( 0.500 -1.083 -1.526) 1.936 3.642 ( -0.159 -0.176 0.169) 0.291 3.686 ( -0.718 -2.683 -0.259) 2.790 3.823 ( -0.876 1.339 1.636) 2.288 3.854 ( -1.840 -1.548 0.692) 2.502 3.947 ( -1.361 3.667 -0.425) 3.934 4.004 ( -1.485 -1.879 -2.105) 3.189 4.102 ( 1.176 1.616 2.549) 3.239 4.141 ( 1.103 -2.125 2.370) 3.369 4.337 ( 1.416 1.543 -2.056) 2.935 4.362 ( 1.937 -1.068 -1.528) 2.689 4.448 ( 0.300 1.400 -1.990) 2.452 4.479 ( -0.230 -1.436 -2.579) 2.961 4.562 ( -0.229 1.369 3.098) 3.395 4.600 ( -1.841 -2.226 2.235) 3.652 4.770 ( 0.155 2.990 0.641) 3.062 4.834 ( 1.627 -3.069 -1.064) 3.632 5.018 ( 0.281 0.868 -0.123) 0.921 5.028 ( 0.423 -0.138 -0.440) 0.625 5.547 ( -0.834 3.501 2.208) 4.222 5.613 ( -0.899 -2.671 2.741) 3.931 5.686 ( 1.182 6.883 -0.787) 7.028 5.821 ( 0.822 -6.186 -1.200) 6.355 7.509 ( 0.368 1.093 -0.714) 1.356 7.517 ( 0.347 0.084 -0.611) 0.707 7.829 ( -1.306 6.272 3.242) 7.180 7.956 ( 0.181 -6.171 0.989) 6.253 8.945 ( 3.305 4.187 -0.394) 5.349 9.001 ( -3.613 -1.287 -1.166) 4.008 9.059 ( -0.916 1.188 -3.455) 3.766 9.095 ( 0.824 -1.939 -5.843) 6.212 12.207 ( -0.257 5.297 2.407) 5.824 12.328 ( 0.338 -6.489 -0.024) 6.498 13.091 ( -0.246 2.542 0.606) 2.625 13.157 ( 0.755 -3.737 -0.717) 3.880 14.045 ( 1.071 3.880 0.918) 4.128 14.117 ( 0.297 -2.519 -0.604) 2.608 14.233 ( -1.061 4.057 0.124) 4.195 14.330 ( -1.405 -4.741 -1.988) 5.330 14.725 ( 2.788 3.875 -1.650) 5.051 14.757 ( -0.807 0.949 -2.711) 2.984 15.070 ( -0.265 4.506 9.832) 10.819 15.224 ( -1.152 -9.480 5.092) 10.822 16.239 ( 0.760 5.726 -3.007) 6.512 16.353 ( 1.031 -5.285 -4.645) 7.111 16.502 ( -0.212 1.465 0.632) 1.610 16.534 ( -1.535 -1.652 0.316) 2.277 ======================= Grid point 71 (39/72) ======================= q-point: ( 0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.200 10.883 0.946) 11.704 1.072 ( -1.743 9.712 2.610) 10.206 1.091 ( 1.740 3.891 -2.745) 5.070 1.185 ( -2.812 -0.137 -2.517) 3.777 1.207 ( 0.427 -3.516 1.845) 3.993 1.232 ( -0.194 -0.897 0.057) 0.919 1.271 ( -2.869 -6.066 2.863) 7.296 1.302 ( -1.885 -5.075 3.350) 6.366 1.490 ( -4.577 1.300 -0.904) 4.843 1.511 ( -4.811 -0.413 -0.507) 4.856 1.646 ( 0.630 0.776 0.750) 1.250 1.665 ( 1.513 -0.261 1.513) 2.156 1.698 ( 1.626 2.026 -0.888) 2.746 1.740 ( 0.407 -0.924 0.098) 1.014 1.816 ( -0.808 0.815 1.659) 2.017 1.829 ( 0.507 0.759 0.533) 1.057 2.124 ( -1.424 1.173 0.481) 1.907 2.159 ( 0.111 -1.766 -2.220) 2.839 2.189 ( -0.783 3.367 -0.627) 3.513 2.271 ( -2.964 -1.596 1.012) 3.515 2.301 ( -2.252 1.147 -1.794) 3.099 2.389 ( -0.121 -2.351 -0.508) 2.408 2.458 ( -1.687 -0.870 -2.573) 3.198 2.499 ( -0.399 -2.398 -2.276) 3.330 2.562 ( 5.371 3.307 2.059) 6.635 2.658 ( 1.316 -3.618 0.446) 3.875 2.763 ( 3.208 1.343 -3.012) 4.601 2.789 ( -0.948 -0.448 -1.507) 1.836 2.899 ( -4.546 3.088 3.942) 6.763 2.955 ( -1.928 -1.826 1.022) 2.845 3.003 ( 2.774 4.021 -0.259) 4.891 3.121 ( 2.314 -5.936 1.359) 6.515 3.259 ( -1.983 1.678 -1.772) 3.145 3.282 ( -2.587 -0.111 -1.145) 2.831 3.395 ( -0.198 2.696 -1.263) 2.983 3.443 ( -0.119 4.708 1.616) 4.979 3.478 ( 1.344 -4.577 0.777) 4.833 3.542 ( 4.231 -4.327 -1.196) 6.169 3.637 ( -1.388 0.419 0.147) 1.457 3.669 ( 0.090 -1.551 -1.249) 1.994 3.850 ( 0.769 0.156 2.032) 2.178 3.857 ( 1.132 -0.524 3.231) 3.464 3.919 ( -0.534 1.921 -0.983) 2.223 3.964 ( -0.619 -2.522 -1.717) 3.113 4.132 ( -0.512 1.611 1.637) 2.353 4.166 ( -0.539 -1.804 1.369) 2.328 4.351 ( 0.622 2.419 -0.552) 2.558 4.382 ( 1.154 -1.256 -1.447) 2.237 4.420 ( -0.383 2.431 -2.977) 3.863 4.447 ( 1.454 0.138 -2.553) 2.942 4.563 ( -3.480 -0.784 1.190) 3.760 4.583 ( -1.679 -2.588 2.531) 3.990 4.799 ( 1.630 3.587 0.900) 4.041 4.868 ( 2.318 -2.977 -0.164) 3.776 5.035 ( 1.753 0.368 -0.694) 1.921 5.045 ( 2.620 -0.434 -0.033) 2.656 5.525 ( -4.144 3.861 1.738) 5.925 5.599 ( -4.384 -3.085 2.887) 6.089 5.687 ( -0.113 6.002 -0.836) 6.061 5.797 ( -1.559 -4.497 -1.533) 5.000 7.523 ( 2.657 2.180 -1.087) 3.605 7.557 ( 4.158 -1.030 -0.345) 4.297 7.846 ( -0.946 6.266 3.336) 7.161 7.973 ( 0.442 -6.110 1.467) 6.299 8.770 ( -12.073 3.935 -3.042) 13.057 8.841 ( -11.452 -2.867 -2.246) 12.017 9.092 ( 6.514 5.265 -2.730) 8.810 9.176 ( 6.344 -3.057 -1.377) 7.176 12.247 ( 1.499 4.375 2.687) 5.348 12.347 ( 2.044 -5.292 -0.396) 5.687 13.077 ( -1.872 2.893 0.637) 3.504 13.153 ( -0.220 -4.266 -0.705) 4.329 14.085 ( 1.473 2.128 0.475) 2.631 14.100 ( -0.717 1.399 -1.640) 2.271 14.253 ( 2.226 -0.454 2.151) 3.128 14.289 ( -0.358 -3.251 -1.169) 3.473 14.696 ( -2.558 4.061 -3.136) 5.733 14.756 ( 1.554 -1.216 -2.135) 2.907 15.185 ( 1.531 3.724 8.125) 9.068 15.301 ( 3.865 -6.476 4.868) 8.976 16.200 ( -1.213 4.638 -2.812) 5.557 16.292 ( -1.765 -4.133 -4.669) 6.480 16.506 ( -0.264 0.639 0.989) 1.207 16.525 ( 0.201 -1.231 0.274) 1.277 ======================= Grid point 72 (40/72) ======================= q-point: ( 0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -3.719 3.752 -3.775) 6.493 1.044 ( 0.060 4.912 -2.718) 5.615 1.072 ( -1.550 4.155 -1.012) 4.548 1.122 ( 0.353 5.158 -0.184) 5.173 1.162 ( -1.337 -1.969 -0.978) 2.573 1.231 ( -1.866 -1.298 0.590) 2.348 1.259 ( -2.609 -4.960 2.919) 6.319 1.299 ( -2.124 -2.697 -0.101) 3.434 1.443 ( -1.995 1.410 2.110) 3.228 1.500 ( 1.079 -3.565 3.918) 5.406 1.656 ( -1.292 2.647 1.236) 3.194 1.689 ( 0.598 0.615 -1.195) 1.471 1.702 ( 0.567 0.913 -0.694) 1.280 1.744 ( 0.242 -1.624 -0.307) 1.670 1.821 ( -1.399 1.016 2.089) 2.711 1.835 ( -0.336 0.050 0.538) 0.636 2.094 ( -1.798 1.908 0.720) 2.719 2.141 ( 0.888 1.384 -2.266) 2.800 2.172 ( -0.717 -0.944 -0.271) 1.215 2.207 ( -3.167 -2.547 0.015) 4.064 2.302 ( 1.392 -0.255 -0.243) 1.436 2.348 ( -2.585 -4.211 -2.131) 5.381 2.423 ( -0.406 3.083 -0.466) 3.145 2.494 ( 1.553 -2.944 -1.348) 3.591 2.676 ( 2.493 -0.223 -0.802) 2.628 2.689 ( 1.902 -0.889 -1.624) 2.655 2.752 ( -0.163 3.804 3.562) 5.214 2.816 ( 4.258 -1.715 2.658) 5.304 2.852 ( -4.435 2.873 3.239) 6.198 2.939 ( -0.554 -3.421 -0.377) 3.486 3.044 ( -0.119 5.171 -0.426) 5.190 3.132 ( -2.134 -3.102 -1.375) 4.008 3.204 ( -2.858 -1.749 -1.755) 3.782 3.212 ( -1.536 -1.837 -0.520) 2.450 3.398 ( 2.982 5.255 -0.744) 6.088 3.451 ( 1.264 2.123 -0.208) 2.480 3.538 ( 2.451 -0.707 1.424) 2.922 3.583 ( -0.058 -2.414 0.336) 2.438 3.629 ( 0.838 2.381 0.812) 2.652 3.694 ( 4.587 -3.937 0.305) 6.052 3.847 ( -2.624 3.085 -0.723) 4.114 3.916 ( 1.711 -0.082 2.951) 3.412 3.934 ( -0.346 -2.820 -0.364) 2.864 3.958 ( 2.383 -1.794 0.230) 2.992 4.125 ( -2.148 1.244 1.529) 2.915 4.157 ( -2.719 -1.772 2.210) 3.926 4.305 ( -0.162 2.405 -5.046) 5.592 4.357 ( 0.696 -2.729 -4.583) 5.379 4.423 ( 0.426 4.549 0.501) 4.596 4.471 ( 1.465 -0.512 1.283) 2.014 4.516 ( -2.182 0.513 -0.030) 2.242 4.569 ( -2.207 -4.019 1.210) 4.742 4.831 ( 0.889 3.768 0.787) 3.951 4.895 ( 0.632 -2.178 0.316) 2.289 5.064 ( 2.263 1.637 -0.656) 2.869 5.105 ( 3.830 -2.054 -0.896) 4.438 5.455 ( -4.820 3.430 0.926) 5.988 5.531 ( -6.174 -3.417 2.156) 7.379 5.672 ( -0.091 4.615 -1.257) 4.784 5.751 ( -1.515 -2.784 -1.520) 3.515 7.574 ( 4.337 2.958 -1.001) 5.344 7.633 ( 4.718 -2.471 -0.671) 5.368 7.861 ( -1.109 6.917 2.346) 7.388 8.003 ( 0.902 -6.574 1.172) 6.738 8.555 ( -9.065 3.943 -1.159) 9.953 8.624 ( -10.626 -2.620 -0.772) 10.972 9.163 ( 3.490 5.326 -0.320) 6.376 9.251 ( 3.653 -3.276 -0.827) 4.976 12.303 ( 1.633 3.404 1.934) 4.242 12.382 ( 2.743 -4.128 -1.240) 5.109 13.047 ( -2.414 3.667 0.689) 4.444 13.137 ( -0.416 -4.955 -1.105) 5.094 14.065 ( -0.716 2.614 -1.045) 2.905 14.103 ( 0.140 -1.024 -0.088) 1.037 14.293 ( 0.469 0.468 0.592) 0.889 14.324 ( 2.474 -2.747 1.449) 3.971 14.630 ( -1.221 5.443 -1.179) 5.701 14.740 ( 0.088 -5.204 -0.998) 5.300 15.283 ( 2.204 6.948 2.749) 7.790 15.413 ( 3.595 -5.058 1.581) 6.404 16.152 ( -1.133 2.707 -1.390) 3.247 16.211 ( -2.572 -2.737 -2.555) 4.543 16.515 ( -0.130 0.342 1.122) 1.180 16.540 ( 0.801 -2.273 0.524) 2.466 ======================= Grid point 73 (41/72) ======================= q-point: ( 0.43 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.763 1.505 -2.597) 3.097 0.996 ( -0.405 -1.721 -2.408) 2.987 1.067 ( 0.934 3.868 0.223) 3.985 1.121 ( -1.078 0.318 0.914) 1.448 1.172 ( 0.699 0.629 -0.294) 0.985 1.196 ( -0.396 -0.210 -0.310) 0.546 1.250 ( -1.064 -1.390 1.633) 2.394 1.264 ( -1.221 -0.909 0.071) 1.523 1.428 ( -2.671 3.610 0.849) 4.570 1.539 ( -1.197 -5.109 1.340) 5.415 1.618 ( -2.184 3.778 -1.122) 4.506 1.681 ( -0.643 -1.567 -1.322) 2.148 1.707 ( 1.300 2.230 0.081) 2.582 1.752 ( 0.439 -1.519 0.200) 1.593 1.798 ( -2.291 2.433 0.410) 3.367 1.834 ( 0.165 -0.909 -0.748) 1.189 2.075 ( -1.795 1.057 1.136) 2.373 2.142 ( 0.675 3.866 -0.484) 3.954 2.161 ( -1.136 -6.106 0.328) 6.219 2.194 ( 3.326 0.438 -1.899) 3.855 2.296 ( -0.387 -2.993 -1.400) 3.327 2.314 ( 0.237 -3.851 0.436) 3.883 2.431 ( 0.246 4.730 2.295) 5.263 2.523 ( 2.013 -3.727 0.932) 4.338 2.653 ( 0.208 0.266 -3.109) 3.128 2.673 ( 0.755 -1.371 -4.104) 4.393 2.764 ( -3.755 4.441 1.558) 6.020 2.804 ( -3.998 1.176 0.980) 4.281 2.951 ( 2.266 -1.364 1.754) 3.173 2.961 ( -4.374 -1.323 0.812) 4.642 3.011 ( 5.292 1.559 1.204) 5.647 3.058 ( -1.329 -2.870 0.567) 3.213 3.171 ( 0.336 1.301 -0.311) 1.380 3.215 ( -0.225 -2.462 2.659) 3.631 3.456 ( 0.391 4.605 -2.319) 5.171 3.464 ( 3.718 3.260 0.085) 4.946 3.571 ( -0.103 -0.266 0.583) 0.649 3.582 ( -1.005 -1.024 2.325) 2.732 3.690 ( 3.005 5.297 3.729) 7.141 3.777 ( -0.465 2.501 -1.484) 2.945 3.809 ( 2.632 -3.075 0.438) 4.071 3.892 ( -2.017 -8.434 -0.530) 8.688 3.971 ( 0.042 0.965 1.803) 2.045 3.983 ( 0.648 -0.080 0.892) 1.105 4.091 ( -2.324 0.704 -0.497) 2.478 4.118 ( -2.881 -1.466 0.061) 3.233 4.282 ( 1.331 1.858 -1.910) 2.978 4.331 ( 1.528 -2.620 -3.913) 4.950 4.425 ( 0.652 4.002 -0.027) 4.055 4.484 ( -0.139 -1.104 -0.326) 1.159 4.512 ( -0.266 0.480 1.688) 1.775 4.549 ( -0.940 -3.270 0.638) 3.462 4.850 ( 0.277 3.251 0.871) 3.377 4.900 ( -0.523 -1.588 0.618) 1.783 5.085 ( 0.986 2.587 -1.331) 3.071 5.131 ( 1.216 -0.859 -2.604) 2.999 5.409 ( -1.428 0.649 0.911) 1.814 5.458 ( -3.893 -3.187 1.678) 5.303 5.661 ( 0.484 3.670 -1.261) 3.910 5.719 ( -0.066 -1.779 -1.498) 2.327 7.640 ( 3.682 2.592 -0.261) 4.510 7.692 ( 2.343 -2.000 -0.105) 3.083 7.848 ( -1.747 6.621 -0.158) 6.850 7.994 ( -1.931 -7.091 -2.616) 7.801 8.468 ( -1.243 2.077 2.623) 3.569 8.493 ( -4.656 -0.418 2.305) 5.212 9.205 ( 1.154 4.754 0.687) 4.940 9.284 ( 1.397 -3.045 -0.858) 3.458 12.331 ( -0.299 3.230 0.518) 3.285 12.406 ( 1.766 -3.936 -1.948) 4.733 13.013 ( -1.733 4.269 0.046) 4.607 13.114 ( -0.114 -5.397 -2.210) 5.833 14.060 ( 0.525 2.387 0.921) 2.612 14.108 ( 0.269 -2.233 0.924) 2.431 14.290 ( -0.885 2.380 -0.742) 2.646 14.345 ( -0.185 -3.266 -1.452) 3.579 14.648 ( 1.459 6.236 3.980) 7.540 14.778 ( 2.129 -6.452 4.665) 8.242 15.293 ( -0.973 8.689 -3.547) 9.436 15.435 ( -0.044 -4.602 -3.453) 5.754 16.140 ( 0.105 1.102 0.097) 1.112 16.167 ( 0.057 -1.661 -0.245) 1.680 16.523 ( -0.550 0.147 1.316) 1.434 16.556 ( 0.291 -3.172 0.526) 3.229 ======================= Grid point 74 (42/72) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.094 2.733 -2.403) 3.800 1.015 ( 4.558 -2.240 -1.738) 5.368 1.088 ( 1.347 0.329 0.745) 1.574 1.098 ( -0.639 1.381 -1.284) 1.991 1.182 ( -0.278 0.936 -0.848) 1.294 1.203 ( 0.479 -0.753 0.777) 1.184 1.260 ( 0.035 -0.645 0.973) 1.168 1.267 ( 0.260 -0.750 2.668) 2.783 1.392 ( -0.351 3.257 0.396) 3.300 1.497 ( -3.006 -4.118 0.448) 5.119 1.584 ( 0.169 3.468 -1.445) 3.761 1.647 ( -0.527 -2.168 -2.629) 3.448 1.731 ( 0.877 2.817 -0.358) 2.972 1.756 ( 0.490 0.371 -0.381) 0.723 1.776 ( -1.027 1.769 0.725) 2.171 1.821 ( -0.751 -2.050 -0.776) 2.317 2.071 ( 0.178 1.006 1.518) 1.830 2.145 ( 0.599 -5.182 0.405) 5.233 2.172 ( 2.119 2.838 -0.556) 3.585 2.234 ( 3.698 -1.237 -2.916) 4.869 2.292 ( -0.507 -1.277 1.713) 2.196 2.332 ( 0.390 -3.798 1.191) 3.999 2.491 ( 3.132 4.599 3.177) 6.407 2.554 ( 1.198 -1.131 -2.398) 2.910 2.617 ( -0.700 -0.386 -4.124) 4.201 2.650 ( 0.484 -3.725 -2.491) 4.507 2.710 ( -2.413 3.896 1.155) 4.726 2.761 ( -0.518 1.280 1.285) 1.886 2.845 ( -5.856 1.603 0.635) 6.105 2.954 ( -2.285 -5.176 1.450) 5.840 3.089 ( 1.880 2.899 1.168) 3.647 3.136 ( 3.359 -1.278 -0.461) 3.623 3.194 ( 1.747 3.083 1.018) 3.687 3.265 ( 1.228 -3.089 4.196) 5.353 3.411 ( -1.332 7.689 -2.994) 8.358 3.515 ( 1.504 -0.517 0.364) 1.632 3.560 ( -1.726 -0.191 1.329) 2.187 3.593 ( -2.357 -1.523 3.340) 4.363 3.716 ( -2.175 1.005 1.330) 2.740 3.761 ( -4.115 -2.190 -1.304) 4.840 3.812 ( 2.539 3.405 1.967) 4.680 3.898 ( -0.360 -3.772 0.362) 3.806 3.971 ( -1.148 1.470 1.031) 2.131 4.009 ( -0.535 -2.149 0.802) 2.356 4.051 ( -0.002 0.778 -2.184) 2.318 4.096 ( 1.600 -3.032 0.149) 3.431 4.281 ( 1.025 2.399 -1.473) 2.996 4.322 ( 2.228 -1.540 -2.820) 3.910 4.466 ( 2.706 1.758 1.277) 3.470 4.494 ( 0.043 -1.307 0.856) 1.563 4.501 ( -1.184 1.000 -0.290) 1.576 4.546 ( 0.444 -2.673 -0.696) 2.797 4.855 ( -1.504 2.658 1.653) 3.472 4.892 ( -1.120 -1.115 0.721) 1.737 5.068 ( -0.246 2.226 -2.164) 3.114 5.101 ( -0.683 -0.103 -3.167) 3.241 5.409 ( 0.174 0.623 0.996) 1.188 5.455 ( 1.341 -3.289 1.342) 3.797 5.661 ( 0.935 3.534 -1.132) 3.827 5.720 ( 2.001 -1.966 -1.518) 3.189 7.667 ( -1.241 2.959 -0.539) 3.253 7.697 ( -2.819 0.211 1.607) 3.252 7.833 ( 1.314 1.481 -0.550) 2.055 7.898 ( -2.594 -4.452 -4.511) 6.848 8.514 ( 3.165 2.739 2.865) 5.073 8.556 ( 6.283 -1.212 3.587) 7.336 9.222 ( -0.109 3.838 1.021) 3.973 9.284 ( -0.216 -2.294 -0.924) 2.482 12.304 ( -2.643 4.069 -0.256) 4.859 12.397 ( -0.245 -4.887 -1.865) 5.237 12.999 ( 0.553 4.072 -0.200) 4.114 13.094 ( 1.235 -4.999 -2.625) 5.779 14.100 ( 1.537 1.535 2.555) 3.354 14.127 ( -0.126 -1.003 1.330) 1.671 14.260 ( -0.456 1.255 -1.444) 1.967 14.297 ( -2.103 -2.584 -2.981) 4.471 14.748 ( 1.796 7.151 8.136) 10.980 14.889 ( 1.113 -6.661 8.780) 11.077 15.175 ( -4.928 9.515 -8.018) 13.383 15.342 ( -3.474 -6.357 -7.315) 10.295 16.153 ( 1.493 2.740 0.472) 3.156 16.210 ( 4.150 -2.695 0.227) 4.953 16.521 ( -1.376 0.250 1.399) 1.978 16.562 ( -0.269 -3.605 0.652) 3.674 ======================= Grid point 75 (43/72) ======================= q-point: (-0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.828 8.287 -2.849) 8.802 0.999 ( -2.905 5.247 -4.515) 7.507 1.093 ( 2.076 1.410 -0.823) 2.641 1.121 ( -0.092 -1.527 -0.951) 1.802 1.176 ( 0.946 -3.111 -0.690) 3.324 1.188 ( 0.323 -4.649 -1.228) 4.819 1.292 ( 0.462 -1.087 3.364) 3.566 1.308 ( 0.739 -1.913 2.582) 3.297 1.443 ( 3.672 3.592 1.955) 5.496 1.504 ( 2.089 -0.448 1.896) 2.857 1.599 ( 2.268 0.357 -0.836) 2.443 1.622 ( 0.902 -0.564 -1.007) 1.465 1.732 ( -0.291 2.433 -0.195) 2.459 1.744 ( -1.849 0.851 -0.344) 2.064 1.767 ( -0.669 0.308 0.294) 0.793 1.805 ( 0.515 -2.148 -0.700) 2.317 2.113 ( 2.017 1.953 1.650) 3.256 2.177 ( 1.549 -4.056 1.145) 4.491 2.202 ( 1.244 2.576 -0.820) 2.976 2.269 ( 3.954 -1.388 -1.551) 4.468 2.301 ( -0.624 0.749 1.584) 1.860 2.358 ( 1.475 -3.646 0.452) 3.959 2.503 ( -0.598 3.224 -4.546) 5.606 2.567 ( -0.563 2.778 3.259) 4.319 2.573 ( 1.396 -2.809 -3.550) 4.737 2.624 ( 1.441 -2.387 -2.658) 3.852 2.735 ( 0.736 3.226 2.631) 4.228 2.767 ( -2.417 7.438 3.159) 8.435 2.831 ( 2.688 -5.087 1.388) 5.918 2.947 ( -0.340 -7.039 2.114) 7.357 3.077 ( -3.068 4.233 -0.777) 5.285 3.143 ( -0.379 -2.181 -1.592) 2.726 3.227 ( 1.032 3.367 0.000) 3.522 3.310 ( -0.331 -4.056 1.462) 4.324 3.382 ( 1.473 7.966 -2.429) 8.458 3.500 ( -2.731 -2.417 0.387) 3.667 3.549 ( -3.080 -0.382 2.705) 4.116 3.557 ( -2.599 -2.155 -1.012) 3.524 3.678 ( -1.979 1.560 1.007) 2.714 3.742 ( -0.756 -4.123 2.275) 4.769 3.831 ( -1.438 2.147 0.103) 2.586 3.871 ( -2.468 -1.452 1.250) 3.124 3.966 ( -0.442 3.681 1.522) 4.007 4.009 ( 0.570 -1.251 0.764) 1.573 4.044 ( 1.334 1.269 -1.918) 2.658 4.118 ( 0.127 -4.496 -1.358) 4.698 4.306 ( 2.840 3.298 -0.720) 4.412 4.362 ( 3.403 -2.249 0.329) 4.092 4.463 ( -0.748 0.979 -1.377) 1.848 4.487 ( -0.479 -1.605 -2.563) 3.062 4.519 ( 1.499 1.393 1.014) 2.284 4.562 ( 0.866 -2.360 1.045) 2.722 4.828 ( -3.434 2.970 1.515) 4.787 4.877 ( -1.535 -1.848 0.221) 2.412 5.043 ( -0.094 1.000 -1.659) 1.939 5.053 ( -1.187 0.393 -1.911) 2.284 5.445 ( 2.727 2.697 0.847) 3.928 5.510 ( 3.025 -3.334 1.242) 4.670 5.666 ( 1.082 4.522 -1.163) 4.793 5.752 ( 3.343 -3.694 -1.364) 5.165 7.600 ( -4.006 2.392 -1.008) 4.773 7.634 ( -5.158 -0.892 -0.054) 5.235 7.824 ( -1.491 2.989 0.931) 3.467 7.895 ( 3.207 -4.133 -0.527) 5.258 8.642 ( 8.800 4.784 0.692) 10.040 8.727 ( 9.599 -3.424 1.482) 10.298 9.225 ( -0.802 2.252 0.776) 2.513 9.256 ( -2.079 -0.953 -0.840) 2.436 12.248 ( -3.345 5.121 0.234) 6.121 12.365 ( -1.416 -6.163 -0.992) 6.401 13.027 ( 2.289 3.326 0.261) 4.046 13.105 ( 2.650 -4.163 -1.687) 5.215 14.106 ( -2.439 2.662 -0.867) 3.714 14.151 ( 0.345 -0.811 1.953) 2.142 14.226 ( -1.651 0.874 -1.516) 2.405 14.277 ( 2.520 -3.123 0.775) 4.087 14.853 ( -1.422 5.831 6.692) 8.989 14.954 ( -4.547 -2.727 6.046) 8.042 14.984 ( -4.959 9.633 -8.058) 13.502 15.206 ( -2.343 -10.411 -3.976) 11.388 16.197 ( 3.213 4.859 -0.651) 5.862 16.294 ( 5.316 -4.309 -0.861) 6.897 16.508 ( -1.578 1.241 1.157) 2.317 16.563 ( -0.743 -3.825 1.080) 4.043 ======================= Grid point 76 (44/72) ======================= q-point: (-0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -2.027 8.668 -0.331) 8.908 0.969 ( 3.512 9.182 -0.955) 9.877 1.067 ( -0.890 -1.835 -1.587) 2.584 1.118 ( 0.354 3.193 0.083) 3.214 1.184 ( 1.978 -5.674 -1.172) 6.123 1.227 ( 1.568 -4.040 1.302) 4.525 1.323 ( 0.036 -0.382 1.300) 1.355 1.339 ( -0.455 -1.114 1.697) 2.081 1.527 ( 3.733 2.692 1.072) 4.725 1.557 ( 1.914 0.214 0.409) 1.969 1.618 ( 1.102 1.646 -0.265) 1.998 1.652 ( 0.240 -1.414 1.303) 1.938 1.689 ( -2.945 1.716 0.650) 3.470 1.733 ( -0.284 -0.685 0.077) 0.745 1.771 ( 1.266 1.588 -0.168) 2.038 1.815 ( 1.034 -1.578 -0.650) 1.995 2.133 ( -1.439 4.172 0.116) 4.415 2.197 ( 0.828 -0.412 -0.574) 1.089 2.220 ( 0.110 -0.243 2.635) 2.649 2.287 ( 0.120 -3.433 -1.404) 3.711 2.348 ( 3.678 1.703 0.131) 4.055 2.383 ( 2.131 -2.688 -1.682) 3.820 2.473 ( 0.856 5.021 -1.619) 5.344 2.575 ( 2.253 -2.996 -1.040) 3.890 2.577 ( -1.187 1.385 1.036) 2.097 2.626 ( 0.361 -2.549 -1.037) 2.776 2.737 ( -1.115 1.618 -0.670) 2.076 2.765 ( -0.910 0.781 -0.890) 1.494 2.873 ( 0.247 2.231 0.841) 2.397 2.990 ( 1.796 -4.618 2.658) 5.623 3.040 ( -0.674 0.748 0.501) 1.125 3.101 ( -2.319 -4.977 -0.273) 5.497 3.245 ( 1.646 3.135 -0.331) 3.556 3.301 ( 0.603 0.749 -0.981) 1.374 3.369 ( -1.583 2.575 -0.317) 3.039 3.468 ( -1.819 -3.902 -1.425) 4.535 3.497 ( -1.956 0.943 0.899) 2.350 3.530 ( -1.143 -0.838 0.409) 1.475 3.658 ( -1.683 0.655 0.162) 1.813 3.716 ( -2.768 -3.680 0.138) 4.607 3.822 ( -0.564 2.260 1.433) 2.735 3.865 ( -0.772 -1.679 1.631) 2.465 3.971 ( -0.952 5.578 0.395) 5.672 4.032 ( 0.639 -0.403 0.643) 0.992 4.064 ( 1.340 -0.491 -0.299) 1.458 4.095 ( -0.041 -3.091 1.065) 3.269 4.332 ( 1.972 2.328 -2.274) 3.805 4.381 ( -0.561 -2.743 -2.333) 3.644 4.458 ( 0.992 0.661 -1.569) 1.971 4.475 ( 1.597 -0.924 0.190) 1.855 4.541 ( 0.381 1.801 0.458) 1.897 4.585 ( 0.004 -2.397 2.188) 3.246 4.785 ( -2.561 3.089 0.886) 4.109 4.845 ( -1.240 -2.656 -0.923) 3.073 5.024 ( -0.551 0.942 -0.436) 1.175 5.031 ( -0.056 0.124 -0.666) 0.680 5.509 ( 2.555 3.461 1.604) 4.591 5.575 ( 2.121 -2.815 1.987) 4.046 5.673 ( 1.361 6.109 -1.256) 6.383 5.797 ( 3.141 -5.806 -1.165) 6.703 7.532 ( -2.282 1.473 -0.902) 2.862 7.553 ( -3.272 -0.653 -0.511) 3.376 7.820 ( -1.411 5.674 2.610) 6.403 7.936 ( 1.230 -5.704 0.715) 5.878 8.811 ( 10.662 4.977 -1.604) 11.875 8.900 ( 9.351 -3.707 -0.405) 10.067 9.182 ( -5.314 0.732 -1.600) 5.597 9.195 ( -2.765 -0.279 -1.728) 3.273 12.207 ( -2.219 5.621 1.425) 6.209 12.336 ( -1.048 -6.884 -0.184) 6.966 13.070 ( 1.732 2.802 0.648) 3.357 13.138 ( 2.316 -3.703 -0.814) 4.443 14.052 ( -2.004 3.918 -0.634) 4.446 14.130 ( -1.290 -3.667 -0.916) 3.993 14.235 ( 0.507 4.898 1.411) 5.123 14.335 ( 2.064 -4.697 0.707) 5.179 14.762 ( -3.736 5.604 -4.698) 8.212 14.834 ( -4.770 -0.639 -4.461) 6.562 14.989 ( -1.550 7.404 8.770) 11.581 15.197 ( -1.224 -11.296 4.364) 12.172 16.236 ( 2.780 5.871 -2.191) 6.855 16.354 ( 3.608 -5.564 -2.921) 7.246 16.499 ( -0.612 2.259 0.891) 2.505 16.556 ( -1.412 -3.275 0.857) 3.668 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.436 0.000 14.089) 14.096 0.669 ( -1.918 0.000 14.270) 14.398 0.883 ( -2.184 0.000 -8.967) 9.229 0.930 ( 0.870 0.000 -10.600) 10.635 1.073 ( -3.001 0.000 12.250) 12.612 1.217 ( 6.596 0.000 -3.065) 7.274 1.368 ( 0.319 0.000 3.565) 3.580 1.417 ( -0.473 0.000 -0.650) 0.804 1.419 ( 4.202 0.000 4.988) 6.522 1.531 ( -3.500 0.000 -5.818) 6.790 1.567 ( 3.707 0.000 4.967) 6.198 1.688 ( 1.576 0.000 -0.645) 1.703 1.705 ( -2.521 0.000 -5.299) 5.868 1.713 ( -2.035 0.000 -2.484) 3.211 1.755 ( -3.033 0.000 0.581) 3.088 1.772 ( 1.643 0.000 -0.628) 1.759 2.053 ( -8.033 0.000 -0.982) 8.092 2.061 ( 7.856 0.000 -1.302) 7.963 2.195 ( 1.712 0.000 0.199) 1.724 2.216 ( -2.369 0.000 -1.277) 2.691 2.447 ( 1.636 0.000 3.156) 3.555 2.506 ( -1.090 0.000 -2.327) 2.570 2.507 ( 1.868 0.000 0.561) 1.950 2.543 ( -1.475 0.000 -1.378) 2.018 2.652 ( -1.909 0.000 -2.150) 2.876 2.663 ( 1.799 0.000 -1.888) 2.608 2.778 ( 3.972 0.000 4.274) 5.835 2.833 ( -5.953 0.000 -1.743) 6.203 2.859 ( -0.765 0.000 6.063) 6.112 2.958 ( 3.220 0.000 -2.124) 3.857 3.006 ( -2.151 0.000 0.139) 2.156 3.038 ( 0.358 0.000 -3.303) 3.323 3.219 ( -1.512 0.000 2.741) 3.130 3.294 ( 1.239 0.000 -3.772) 3.971 3.460 ( 4.806 0.000 0.990) 4.907 3.473 ( -4.155 0.000 0.988) 4.271 3.506 ( -7.676 0.000 -0.302) 7.682 3.535 ( 6.767 0.000 -2.371) 7.171 3.787 ( 1.704 0.000 1.895) 2.548 3.819 ( 1.847 0.000 -1.428) 2.334 3.844 ( 3.872 0.000 1.575) 4.180 3.859 ( -3.698 0.000 -0.383) 3.718 3.984 ( 1.879 0.000 3.706) 4.155 4.002 ( -1.744 0.000 3.489) 3.901 4.100 ( 0.702 0.000 1.686) 1.827 4.115 ( -2.306 0.000 -3.425) 4.129 4.238 ( -0.049 0.000 -1.487) 1.488 4.281 ( -3.528 0.000 -3.735) 5.138 4.458 ( -2.341 0.000 2.108) 3.151 4.488 ( 2.840 0.000 -0.602) 2.903 4.655 ( -2.936 0.000 1.329) 3.223 4.691 ( 1.520 0.000 -2.279) 2.739 4.910 ( -2.768 0.000 0.721) 2.860 4.929 ( 3.821 0.000 -0.813) 3.907 5.103 ( -4.896 0.000 0.973) 4.992 5.129 ( 10.929 0.000 -1.356) 11.013 5.416 ( 4.022 0.000 4.001) 5.674 5.504 ( -3.197 0.000 -4.373) 5.417 5.512 ( 1.268 0.000 5.010) 5.168 5.613 ( -8.638 0.000 -4.481) 9.731 7.402 ( -1.522 0.000 1.670) 2.259 7.453 ( 2.308 0.000 -3.066) 3.837 7.746 ( -5.998 0.000 9.558) 11.284 7.952 ( 7.463 0.000 -10.140) 12.590 8.578 ( 4.405 0.000 6.770) 8.077 8.712 ( -8.368 0.000 -6.062) 10.333 9.089 ( -6.674 0.000 2.332) 7.070 9.127 ( 6.955 0.000 -1.256) 7.068 12.185 ( -1.172 0.000 8.640) 8.719 12.386 ( 2.056 0.000 -10.656) 10.853 13.236 ( -3.222 0.000 3.394) 4.680 13.277 ( 2.779 0.000 -0.812) 2.895 13.954 ( 5.042 0.000 1.118) 5.164 13.978 ( -4.118 0.000 -1.207) 4.291 14.329 ( 2.901 0.000 3.452) 4.509 14.397 ( -2.530 0.000 -2.832) 3.798 14.518 ( 5.702 0.000 3.516) 6.699 14.599 ( -5.673 0.000 -3.885) 6.875 15.504 ( 14.088 0.000 2.302) 14.275 15.556 ( -5.296 0.000 -2.663) 5.928 16.190 ( 4.391 0.000 1.865) 4.771 16.227 ( -12.958 0.000 -1.628) 13.060 16.489 ( -0.957 0.000 2.422) 2.605 16.541 ( 0.116 0.000 -2.460) 2.463 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.610 0.000 6.311) 6.341 0.803 ( -0.098 0.000 -12.044) 12.044 0.811 ( 4.261 0.000 -3.665) 5.620 0.847 ( 6.716 0.000 12.015) 13.764 1.136 ( -0.045 0.000 1.224) 1.225 1.301 ( 7.795 0.000 -5.705) 9.660 1.367 ( -6.093 0.000 -5.422) 8.157 1.409 ( -0.033 0.000 -1.062) 1.063 1.414 ( 0.757 0.000 2.958) 3.053 1.514 ( 0.821 0.000 3.763) 3.851 1.554 ( -4.400 0.000 -6.872) 8.159 1.681 ( 1.005 0.000 -2.446) 2.644 1.686 ( 0.938 0.000 4.583) 4.678 1.709 ( -3.653 0.000 1.111) 3.818 1.738 ( 2.570 0.000 2.219) 3.396 1.780 ( 0.078 0.000 0.992) 0.995 1.966 ( -1.607 0.000 0.886) 1.835 2.174 ( 0.037 0.000 -0.033) 0.050 2.226 ( 10.177 0.000 -1.017) 10.228 2.247 ( 2.181 0.000 2.093) 3.023 2.450 ( -1.453 0.000 -3.629) 3.909 2.484 ( -1.504 0.000 -1.942) 2.456 2.489 ( -0.718 0.000 1.997) 2.122 2.552 ( 1.614 0.000 1.626) 2.291 2.562 ( -7.649 0.000 -0.185) 7.651 2.654 ( 0.176 0.000 0.521) 0.550 2.755 ( -1.564 0.000 -0.453) 1.628 2.856 ( 0.851 0.000 3.027) 3.145 2.944 ( 2.091 0.000 3.688) 4.239 2.962 ( 3.120 0.000 -5.959) 6.727 3.007 ( 0.922 0.000 2.531) 2.694 3.047 ( 1.592 0.000 -0.445) 1.653 3.214 ( -3.070 0.000 2.697) 4.086 3.241 ( -2.710 0.000 -2.297) 3.552 3.335 ( -9.832 0.000 -1.828) 10.001 3.451 ( -0.791 0.000 3.006) 3.109 3.555 ( 5.745 0.000 0.180) 5.748 3.629 ( 5.124 0.000 -1.595) 5.367 3.730 ( -4.875 0.000 -0.610) 4.913 3.754 ( -4.252 0.000 -3.403) 5.446 3.846 ( 0.862 0.000 -1.614) 1.830 3.913 ( 0.606 0.000 -0.098) 0.614 3.947 ( -4.631 0.000 -0.595) 4.669 4.040 ( 0.599 0.000 0.227) 0.641 4.104 ( 1.061 0.000 2.123) 2.373 4.112 ( 0.598 0.000 1.096) 1.249 4.241 ( 1.087 0.000 0.047) 1.088 4.302 ( 3.216 0.000 5.322) 6.218 4.434 ( -2.133 0.000 1.037) 2.372 4.524 ( 2.375 0.000 -2.419) 3.390 4.613 ( -3.214 0.000 2.382) 4.001 4.682 ( -1.187 0.000 -0.046) 1.187 4.869 ( -2.327 0.000 0.213) 2.336 4.982 ( 3.461 0.000 -2.370) 4.195 4.997 ( -4.684 0.000 -2.867) 5.492 5.200 ( -1.944 0.000 -4.729) 5.113 5.369 ( 0.114 0.000 -1.499) 1.504 5.466 ( -1.308 0.000 3.266) 3.518 5.538 ( 0.103 0.000 -2.200) 2.203 5.653 ( 2.977 0.000 8.603) 9.103 7.438 ( 3.235 0.000 1.456) 3.547 7.502 ( 6.489 0.000 -2.470) 6.943 7.746 ( -5.386 0.000 8.208) 9.818 7.971 ( 7.763 0.000 -10.470) 13.034 8.505 ( -9.005 0.000 -3.105) 9.525 8.701 ( -1.497 0.000 7.876) 8.017 9.012 ( -3.545 0.000 2.523) 4.351 9.228 ( 6.281 0.000 -2.046) 6.606 12.273 ( -0.184 0.000 8.787) 8.789 12.322 ( 3.902 0.000 -10.365) 11.075 13.187 ( -5.730 0.000 2.925) 6.433 13.298 ( 1.320 0.000 -2.039) 2.429 13.917 ( -0.793 0.000 -1.483) 1.682 14.052 ( 4.594 0.000 0.945) 4.691 14.355 ( 1.342 0.000 -3.887) 4.112 14.424 ( -5.791 0.000 -0.884) 5.858 14.466 ( 5.198 0.000 0.858) 5.269 14.641 ( 3.844 0.000 2.806) 4.759 15.371 ( -8.295 0.000 -7.865) 11.430 15.621 ( -0.878 0.000 -1.971) 2.158 16.071 ( -3.295 0.000 2.707) 4.264 16.227 ( -4.157 0.000 3.691) 5.559 16.558 ( 3.318 0.000 2.897) 4.405 16.614 ( 8.362 0.000 1.411) 8.480 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 6.198 0.000 -9.603) 11.429 0.854 ( 10.731 0.000 -5.317) 11.976 0.933 ( 3.335 0.000 7.261) 7.990 1.101 ( 7.150 0.000 9.243) 11.686 1.117 ( -0.527 0.000 -1.277) 1.382 1.221 ( -4.190 0.000 -2.020) 4.652 1.317 ( -2.149 0.000 -2.834) 3.556 1.408 ( 1.497 0.000 -1.936) 2.447 1.432 ( -0.535 0.000 -0.000) 0.535 1.478 ( 3.081 0.000 -3.720) 4.830 1.553 ( -1.054 0.000 3.508) 3.663 1.647 ( -4.792 0.000 -1.249) 4.952 1.651 ( -1.482 0.000 -0.692) 1.636 1.709 ( 1.983 0.000 0.624) 2.079 1.782 ( -2.287 0.000 1.030) 2.508 1.803 ( 0.816 0.000 1.917) 2.083 2.010 ( 5.086 0.000 1.199) 5.226 2.181 ( 0.554 0.000 1.052) 1.189 2.276 ( -0.979 0.000 0.168) 0.994 2.381 ( 7.886 0.000 -2.878) 8.395 2.383 ( -4.555 0.000 -0.426) 4.575 2.412 ( -3.847 0.000 -1.550) 4.147 2.468 ( -1.516 0.000 -1.035) 1.836 2.518 ( 3.367 0.000 1.896) 3.864 2.567 ( 0.020 0.000 -2.201) 2.201 2.678 ( -1.035 0.000 1.822) 2.096 2.733 ( -0.788 0.000 -0.440) 0.902 2.939 ( 2.932 0.000 2.218) 3.677 2.962 ( 3.721 0.000 -4.573) 5.896 2.974 ( -5.320 0.000 7.016) 8.805 3.028 ( -1.359 0.000 2.003) 2.421 3.048 ( -0.076 0.000 -1.756) 1.758 3.114 ( -5.070 0.000 -2.990) 5.885 3.161 ( -5.151 0.000 0.241) 5.157 3.241 ( -1.251 0.000 2.554) 2.844 3.486 ( 0.210 0.000 2.700) 2.708 3.599 ( 1.055 0.000 -5.121) 5.229 3.667 ( 2.637 0.000 -2.310) 3.506 3.667 ( -1.662 0.000 -0.014) 1.662 3.717 ( 2.594 0.000 2.762) 3.789 3.842 ( -4.598 0.000 0.828) 4.672 3.847 ( 2.100 0.000 -2.534) 3.291 3.911 ( -1.600 0.000 -0.794) 1.786 4.012 ( -1.209 0.000 -3.326) 3.538 4.140 ( -0.239 0.000 2.494) 2.506 4.159 ( 2.542 0.000 1.735) 3.078 4.280 ( -0.150 0.000 3.847) 3.850 4.354 ( -4.280 0.000 2.609) 5.013 4.462 ( 3.207 0.000 3.339) 4.629 4.484 ( -1.802 0.000 -4.149) 4.524 4.630 ( 1.339 0.000 1.940) 2.357 4.648 ( -3.350 0.000 1.704) 3.759 4.839 ( -1.069 0.000 -0.027) 1.069 4.887 ( 0.273 0.000 -7.532) 7.537 5.018 ( 2.250 0.000 -1.580) 2.750 5.074 ( -5.294 0.000 -1.723) 5.567 5.425 ( 5.844 0.000 -2.525) 6.366 5.469 ( -2.141 0.000 2.995) 3.682 5.534 ( 1.532 0.000 -0.824) 1.739 5.733 ( -3.350 0.000 6.237) 7.080 7.538 ( 5.670 0.000 2.346) 6.136 7.600 ( 6.789 0.000 -1.756) 7.012 7.739 ( -5.280 0.000 7.451) 9.132 7.992 ( 7.190 0.000 -9.908) 12.242 8.350 ( -6.462 0.000 -0.080) 6.463 8.642 ( -9.935 0.000 1.757) 10.089 9.059 ( 1.136 0.000 7.157) 7.246 9.291 ( 4.218 0.000 -3.234) 5.315 12.301 ( 6.100 0.000 -9.204) 11.042 12.338 ( -2.850 0.000 6.543) 7.137 13.121 ( -5.769 0.000 3.848) 6.934 13.280 ( 0.671 0.000 -4.399) 4.449 13.934 ( 3.536 0.000 0.661) 3.597 14.126 ( 2.288 0.000 1.113) 2.544 14.294 ( -5.206 0.000 0.508) 5.230 14.345 ( 1.830 0.000 -3.092) 3.593 14.612 ( 5.923 0.000 0.195) 5.927 14.692 ( 0.993 0.000 -1.712) 1.979 15.169 ( -2.597 0.000 -7.145) 7.603 15.519 ( -7.748 0.000 0.371) 7.757 16.104 ( 4.002 0.000 -1.157) 4.166 16.173 ( -5.294 0.000 3.136) 6.153 16.650 ( 3.047 0.000 3.878) 4.932 16.774 ( 4.083 0.000 4.966) 6.429 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 13.612 0.000 -2.713) 13.880 0.953 ( -6.337 0.000 1.784) 6.584 1.013 ( 11.264 0.000 -3.100) 11.683 1.121 ( -8.192 0.000 0.531) 8.210 1.180 ( 6.204 0.000 1.935) 6.499 1.208 ( -0.319 0.000 3.047) 3.064 1.335 ( 2.921 0.000 1.399) 3.239 1.400 ( -2.718 0.000 -0.512) 2.766 1.403 ( -0.520 0.000 0.298) 0.599 1.516 ( -2.816 0.000 -5.017) 5.753 1.518 ( 2.824 0.000 1.948) 3.431 1.568 ( -4.641 0.000 4.341) 6.355 1.649 ( 2.412 0.000 -1.524) 2.853 1.722 ( -3.944 0.000 -1.402) 4.186 1.762 ( 2.577 0.000 1.331) 2.900 1.813 ( -1.150 0.000 0.858) 1.435 2.164 ( 11.213 0.000 0.349) 11.218 2.209 ( -0.349 0.000 2.732) 2.755 2.258 ( 0.526 0.000 0.774) 0.936 2.308 ( -6.100 0.000 4.726) 7.717 2.353 ( -0.823 0.000 -3.208) 3.312 2.396 ( -3.318 0.000 -3.968) 5.173 2.417 ( 1.962 0.000 -5.964) 6.278 2.489 ( -6.095 0.000 -4.846) 7.787 2.624 ( 4.270 0.000 1.563) 4.547 2.649 ( 0.196 0.000 -0.768) 0.792 2.726 ( 0.137 0.000 1.523) 1.529 2.888 ( -5.123 0.000 -1.740) 5.411 2.917 ( -4.082 0.000 3.531) 5.397 3.002 ( 5.303 0.000 -1.805) 5.602 3.020 ( 0.541 0.000 -3.303) 3.347 3.040 ( 0.536 0.000 -0.659) 0.850 3.077 ( -4.916 0.000 0.907) 4.999 3.096 ( -3.510 0.000 1.568) 3.845 3.320 ( 4.789 0.000 7.165) 8.618 3.519 ( 0.722 0.000 3.396) 3.472 3.555 ( 1.574 0.000 -6.305) 6.498 3.675 ( 1.021 0.000 -2.773) 2.955 3.685 ( -0.402 0.000 3.658) 3.680 3.788 ( 2.108 0.000 1.184) 2.418 3.819 ( -0.829 0.000 2.476) 2.611 3.839 ( -0.183 0.000 -4.026) 4.030 3.882 ( 0.236 0.000 -0.362) 0.432 3.946 ( -1.544 0.000 -2.374) 2.832 4.169 ( 0.910 0.000 2.273) 2.448 4.211 ( 1.732 0.000 0.099) 1.735 4.284 ( -5.487 0.000 2.265) 5.936 4.312 ( -2.574 0.000 7.267) 7.709 4.405 ( -0.456 0.000 -6.084) 6.101 4.497 ( -0.401 0.000 -2.267) 2.302 4.651 ( -0.152 0.000 4.441) 4.443 4.665 ( 0.238 0.000 1.460) 1.479 4.832 ( 0.657 0.000 -1.147) 1.322 4.845 ( 3.202 0.000 -6.439) 7.191 5.001 ( -2.797 0.000 0.817) 2.914 5.027 ( 1.025 0.000 -1.866) 2.129 5.459 ( -2.624 0.000 2.752) 3.802 5.485 ( 3.839 0.000 -2.319) 4.485 5.585 ( 4.485 0.000 0.819) 4.559 5.689 ( -6.429 0.000 2.356) 6.847 7.652 ( 1.838 0.000 2.796) 3.346 7.683 ( 4.666 0.000 -1.751) 4.983 7.738 ( -2.486 0.000 7.406) 7.813 7.987 ( 4.299 0.000 -10.106) 10.983 8.300 ( -0.381 0.000 2.858) 2.883 8.468 ( -8.639 0.000 -1.606) 8.787 9.148 ( -0.495 0.000 7.250) 7.267 9.303 ( 1.875 0.000 -4.123) 4.529 12.307 ( -6.448 0.000 3.464) 7.320 12.332 ( 7.853 0.000 -7.561) 10.901 13.084 ( -4.129 0.000 5.451) 6.839 13.230 ( 0.267 0.000 -5.575) 5.581 14.036 ( 4.540 0.000 2.678) 5.271 14.139 ( -1.456 0.000 -0.216) 1.472 14.279 ( 0.028 0.000 5.009) 5.010 14.364 ( 2.817 0.000 -0.398) 2.845 14.609 ( -1.500 0.000 -5.227) 5.438 14.637 ( -2.140 0.000 -6.147) 6.509 15.193 ( 7.793 0.000 0.654) 7.821 15.381 ( -8.517 0.000 -0.059) 8.517 16.127 ( -3.717 0.000 2.847) 4.682 16.156 ( 4.716 0.000 -3.280) 5.745 16.749 ( 3.242 0.000 4.446) 5.502 16.835 ( -1.895 0.000 2.973) 3.526 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -13.120 0.000 1.056) 13.163 0.929 ( -11.588 0.000 1.991) 11.758 1.034 ( 7.910 0.000 -3.355) 8.592 1.160 ( 8.552 0.000 -2.905) 9.032 1.234 ( -1.998 0.000 -2.080) 2.884 1.243 ( -1.089 0.000 -0.283) 1.125 1.332 ( -6.363 0.000 1.594) 6.560 1.344 ( 1.798 0.000 4.296) 4.657 1.424 ( -2.489 0.000 -2.642) 3.630 1.431 ( 1.017 0.000 2.558) 2.753 1.569 ( 2.370 0.000 0.580) 2.440 1.607 ( -8.138 0.000 -0.688) 8.167 1.618 ( 5.091 0.000 0.678) 5.136 1.684 ( 2.025 0.000 1.407) 2.465 1.794 ( -0.835 0.000 -0.874) 1.209 1.815 ( 2.028 0.000 0.428) 2.073 2.149 ( -8.867 0.000 0.410) 8.876 2.256 ( -4.035 0.000 2.510) 4.752 2.293 ( -1.892 0.000 -1.810) 2.618 2.296 ( 0.203 0.000 4.432) 4.437 2.331 ( 3.122 0.000 -0.026) 3.122 2.357 ( -0.454 0.000 -3.462) 3.492 2.415 ( 11.509 0.000 1.288) 11.581 2.421 ( 5.106 0.000 -6.085) 7.944 2.650 ( -0.786 0.000 -1.297) 1.516 2.651 ( 0.906 0.000 -1.199) 1.503 2.778 ( -3.402 0.000 -2.926) 4.487 2.801 ( 2.861 0.000 4.810) 5.597 2.904 ( -4.742 0.000 5.216) 7.050 3.009 ( 2.801 0.000 -3.310) 4.336 3.016 ( -1.739 0.000 -1.029) 2.020 3.027 ( -1.516 0.000 1.296) 1.994 3.080 ( 2.753 0.000 0.435) 2.788 3.103 ( 6.911 0.000 -0.395) 6.922 3.440 ( 0.699 0.000 5.069) 5.117 3.483 ( -3.040 0.000 -8.034) 8.590 3.590 ( 0.060 0.000 5.528) 5.529 3.620 ( -1.264 0.000 -5.479) 5.623 3.733 ( 1.391 0.000 4.551) 4.759 3.759 ( -0.617 0.000 -3.660) 3.711 3.810 ( -1.346 0.000 0.137) 1.353 3.843 ( 1.992 0.000 0.195) 2.001 3.901 ( -1.559 0.000 -2.146) 2.653 3.920 ( 1.895 0.000 0.505) 1.961 4.185 ( -2.880 0.000 1.679) 3.334 4.213 ( -0.210 0.000 -1.768) 1.780 4.275 ( 0.671 0.000 5.546) 5.587 4.357 ( 2.551 0.000 -4.446) 5.126 4.368 ( -1.369 0.000 9.057) 9.160 4.450 ( -0.363 0.000 -3.913) 3.930 4.677 ( -0.533 0.000 1.603) 1.689 4.688 ( 0.730 0.000 0.539) 0.907 4.818 ( 0.023 0.000 -3.222) 3.222 4.840 ( 2.285 0.000 -3.607) 4.270 4.983 ( -1.620 0.000 2.267) 2.786 5.024 ( 1.109 0.000 -1.356) 1.752 5.433 ( -3.826 0.000 2.461) 4.549 5.514 ( 2.629 0.000 -2.268) 3.472 5.591 ( -5.928 0.000 0.513) 5.950 5.694 ( 6.044 0.000 1.749) 6.292 7.635 ( -5.328 0.000 3.264) 6.248 7.703 ( -0.969 0.000 -2.069) 2.285 7.811 ( -0.439 0.000 6.112) 6.128 7.930 ( 3.794 0.000 -10.809) 11.456 8.351 ( -2.104 0.000 -1.957) 2.874 8.409 ( 8.002 0.000 4.408) 9.136 9.196 ( -2.366 0.000 6.265) 6.697 9.269 ( -0.241 0.000 -4.524) 4.531 12.219 ( -7.245 0.000 3.371) 7.991 12.399 ( 8.151 0.000 -5.949) 10.091 13.100 ( -1.972 0.000 7.004) 7.276 13.187 ( 1.574 0.000 -4.660) 4.919 14.081 ( -3.870 0.000 -1.577) 4.179 14.109 ( 0.629 0.000 2.685) 2.758 14.343 ( -0.718 0.000 1.955) 2.082 14.405 ( 2.131 0.000 -4.120) 4.639 14.526 ( -2.893 0.000 -0.956) 3.046 14.562 ( 1.873 0.000 0.766) 2.023 15.219 ( -9.121 0.000 -1.446) 9.235 15.362 ( 8.814 0.000 1.548) 8.948 16.104 ( -2.081 0.000 1.968) 2.864 16.199 ( 5.056 0.000 -4.159) 6.547 16.792 ( -4.348 0.000 0.101) 4.349 16.850 ( 3.427 0.000 2.613) 4.310 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -13.919 0.000 3.635) 14.386 0.721 ( -15.534 0.000 5.790) 16.578 1.088 ( 3.669 0.000 -6.529) 7.489 1.142 ( -1.652 0.000 -3.372) 3.755 1.164 ( -13.587 0.000 7.994) 15.764 1.213 ( -1.364 0.000 0.862) 1.613 1.249 ( -0.240 0.000 -3.263) 3.272 1.377 ( -1.658 0.000 1.236) 2.069 1.415 ( 0.785 0.000 1.174) 1.412 1.440 ( -5.513 0.000 -1.923) 5.839 1.532 ( 5.062 0.000 4.335) 6.665 1.650 ( 4.704 0.000 -0.584) 4.741 1.666 ( 2.361 0.000 -1.696) 2.907 1.763 ( 2.898 0.000 2.790) 4.023 1.764 ( -0.213 0.000 -3.100) 3.108 1.829 ( -0.386 0.000 -0.702) 0.801 2.036 ( -2.923 0.000 -1.667) 3.365 2.215 ( -1.572 0.000 -0.796) 1.762 2.271 ( 1.328 0.000 -0.221) 1.347 2.304 ( -3.583 0.000 3.744) 5.182 2.359 ( 0.145 0.000 0.847) 0.859 2.445 ( 5.252 0.000 1.168) 5.380 2.456 ( 4.932 0.000 -4.180) 6.465 2.516 ( 0.503 0.000 1.624) 1.700 2.580 ( -2.647 0.000 -3.546) 4.425 2.701 ( 3.408 0.000 -0.829) 3.508 2.726 ( -1.069 0.000 -0.264) 1.101 2.859 ( -5.545 0.000 5.012) 7.474 2.890 ( 0.638 0.000 5.294) 5.332 3.022 ( 1.619 0.000 0.330) 1.652 3.041 ( 4.653 0.000 -1.263) 4.821 3.095 ( 7.978 0.000 -0.261) 7.982 3.155 ( 3.988 0.000 1.380) 4.221 3.191 ( 3.467 0.000 -5.363) 6.386 3.276 ( -7.290 0.000 -5.165) 8.934 3.497 ( 0.782 0.000 4.401) 4.470 3.562 ( 0.860 0.000 -5.400) 5.468 3.618 ( -1.582 0.000 3.144) 3.520 3.712 ( -0.820 0.000 -3.215) 3.318 3.763 ( -2.905 0.000 -0.430) 2.937 3.795 ( -0.520 0.000 1.179) 1.289 3.853 ( 1.303 0.000 -0.529) 1.407 3.900 ( 1.886 0.000 0.207) 1.897 3.949 ( 0.969 0.000 1.827) 2.068 4.134 ( -5.314 0.000 2.670) 5.947 4.190 ( 0.593 0.000 -2.132) 2.213 4.361 ( 1.279 0.000 2.421) 2.738 4.386 ( 3.603 0.000 -1.401) 3.866 4.408 ( 0.039 0.000 -1.190) 1.191 4.462 ( 1.193 0.000 5.994) 6.111 4.683 ( -0.370 0.000 0.617) 0.719 4.690 ( 1.659 0.000 -3.425) 3.806 4.776 ( -0.278 0.000 -0.694) 0.748 4.846 ( 1.564 0.000 -1.094) 1.908 4.979 ( -1.986 0.000 2.251) 3.002 5.048 ( 2.455 0.000 0.453) 2.496 5.379 ( -4.851 0.000 1.907) 5.212 5.516 ( -3.448 0.000 0.991) 3.588 5.530 ( 2.406 0.000 -2.680) 3.602 5.811 ( 5.657 0.000 -0.454) 5.675 7.568 ( -5.809 0.000 1.967) 6.133 7.604 ( -5.273 0.000 -3.616) 6.394 7.820 ( -5.846 0.000 5.484) 8.015 7.915 ( 6.657 0.000 -9.499) 11.599 8.351 ( 2.984 0.000 -0.136) 2.988 8.637 ( 12.528 0.000 2.581) 12.791 9.197 ( -2.077 0.000 -5.376) 5.763 9.203 ( -4.177 0.000 5.246) 6.706 12.150 ( -5.852 0.000 5.229) 7.848 12.467 ( 6.509 0.000 -5.970) 8.832 13.155 ( -1.117 0.000 7.365) 7.449 13.188 ( 3.266 0.000 -2.907) 4.372 13.972 ( -5.328 0.000 -3.071) 6.150 14.121 ( -2.385 0.000 2.067) 3.156 14.299 ( -3.221 0.000 0.264) 3.231 14.346 ( 1.380 0.000 -5.089) 5.273 14.555 ( -0.994 0.000 5.609) 5.697 14.652 ( 3.468 0.000 2.569) 4.316 15.069 ( -5.800 0.000 1.843) 6.086 15.510 ( 6.604 0.000 0.794) 6.652 16.095 ( -0.327 0.000 0.254) 0.414 16.246 ( 5.692 0.000 -3.989) 6.951 16.704 ( -4.659 0.000 -1.328) 4.845 16.885 ( -0.254 0.000 -4.257) 4.265 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -2.071 0.000 14.583) 14.730 0.571 ( -10.828 0.000 11.287) 15.642 1.013 ( -14.085 0.000 11.077) 17.919 1.019 ( 1.262 0.000 -9.855) 9.935 1.114 ( -7.752 0.000 -2.805) 8.244 1.152 ( 3.581 0.000 -1.378) 3.837 1.263 ( 3.694 0.000 4.095) 5.516 1.371 ( -1.442 0.000 2.586) 2.961 1.426 ( -0.386 0.000 0.615) 0.726 1.458 ( 4.503 0.000 1.711) 4.818 1.599 ( 1.102 0.000 -2.852) 3.057 1.695 ( 1.363 0.000 -2.601) 2.937 1.706 ( 2.554 0.000 0.737) 2.658 1.739 ( 2.382 0.000 -2.032) 3.130 1.786 ( -2.768 0.000 -1.688) 3.242 1.805 ( -0.659 0.000 0.217) 0.694 2.000 ( 1.329 0.000 -2.030) 2.427 2.188 ( -0.083 0.000 -1.367) 1.370 2.218 ( -8.460 0.000 -0.002) 8.460 2.278 ( -2.279 0.000 -0.712) 2.388 2.380 ( 1.639 0.000 2.685) 3.145 2.482 ( 1.461 0.000 -1.296) 1.953 2.508 ( 3.012 0.000 -0.605) 3.073 2.552 ( -0.093 0.000 1.041) 1.046 2.577 ( 6.535 0.000 -1.319) 6.667 2.704 ( -0.182 0.000 -2.333) 2.340 2.724 ( -0.496 0.000 1.897) 1.961 2.837 ( -3.871 0.000 5.922) 7.075 2.925 ( 0.131 0.000 1.158) 1.166 2.991 ( -7.349 0.000 -6.578) 9.863 3.038 ( -0.733 0.000 0.127) 0.744 3.081 ( 0.838 0.000 -3.470) 3.570 3.212 ( 0.871 0.000 0.596) 1.055 3.259 ( 6.361 0.000 -1.014) 6.442 3.315 ( 8.854 0.000 0.462) 8.866 3.520 ( 0.489 0.000 -4.149) 4.178 3.538 ( -2.512 0.000 1.667) 3.015 3.597 ( -3.896 0.000 1.242) 4.090 3.706 ( 3.021 0.000 0.299) 3.036 3.729 ( 2.530 0.000 0.913) 2.690 3.808 ( 0.883 0.000 1.105) 1.415 3.908 ( 3.238 0.000 1.715) 3.664 3.917 ( -0.940 0.000 0.225) 0.966 3.983 ( -0.524 0.000 3.175) 3.218 4.081 ( -3.595 0.000 3.609) 5.094 4.176 ( 0.254 0.000 -3.090) 3.101 4.308 ( -2.372 0.000 -4.549) 5.130 4.406 ( -2.328 0.000 -3.339) 4.070 4.453 ( -0.477 0.000 4.046) 4.074 4.457 ( 0.327 0.000 -2.090) 2.116 4.678 ( -1.096 0.000 0.728) 1.315 4.686 ( 3.025 0.000 -4.464) 5.392 4.876 ( 2.694 0.000 -0.173) 2.700 4.889 ( 7.744 0.000 4.974) 9.204 4.967 ( -0.391 0.000 1.781) 1.823 5.111 ( 1.292 0.000 3.253) 3.501 5.336 ( -0.901 0.000 1.569) 1.810 5.489 ( -1.932 0.000 2.418) 3.095 5.536 ( 1.889 0.000 -3.259) 3.767 5.819 ( -2.071 0.000 -7.102) 7.398 7.468 ( -6.792 0.000 0.567) 6.816 7.492 ( -2.544 0.000 -3.432) 4.272 7.763 ( -8.213 0.000 8.983) 12.172 7.933 ( 7.162 0.000 -9.572) 11.955 8.439 ( 4.958 0.000 3.156) 5.878 8.824 ( 6.290 0.000 -3.710) 7.302 9.088 ( -1.728 0.000 -4.777) 5.080 9.165 ( -5.844 0.000 3.892) 7.021 12.137 ( -3.506 0.000 7.280) 8.081 12.465 ( 2.643 0.000 -9.462) 9.825 13.214 ( -0.783 0.000 6.159) 6.209 13.229 ( 3.814 0.000 -1.362) 4.050 13.893 ( -0.696 0.000 0.755) 1.027 14.067 ( -4.679 0.000 -0.156) 4.681 14.279 ( -0.964 0.000 2.907) 3.063 14.388 ( 5.220 0.000 0.986) 5.313 14.510 ( -5.959 0.000 -1.594) 6.168 14.687 ( -0.839 0.000 -1.200) 1.464 15.180 ( 10.373 0.000 10.735) 14.928 15.595 ( 1.843 0.000 0.434) 1.893 16.110 ( 3.164 0.000 -0.989) 3.315 16.305 ( 5.278 0.000 -3.726) 6.460 16.610 ( -4.006 0.000 -1.963) 4.461 16.695 ( -13.598 0.000 -7.281) 15.425 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.280 3.156 12.269) 12.671 0.753 ( -1.629 7.630 11.913) 14.240 0.880 ( 0.155 0.438 -9.977) 9.988 0.982 ( 1.449 4.475 -10.040) 11.087 1.165 ( -2.515 6.696 8.298) 10.955 1.242 ( 2.986 1.882 -0.902) 3.644 1.396 ( 2.849 1.654 4.564) 5.629 1.407 ( 2.740 0.977 3.773) 4.764 1.446 ( -0.940 1.883 0.005) 2.104 1.509 ( -1.917 -1.893 -3.582) 4.482 1.582 ( 2.489 1.178 3.430) 4.399 1.670 ( -2.088 -0.375 -1.850) 2.815 1.709 ( -2.843 -0.099 -1.327) 3.139 1.746 ( 1.270 0.117 -3.189) 3.434 1.750 ( -1.151 -0.188 1.281) 1.733 1.778 ( 0.473 1.867 -1.639) 2.529 2.056 ( 1.016 0.723 -0.393) 1.308 2.069 ( -1.734 1.223 -1.801) 2.783 2.228 ( -0.551 1.581 1.237) 2.082 2.256 ( 0.232 4.192 -1.261) 4.383 2.406 ( 0.717 -3.400 2.377) 4.210 2.468 ( 1.563 -2.003 -2.423) 3.511 2.497 ( -0.998 -2.618 0.454) 2.838 2.513 ( -0.873 -2.407 -1.562) 3.000 2.635 ( 0.041 -0.801 0.471) 0.930 2.680 ( -0.142 0.389 -3.200) 3.227 2.773 ( 2.223 -1.354 4.626) 5.308 2.823 ( -4.522 0.140 -0.402) 4.542 2.831 ( 3.130 -1.513 0.278) 3.488 2.913 ( -2.364 -1.827 -4.691) 5.562 3.030 ( 2.432 0.517 3.035) 3.923 3.085 ( -1.042 1.601 -2.514) 3.157 3.240 ( -0.334 2.594 3.146) 4.091 3.303 ( -0.192 0.820 -1.701) 1.899 3.438 ( -0.250 -0.747 -0.248) 0.826 3.452 ( -0.390 -0.975 -2.297) 2.526 3.499 ( -1.323 -0.517 3.506) 3.783 3.567 ( 1.168 0.661 -2.768) 3.077 3.748 ( 1.964 -3.478 2.121) 4.522 3.785 ( 0.512 -3.203 -1.277) 3.486 3.859 ( 2.804 0.861 3.046) 4.229 3.884 ( -3.209 0.997 1.031) 3.515 3.924 ( -3.709 -3.082 0.790) 4.886 3.959 ( 4.259 -1.639 -1.206) 4.720 4.102 ( -0.260 1.517 3.244) 3.590 4.192 ( -2.046 1.921 -4.951) 5.691 4.241 ( 1.984 2.326 2.904) 4.217 4.320 ( -3.008 2.446 -4.034) 5.595 4.414 ( 0.371 -3.013 1.825) 3.542 4.454 ( 0.133 -2.801 -1.872) 3.372 4.672 ( -0.442 1.004 1.495) 1.854 4.697 ( -0.983 -0.012 -1.044) 1.434 4.889 ( 0.026 -4.974 2.893) 5.754 4.914 ( -1.605 -2.034 0.261) 2.605 4.994 ( 4.364 -2.826 1.586) 5.436 5.036 ( 1.129 -4.771 -2.052) 5.315 5.444 ( 3.005 2.992 1.219) 4.412 5.460 ( -2.637 1.116 -0.071) 2.864 5.653 ( 1.236 6.052 3.733) 7.217 5.768 ( -4.027 8.067 -6.811) 11.300 7.424 ( -1.474 1.926 1.352) 2.777 7.466 ( 1.898 1.049 -2.521) 3.325 7.773 ( -5.698 2.503 9.269) 11.165 7.980 ( 6.626 1.639 -10.556) 12.570 8.645 ( 6.264 6.061 3.900) 9.549 8.755 ( -9.115 3.881 -6.215) 11.695 9.081 ( -6.894 -0.763 2.072) 7.239 9.118 ( 7.091 -0.949 -1.334) 7.278 12.195 ( -1.177 0.967 8.037) 8.180 12.379 ( 1.997 -0.769 -9.495) 9.733 13.199 ( -3.063 -3.054 4.049) 5.925 13.257 ( 2.616 -2.067 -1.670) 3.729 13.967 ( 3.959 1.348 1.598) 4.477 13.999 ( -3.484 1.946 -1.548) 4.281 14.312 ( 2.689 -1.532 3.256) 4.493 14.384 ( -2.436 -1.422 -3.470) 4.471 14.550 ( 5.465 3.044 3.355) 7.099 14.620 ( -5.138 1.966 -3.189) 6.359 15.412 ( 9.017 -6.642 7.002) 13.208 15.523 ( -4.441 -3.683 -3.936) 6.984 16.148 ( -3.254 -1.031 5.677) 6.624 16.282 ( -0.574 1.827 -7.287) 7.535 16.497 ( -0.268 0.578 2.274) 2.361 16.544 ( -1.116 0.173 -2.162) 2.439 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 4.214 1.507 -1.571) 4.743 0.824 ( 3.050 1.618 7.363) 8.132 0.839 ( 1.775 3.387 0.164) 3.828 0.870 ( -0.936 5.150 -6.010) 7.970 1.184 ( -0.497 3.213 0.354) 3.270 1.329 ( 4.828 1.103 -1.033) 5.059 1.357 ( -4.683 -0.210 -3.979) 6.149 1.414 ( -0.812 1.986 -1.617) 2.687 1.461 ( 0.537 2.328 0.573) 2.457 1.494 ( -1.064 -0.425 0.457) 1.233 1.581 ( -1.008 1.234 -2.244) 2.752 1.672 ( -1.032 -0.689 3.307) 3.532 1.697 ( 0.500 0.324 0.707) 0.924 1.733 ( 0.358 1.872 1.013) 2.159 1.760 ( 1.058 0.939 1.001) 1.733 1.767 ( -0.056 0.691 -0.739) 1.013 1.990 ( -1.292 2.320 0.768) 2.764 2.159 ( 2.623 -1.258 1.068) 3.099 2.221 ( 2.843 1.576 -0.171) 3.256 2.309 ( 3.919 3.404 0.729) 5.241 2.380 ( -3.918 -5.685 -2.360) 7.297 2.441 ( -0.275 -1.752 -0.029) 1.774 2.505 ( -0.185 -2.143 0.372) 2.182 2.517 ( 1.150 -2.441 0.810) 2.817 2.579 ( -4.941 1.729 -1.117) 5.352 2.689 ( 1.685 2.928 1.396) 3.655 2.747 ( -1.982 -0.568 -0.669) 2.168 2.822 ( -0.978 -4.051 -2.826) 5.035 2.876 ( 2.154 -0.232 4.615) 5.098 2.925 ( 4.315 -3.651 1.212) 5.781 3.036 ( -0.947 -1.426 -2.282) 2.853 3.089 ( 1.375 2.657 0.458) 3.026 3.234 ( -3.903 1.963 -1.105) 4.506 3.276 ( -1.039 3.303 2.142) 4.072 3.344 ( -6.710 1.342 -1.982) 7.124 3.455 ( -0.090 0.338 3.556) 3.573 3.540 ( 3.058 -1.941 0.449) 3.650 3.603 ( 3.058 -2.075 -2.008) 4.206 3.713 ( -3.103 0.106 -2.870) 4.228 3.759 ( -2.458 -6.011 -0.019) 6.494 3.806 ( -3.695 1.549 -0.250) 4.014 3.887 ( -0.604 -1.631 0.415) 1.788 3.946 ( 2.028 1.645 1.128) 2.845 4.031 ( 4.446 -1.974 -2.508) 5.473 4.113 ( -0.867 1.018 0.413) 1.400 4.193 ( 1.773 4.240 4.164) 6.201 4.228 ( -1.720 0.351 -3.320) 3.756 4.320 ( 1.930 0.756 4.782) 5.212 4.396 ( -1.550 -2.350 -0.624) 2.884 4.488 ( 3.364 -3.075 -0.326) 4.569 4.628 ( -4.946 0.141 0.834) 5.017 4.690 ( -0.761 1.429 0.949) 1.877 4.863 ( -4.594 -4.710 0.476) 6.596 4.898 ( -0.054 -2.666 -0.829) 2.792 4.991 ( 2.469 0.625 -2.924) 3.878 5.123 ( 3.921 -5.203 -2.774) 7.081 5.390 ( -2.381 2.177 -1.011) 3.380 5.488 ( 0.493 2.097 0.912) 2.340 5.620 ( -3.692 6.174 -1.028) 7.267 5.749 ( 0.034 5.362 4.775) 7.180 7.443 ( 2.706 0.599 0.768) 2.876 7.527 ( 6.327 1.983 -1.163) 6.732 7.771 ( -5.376 2.332 7.753) 9.718 7.988 ( 7.017 1.218 -9.545) 11.909 8.538 ( -9.512 3.153 -2.760) 10.394 8.755 ( -2.491 4.722 6.154) 8.148 9.003 ( -2.486 -0.730 2.654) 3.709 9.222 ( 6.290 -0.626 -1.901) 6.601 12.275 ( -0.156 0.240 7.959) 7.964 12.324 ( 3.827 0.185 -9.446) 10.193 13.163 ( -5.297 -2.125 3.432) 6.659 13.269 ( 1.400 -2.687 -2.611) 3.999 13.939 ( -0.811 2.099 -1.511) 2.710 14.060 ( 4.235 0.793 1.344) 4.513 14.328 ( -0.128 -1.910 -3.825) 4.277 14.419 ( 3.631 -2.150 2.804) 5.066 14.483 ( -3.719 2.915 -2.142) 5.188 14.677 ( 4.786 3.073 2.026) 6.038 15.344 ( -7.656 -2.840 -7.722) 11.238 15.543 ( 0.095 -5.615 2.128) 6.005 16.088 ( -3.689 1.541 2.226) 4.576 16.258 ( -2.449 1.812 0.986) 3.202 16.541 ( 3.411 -1.409 1.445) 3.964 16.599 ( 5.919 -1.267 1.756) 6.303 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 4.563 4.426 -8.119) 10.311 0.855 ( 10.059 0.805 -6.613) 12.066 0.964 ( 2.681 2.901 7.282) 8.285 1.008 ( 5.270 -3.736 5.632) 8.570 1.164 ( -1.289 0.213 0.395) 1.365 1.234 ( -4.159 1.934 -0.392) 4.603 1.353 ( -4.460 -0.757 -0.487) 4.550 1.402 ( 2.351 2.682 -2.626) 4.429 1.449 ( -1.127 0.259 0.122) 1.163 1.453 ( 0.327 -0.110 -1.988) 2.018 1.586 ( -0.668 0.998 0.397) 1.265 1.652 ( -1.720 0.590 1.540) 2.383 1.696 ( -3.416 3.480 -1.548) 5.117 1.724 ( 2.849 1.905 -1.229) 3.641 1.766 ( -1.191 -1.571 0.667) 2.081 1.804 ( 0.665 0.250 1.396) 1.567 2.033 ( 4.616 2.096 1.734) 5.358 2.187 ( 0.530 -0.481 1.833) 1.968 2.247 ( -2.687 -1.517 -0.332) 3.103 2.308 ( 0.752 -4.203 -2.020) 4.723 2.376 ( -0.222 -1.144 -1.865) 2.199 2.398 ( -1.534 -0.378 -1.049) 1.896 2.500 ( 0.215 -0.424 -0.050) 0.478 2.537 ( -0.553 -2.283 -0.002) 2.349 2.556 ( 2.945 3.133 2.053) 4.764 2.711 ( -0.566 -0.720 -0.858) 1.255 2.716 ( -0.798 2.098 -0.426) 2.285 2.821 ( 1.202 -5.025 0.552) 5.196 2.954 ( -0.692 -0.300 3.052) 3.144 2.973 ( -1.779 -2.920 -0.395) 3.442 3.009 ( 1.799 -2.220 -0.283) 2.872 3.110 ( -1.606 1.689 0.272) 2.346 3.127 ( -1.268 3.426 -1.213) 3.849 3.215 ( -5.239 4.888 -1.291) 7.281 3.271 ( -1.917 2.520 1.625) 3.559 3.509 ( 0.840 2.127 2.738) 3.567 3.558 ( -0.784 -6.667 2.352) 7.113 3.615 ( 1.122 0.634 -3.459) 3.691 3.665 ( 1.581 0.109 -2.616) 3.058 3.724 ( -1.363 -4.211 1.487) 4.669 3.795 ( 1.054 2.097 2.352) 3.322 3.891 ( 1.235 1.286 -1.196) 2.147 3.951 ( -1.174 2.445 -0.576) 2.773 4.032 ( -0.047 1.131 -3.605) 3.779 4.120 ( -0.498 -0.067 1.741) 1.812 4.178 ( 1.081 -1.509 -1.957) 2.698 4.267 ( -1.591 1.047 4.407) 4.800 4.362 ( -0.666 -0.226 -0.907) 1.148 4.428 ( 3.449 -3.183 5.557) 7.274 4.515 ( -2.244 1.805 -1.134) 3.095 4.559 ( -1.468 -3.536 1.103) 3.985 4.682 ( -1.228 1.592 1.022) 2.256 4.802 ( -1.311 -4.184 -0.854) 4.467 4.882 ( 0.781 0.557 -3.300) 3.436 5.011 ( 2.186 0.112 -1.991) 2.959 5.069 ( -3.720 -0.304 -3.156) 4.888 5.410 ( 5.015 -0.961 -1.491) 5.319 5.495 ( -1.199 2.126 1.576) 2.905 5.579 ( -0.447 3.611 -0.283) 3.649 5.761 ( -4.597 1.473 4.266) 6.442 7.533 ( 6.112 -0.372 1.429) 6.288 7.628 ( 5.043 2.387 0.336) 5.589 7.752 ( -4.628 1.090 4.807) 6.762 8.008 ( 6.029 1.100 -8.613) 10.571 8.384 ( -6.154 3.300 0.225) 6.987 8.664 ( -10.949 1.692 2.528) 11.363 9.071 ( 1.774 1.279 6.626) 6.977 9.286 ( 4.028 -0.540 -2.944) 5.019 12.307 ( 5.298 0.518 -7.835) 9.472 12.337 ( -1.861 -0.022 5.121) 5.448 13.105 ( -5.638 -1.485 3.756) 6.935 13.250 ( 0.751 -2.803 -4.396) 5.267 13.950 ( 2.907 1.571 0.540) 3.349 14.136 ( 2.664 0.690 1.520) 3.144 14.269 ( -3.056 -1.153 -1.407) 3.556 14.392 ( 0.037 2.971 -1.553) 3.353 14.544 ( 2.284 -3.608 0.668) 4.322 14.767 ( 4.940 4.653 -0.660) 6.818 15.155 ( -3.336 -1.257 -6.184) 7.138 15.499 ( -5.320 -1.536 0.270) 5.544 16.094 ( 2.082 -0.224 -0.228) 2.106 16.206 ( -4.400 2.107 1.725) 5.175 16.623 ( 2.804 -2.493 3.151) 4.900 16.725 ( 3.730 -4.254 3.545) 6.677 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 11.298 2.705 -1.249) 11.684 0.983 ( 8.191 -1.732 -3.336) 9.013 0.996 ( -2.230 3.572 0.567) 4.249 1.128 ( -8.821 -0.079 0.534) 8.838 1.147 ( 6.009 -1.829 2.930) 6.931 1.207 ( 1.273 -0.355 3.470) 3.713 1.328 ( 1.438 -2.808 3.009) 4.360 1.366 ( -3.560 -0.613 -1.123) 3.783 1.399 ( -2.337 -0.655 -1.575) 2.893 1.484 ( 1.329 -1.095 1.364) 2.197 1.535 ( -2.324 1.562 -3.276) 4.310 1.627 ( -2.462 3.769 1.135) 4.643 1.655 ( 0.532 0.127 -1.114) 1.241 1.712 ( -3.181 -0.730 -2.264) 3.972 1.775 ( 2.786 1.282 0.531) 3.112 1.814 ( -0.897 -0.153 0.794) 1.208 2.172 ( 6.438 -0.605 2.594) 6.968 2.204 ( -0.918 -1.509 1.958) 2.637 2.225 ( 0.502 -1.520 2.129) 2.664 2.301 ( -3.183 0.087 2.612) 4.119 2.316 ( 2.090 -0.417 -4.142) 4.658 2.382 ( 1.706 -2.581 -4.847) 5.750 2.461 ( -3.489 2.278 -1.992) 4.619 2.534 ( -1.604 1.996 -1.990) 3.243 2.624 ( -0.192 -0.276 1.161) 1.208 2.646 ( -1.112 1.213 -2.384) 2.897 2.705 ( 0.095 -1.823 2.092) 2.777 2.845 ( -1.645 -3.483 2.584) 4.639 2.876 ( -1.964 -1.627 -3.773) 4.554 2.943 ( -0.122 -2.450 -1.489) 2.869 3.034 ( 1.685 1.515 -1.162) 2.546 3.067 ( -2.136 -0.270 -0.423) 2.194 3.125 ( -4.163 2.917 1.568) 5.320 3.141 ( -0.092 4.018 -1.593) 4.324 3.351 ( 5.317 2.638 5.851) 8.335 3.545 ( -0.031 2.095 2.867) 3.551 3.566 ( -0.431 -0.720 -2.498) 2.635 3.595 ( 0.790 -2.335 1.204) 2.743 3.685 ( 1.340 -1.686 0.121) 2.157 3.762 ( 2.348 -1.531 3.243) 4.287 3.836 ( -0.153 1.974 -0.467) 2.034 3.877 ( -0.681 1.577 -3.549) 3.943 3.929 ( 0.073 2.849 0.520) 2.897 3.986 ( -0.733 3.599 -1.866) 4.120 4.126 ( -1.094 -1.798 3.112) 3.757 4.195 ( 2.262 -3.179 -1.708) 4.259 4.247 ( -3.212 -0.918 1.614) 3.710 4.359 ( 0.670 -0.721 -1.854) 2.099 4.424 ( -5.138 4.043 2.904) 7.154 4.519 ( 0.621 0.932 -0.462) 1.211 4.586 ( 2.080 -4.749 3.167) 6.075 4.674 ( -0.784 -0.417 0.422) 0.983 4.797 ( 0.806 -2.685 -0.480) 2.845 4.852 ( 1.479 0.901 -5.310) 5.585 4.991 ( -2.009 0.266 0.049) 2.027 5.022 ( 0.699 -0.095 -1.848) 1.978 5.475 ( -0.152 0.459 1.092) 1.195 5.488 ( 2.199 0.208 -1.015) 2.431 5.601 ( 2.468 1.545 1.249) 3.168 5.697 ( -5.557 0.501 1.264) 5.721 7.666 ( 3.226 -1.209 2.179) 4.076 7.682 ( 1.047 2.707 2.940) 4.131 7.737 ( -0.134 -0.368 1.900) 1.940 7.979 ( 1.602 -0.823 -9.665) 9.832 8.355 ( 1.383 4.863 2.624) 5.696 8.499 ( -8.601 2.477 0.201) 8.953 9.157 ( -0.390 0.942 6.540) 6.619 9.298 ( 1.779 -0.466 -3.804) 4.225 12.309 ( -4.930 0.228 2.733) 5.642 12.340 ( 6.473 0.706 -6.618) 9.284 13.065 ( -4.148 -1.680 5.080) 6.770 13.202 ( 0.438 -2.583 -5.513) 6.104 14.038 ( 4.178 0.402 2.654) 4.966 14.164 ( -1.786 2.116 -0.934) 2.922 14.239 ( 0.596 -2.620 3.473) 4.391 14.396 ( 1.112 0.256 -2.435) 2.689 14.544 ( -0.300 0.237 0.977) 1.049 14.768 ( -1.163 7.860 -6.947) 10.554 15.162 ( 5.411 -2.910 2.980) 6.829 15.388 ( -5.943 0.464 -2.229) 6.365 16.125 ( -0.375 -0.042 1.323) 1.376 16.166 ( 0.874 0.749 -1.694) 2.048 16.706 ( 2.175 -3.930 3.991) 6.009 16.778 ( -0.883 -5.023 1.908) 5.445 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -11.501 4.645 0.745) 12.426 0.919 ( -14.494 -0.913 1.913) 14.648 1.034 ( 7.341 0.742 -2.966) 7.952 1.150 ( 9.830 -0.888 -1.311) 9.956 1.211 ( -3.149 -1.416 -2.000) 3.990 1.241 ( 0.761 -0.337 0.100) 0.838 1.343 ( 1.694 -0.336 3.730) 4.110 1.353 ( -1.728 0.240 0.641) 1.858 1.403 ( -2.277 -1.571 -3.119) 4.169 1.424 ( 2.866 -1.183 1.835) 3.603 1.573 ( 1.149 0.371 0.528) 1.318 1.587 ( -2.237 -0.390 -1.053) 2.503 1.650 ( 1.088 1.795 2.329) 3.135 1.677 ( 1.372 0.687 -0.589) 1.644 1.791 ( -1.980 -0.149 -0.393) 2.024 1.816 ( 1.150 0.003 0.454) 1.236 2.190 ( -6.353 1.791 1.955) 6.884 2.212 ( -2.177 -2.899 0.197) 3.631 2.243 ( -4.140 -1.750 3.575) 5.743 2.279 ( 2.453 -1.243 -1.526) 3.145 2.330 ( 2.330 -0.227 -2.699) 3.573 2.379 ( 4.484 -1.248 -3.159) 5.625 2.438 ( -1.581 3.916 -1.172) 4.383 2.494 ( 6.711 4.086 1.925) 8.089 2.615 ( -1.862 -2.161 0.001) 2.852 2.638 ( 0.588 -2.249 -0.598) 2.400 2.759 ( -1.013 -2.223 0.909) 2.606 2.781 ( 0.397 -0.914 0.928) 1.361 2.889 ( 1.604 0.649 0.747) 1.884 2.949 ( 3.876 -3.780 -3.814) 6.622 3.019 ( -2.490 0.517 0.206) 2.552 3.061 ( 2.478 0.705 -0.099) 2.578 3.086 ( -2.039 3.479 3.061) 5.063 3.161 ( 3.320 2.503 -1.185) 4.323 3.465 ( -1.215 1.390 1.658) 2.481 3.478 ( -1.327 0.215 -2.147) 2.533 3.593 ( -0.951 0.468 1.041) 1.485 3.616 ( 1.323 -0.646 -0.951) 1.753 3.737 ( 0.429 0.904 1.987) 2.225 3.753 ( -0.723 -0.043 -2.135) 2.254 3.811 ( -2.052 0.050 -0.456) 2.103 3.846 ( 1.523 -0.054 0.097) 1.527 3.952 ( -0.410 3.873 -0.544) 3.933 3.971 ( 1.493 3.312 -0.347) 3.650 4.151 ( -1.487 -3.149 2.467) 4.268 4.177 ( -0.862 -1.460 -0.753) 1.855 4.245 ( -1.664 -1.847 2.626) 3.616 4.325 ( 2.780 -1.754 -2.649) 4.222 4.446 ( -0.417 4.535 5.802) 7.376 4.497 ( 0.059 2.417 -2.045) 3.167 4.644 ( -0.474 -4.209 0.171) 4.239 4.661 ( 0.742 -1.779 0.586) 2.015 4.789 ( -0.915 -1.607 -0.993) 2.099 4.840 ( 2.967 0.286 -4.205) 5.154 4.979 ( -1.170 0.359 1.986) 2.333 5.012 ( 0.614 -0.344 -1.466) 1.627 5.441 ( -4.303 0.304 1.870) 4.701 5.524 ( 2.627 0.315 -2.024) 3.331 5.602 ( -4.641 1.057 1.381) 4.957 5.704 ( 6.143 0.664 0.470) 6.196 7.628 ( -6.123 -0.032 3.504) 7.055 7.740 ( 0.793 2.373 -1.385) 2.860 7.796 ( -2.097 -0.974 3.818) 4.464 7.892 ( 4.057 -2.851 -7.786) 9.231 8.392 ( -2.025 3.669 -0.619) 4.236 8.486 ( 9.475 5.847 1.425) 11.225 9.200 ( -2.270 0.428 5.596) 6.054 9.269 ( -0.032 -0.037 -4.102) 4.102 12.231 ( -6.794 1.139 3.246) 7.615 12.398 ( 7.297 -0.173 -5.612) 9.207 13.075 ( -2.152 -2.173 6.472) 7.158 13.165 ( 2.077 -2.052 -4.516) 5.377 14.087 ( -4.341 0.602 -1.830) 4.750 14.120 ( 1.406 0.987 3.031) 3.484 14.313 ( -0.223 -2.133 0.880) 2.318 14.349 ( 1.709 -3.768 -2.953) 5.083 14.603 ( -1.584 6.700 2.893) 7.468 14.646 ( -0.099 6.547 -2.802) 7.122 15.207 ( -8.371 -1.209 0.264) 8.462 15.353 ( 8.010 -1.130 -0.165) 8.091 16.105 ( -2.515 0.240 1.645) 3.015 16.203 ( 5.552 0.381 -3.614) 6.636 16.740 ( -3.620 -4.805 0.801) 6.069 16.785 ( 1.773 -5.482 1.766) 6.026 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -11.790 6.174 3.204) 13.689 0.714 ( -13.699 1.549 5.910) 15.000 1.079 ( 0.659 -1.817 -1.967) 2.758 1.113 ( -0.867 1.334 -5.934) 6.143 1.207 ( -1.872 -2.613 -2.810) 4.270 1.249 ( 2.572 2.138 -1.011) 3.494 1.301 ( -7.967 7.298 5.417) 12.086 1.353 ( 1.052 -1.318 -0.164) 1.694 1.420 ( 1.454 0.230 1.082) 1.827 1.458 ( -2.599 0.814 -1.356) 3.042 1.551 ( 2.752 1.640 3.235) 4.553 1.640 ( 3.416 -0.457 0.726) 3.522 1.695 ( 1.983 2.482 -0.327) 3.194 1.731 ( 1.449 -2.189 1.347) 2.950 1.755 ( 0.366 -0.700 -0.547) 0.960 1.825 ( -0.138 -0.338 -0.434) 0.568 2.066 ( -4.300 2.817 -1.480) 5.349 2.198 ( -1.954 -2.950 1.141) 3.718 2.234 ( 0.550 -0.295 1.094) 1.260 2.314 ( 2.909 -2.534 -2.393) 4.539 2.336 ( -0.958 1.755 1.194) 2.329 2.409 ( 3.592 -3.724 -2.278) 5.653 2.485 ( 2.191 1.474 1.864) 3.232 2.535 ( 0.922 1.104 -0.825) 1.658 2.590 ( -2.801 0.288 -0.184) 2.822 2.662 ( 0.632 -2.977 2.220) 3.767 2.728 ( 0.079 -0.564 -1.732) 1.823 2.854 ( 1.082 -0.863 2.690) 3.026 2.902 ( 0.862 1.401 -0.506) 1.722 2.995 ( -0.158 -1.604 0.209) 1.625 3.009 ( 3.045 -1.903 -0.074) 3.592 3.100 ( 4.122 1.128 0.665) 4.325 3.151 ( 3.074 -0.282 1.096) 3.276 3.207 ( 2.465 1.395 -0.489) 2.875 3.318 ( -3.375 2.851 -5.200) 6.824 3.526 ( -0.163 1.745 3.589) 3.994 3.565 ( -1.440 -0.195 -1.880) 2.376 3.614 ( 0.795 1.828 -0.526) 2.062 3.674 ( -1.172 -3.391 -4.180) 5.509 3.755 ( -1.146 -2.336 -1.566) 3.037 3.804 ( -2.102 2.670 2.859) 4.441 3.872 ( 0.956 0.971 0.131) 1.369 3.942 ( 0.597 2.031 -0.111) 2.120 3.990 ( 1.006 3.351 -0.213) 3.506 4.097 ( -5.138 -2.777 2.262) 6.263 4.184 ( 1.391 -0.511 -0.928) 1.748 4.278 ( 1.870 -4.825 3.238) 6.104 4.362 ( 1.032 0.538 -0.863) 1.449 4.493 ( 0.639 3.199 1.979) 3.815 4.495 ( -0.968 1.010 0.043) 1.400 4.603 ( 0.916 -5.851 -3.221) 6.741 4.696 ( 1.344 0.590 0.652) 1.606 4.764 ( -1.027 -1.505 1.023) 2.090 4.849 ( 1.661 0.595 -1.388) 2.245 4.977 ( -1.642 0.360 1.680) 2.377 5.026 ( 1.705 -1.148 0.577) 2.135 5.381 ( -3.705 0.391 1.049) 3.870 5.525 ( -0.810 1.056 -0.924) 1.620 5.571 ( 0.476 2.809 0.207) 2.857 5.821 ( 6.615 0.065 -0.861) 6.671 7.546 ( -6.013 -0.380 1.019) 6.110 7.655 ( -5.762 2.222 -3.192) 6.952 7.774 ( -3.425 -1.370 5.209) 6.383 7.951 ( 6.764 0.872 -5.387) 8.691 8.400 ( 4.176 4.570 -1.299) 6.325 8.698 ( 13.047 4.359 -0.471) 13.764 9.190 ( -2.848 0.036 -1.341) 3.149 9.217 ( -2.990 0.752 0.815) 3.189 12.165 ( -5.620 1.508 4.993) 7.668 12.453 ( 5.414 -1.390 -5.492) 7.836 13.119 ( -0.680 -2.765 5.770) 6.434 13.181 ( 3.265 -1.201 -1.731) 3.885 13.981 ( -4.714 1.068 -2.423) 5.406 14.143 ( -2.374 1.823 1.680) 3.433 14.256 ( -1.013 -2.541 -1.113) 2.954 14.394 ( 1.897 1.596 -1.672) 2.990 14.533 ( -1.908 0.776 1.200) 2.384 14.724 ( 0.244 5.371 3.880) 6.631 15.066 ( -5.451 -0.403 1.602) 5.695 15.489 ( 6.185 -2.259 0.773) 6.629 16.087 ( -0.685 -0.232 0.405) 0.829 16.266 ( 6.129 1.503 -3.639) 7.284 16.666 ( -4.523 -3.750 -0.864) 5.939 16.795 ( -1.767 -6.971 -2.064) 7.482 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -8.842 4.053 10.189) 14.087 0.616 ( -0.542 8.599 11.813) 14.622 0.997 ( -3.504 -0.787 -4.948) 6.114 1.056 ( 2.200 1.589 -9.986) 10.348 1.161 ( -4.517 2.629 3.686) 6.396 1.229 ( -4.872 7.076 6.515) 10.783 1.288 ( 2.779 3.012 1.196) 4.269 1.363 ( -1.105 0.399 2.752) 2.992 1.442 ( 1.421 0.515 1.775) 2.331 1.474 ( 2.693 1.601 -0.001) 3.134 1.589 ( -0.449 -0.495 -0.702) 0.970 1.690 ( 1.614 -0.231 -0.636) 1.751 1.725 ( 1.592 -1.176 -0.926) 2.185 1.738 ( 1.391 2.047 -0.244) 2.487 1.776 ( -0.295 -2.580 -0.444) 2.634 1.801 ( -1.105 1.444 -1.350) 2.265 2.018 ( 0.679 1.976 -1.644) 2.659 2.177 ( -2.537 -1.547 -0.109) 2.973 2.225 ( -2.266 1.322 -0.471) 2.665 2.307 ( -2.747 2.182 -0.282) 3.520 2.347 ( 3.079 -2.111 0.596) 3.781 2.451 ( 1.845 -2.466 0.067) 3.080 2.511 ( 0.915 -0.360 -0.571) 1.138 2.540 ( -1.968 -2.237 -1.264) 3.237 2.588 ( 5.394 0.632 -1.096) 5.541 2.692 ( 0.809 -1.491 1.930) 2.569 2.715 ( -0.669 -0.594 0.823) 1.216 2.828 ( -0.837 0.968 -3.074) 3.330 2.931 ( -5.090 -1.814 -1.496) 5.607 2.955 ( 0.885 -1.070 3.755) 4.003 3.008 ( -2.043 -2.658 -3.825) 5.086 3.118 ( -0.274 2.706 -2.197) 3.496 3.194 ( 3.055 1.474 1.252) 3.616 3.273 ( 3.651 -2.130 3.081) 5.230 3.359 ( 6.501 4.768 -2.056) 8.320 3.509 ( -1.969 -0.141 -2.562) 3.234 3.540 ( -3.696 -1.746 2.500) 4.792 3.598 ( -0.334 -2.384 -3.392) 4.160 3.654 ( 2.883 1.642 2.159) 3.959 3.761 ( 2.398 -3.658 -0.240) 4.381 3.789 ( -0.205 2.329 2.095) 3.139 3.891 ( 1.212 -1.080 -0.066) 1.625 3.954 ( -0.711 -0.188 1.047) 1.279 3.979 ( -3.331 1.495 0.340) 3.667 4.069 ( -1.074 -0.237 3.896) 4.048 4.201 ( 1.505 0.959 -0.606) 1.884 4.303 ( -2.486 0.379 -4.295) 4.977 4.358 ( 1.312 -2.664 2.154) 3.669 4.421 ( -2.438 -1.693 -4.540) 5.424 4.492 ( -1.696 0.447 -0.419) 1.804 4.638 ( 2.722 -2.705 0.358) 3.854 4.715 ( 0.893 1.456 -1.285) 2.137 4.817 ( 2.478 -4.854 6.239) 8.284 4.873 ( 2.341 -0.928 0.048) 2.519 4.958 ( -1.784 0.978 0.578) 2.115 5.061 ( -0.800 -3.293 2.142) 4.009 5.370 ( 2.128 3.090 0.655) 3.808 5.497 ( -1.851 1.411 0.236) 2.339 5.599 ( 2.120 4.260 0.321) 4.769 5.872 ( 2.136 2.194 -5.740) 6.506 7.460 ( -3.813 0.437 -0.100) 3.839 7.528 ( -5.123 1.799 -2.070) 5.811 7.772 ( -5.438 1.422 8.508) 10.197 7.981 ( 6.365 2.255 -9.523) 11.674 8.499 ( 7.299 5.532 0.455) 9.170 8.874 ( 7.686 3.709 -4.801) 9.792 9.080 ( -3.188 -0.505 -4.688) 5.691 9.170 ( -5.636 0.288 2.869) 6.331 12.152 ( -3.422 1.438 6.889) 7.825 12.445 ( 2.245 -1.789 -8.142) 8.633 13.174 ( -0.318 -2.963 5.280) 6.062 13.222 ( 3.026 -1.294 -1.120) 3.476 13.915 ( -0.701 2.102 0.716) 2.329 14.084 ( -4.285 1.524 -0.684) 4.599 14.261 ( 0.029 -1.382 2.364) 2.738 14.430 ( 4.421 2.960 0.456) 5.340 14.488 ( -4.910 -1.156 -1.259) 5.199 14.709 ( -2.464 2.033 -0.806) 3.295 15.151 ( 6.671 -2.131 10.538) 12.653 15.566 ( 1.936 -3.121 -0.466) 3.702 16.100 ( 1.776 -0.282 0.715) 1.935 16.326 ( 5.136 1.403 -4.430) 6.926 16.567 ( -5.813 -3.590 -1.378) 6.970 16.663 ( -7.807 -2.317 -4.192) 9.159 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.161 9.462 6.461) 11.459 0.923 ( 1.115 4.082 -7.299) 8.437 0.941 ( -0.533 9.884 7.879) 12.652 1.096 ( 1.629 6.119 -6.792) 9.286 1.241 ( 3.152 -0.252 2.762) 4.199 1.266 ( -3.086 0.177 0.114) 3.093 1.399 ( 1.788 -0.681 3.562) 4.043 1.425 ( 0.286 -2.950 3.188) 4.353 1.496 ( -2.153 3.610 -0.264) 4.212 1.519 ( -0.286 3.246 -1.474) 3.577 1.607 ( 1.776 1.567 1.853) 3.007 1.669 ( -1.708 -0.568 -2.550) 3.122 1.687 ( -2.352 -1.165 1.085) 2.840 1.713 ( 2.505 -1.579 -1.617) 3.374 1.772 ( -0.715 2.261 2.178) 3.220 1.827 ( 0.323 1.596 -1.699) 2.354 2.094 ( 2.287 2.476 0.935) 3.498 2.121 ( -3.350 3.575 -2.015) 5.298 2.224 ( -1.247 -1.745 2.797) 3.525 2.308 ( -0.302 -2.355 -4.158) 4.788 2.372 ( 1.585 2.282 2.298) 3.606 2.429 ( -0.041 -2.745 0.847) 2.872 2.439 ( -1.095 -3.442 0.551) 3.654 2.476 ( 0.823 2.579 -5.055) 5.734 2.610 ( -2.102 -2.676 1.448) 3.698 2.650 ( 2.891 -3.282 -2.137) 4.868 2.717 ( -0.867 -2.369 4.354) 5.032 2.802 ( 1.744 -1.816 -2.438) 3.505 2.882 ( -0.154 2.193 -0.741) 2.320 2.906 ( -1.345 3.618 -2.339) 4.513 3.027 ( 0.794 -0.130 1.529) 1.727 3.086 ( -0.617 -0.271 -3.431) 3.496 3.296 ( 1.505 0.529 2.202) 2.719 3.310 ( -0.746 0.563 1.716) 1.954 3.437 ( -5.455 0.096 -0.071) 5.457 3.461 ( 1.692 0.728 0.079) 1.844 3.472 ( -0.955 -1.514 1.943) 2.642 3.536 ( 3.378 -3.301 -1.979) 5.121 3.678 ( 0.672 -2.614 0.088) 2.700 3.698 ( -1.062 -3.440 -1.526) 3.911 3.866 ( 2.507 -0.384 2.413) 3.501 3.881 ( -1.962 0.130 1.662) 2.575 3.918 ( -1.439 0.992 0.416) 1.796 3.959 ( 0.451 0.662 -3.095) 3.197 4.133 ( -0.543 1.227 3.520) 3.767 4.196 ( 0.811 -0.903 -1.891) 2.247 4.286 ( 0.339 1.264 1.696) 2.142 4.354 ( 0.316 -0.189 -3.372) 3.392 4.382 ( 1.604 0.837 0.358) 1.844 4.415 ( -2.423 -0.344 -2.588) 3.562 4.662 ( 2.988 -2.144 2.213) 4.293 4.678 ( -3.579 -1.915 0.361) 4.075 4.789 ( -3.183 -1.968 3.865) 5.379 4.854 ( 3.795 -3.114 -2.231) 5.393 4.998 ( 0.606 0.962 0.058) 1.138 5.006 ( 0.585 0.669 -0.939) 1.293 5.511 ( -1.224 3.705 1.191) 4.080 5.533 ( 1.608 5.338 -0.914) 5.649 5.725 ( -0.432 0.849 5.293) 5.378 5.840 ( -0.237 -0.503 -5.267) 5.296 7.467 ( -1.165 2.063 0.514) 2.424 7.488 ( 1.427 1.016 -1.344) 2.208 7.838 ( -4.106 3.571 7.500) 9.266 7.990 ( 3.997 -0.651 -6.516) 7.672 8.787 ( 8.702 7.172 0.027) 11.276 8.849 ( -9.744 4.917 -5.566) 12.252 9.057 ( -7.558 -1.703 1.191) 7.839 9.085 ( 7.612 -2.305 -1.453) 8.085 12.223 ( -1.050 1.812 6.199) 6.543 12.355 ( 1.553 -1.600 -6.175) 6.565 13.136 ( -2.360 -2.602 3.519) 4.972 13.198 ( 2.165 -3.396 -2.347) 4.661 14.010 ( 2.508 2.763 1.968) 4.219 14.052 ( -2.501 2.951 -2.091) 4.397 14.274 ( 1.937 -2.032 2.941) 4.066 14.342 ( -2.055 -2.575 -3.552) 4.845 14.630 ( 5.227 4.417 1.813) 7.079 14.671 ( -4.503 2.861 -1.993) 5.695 15.294 ( 3.706 -4.351 9.217) 10.845 15.421 ( -3.214 -5.908 -2.793) 7.282 16.155 ( -1.552 1.382 4.029) 4.533 16.285 ( 1.626 -1.217 -7.885) 8.142 16.508 ( 0.467 0.533 1.848) 1.979 16.543 ( -1.664 -0.298 -1.495) 2.257 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.779 6.059 5.424) 8.593 0.886 ( 4.233 5.422 -7.510) 10.185 0.963 ( -3.143 6.904 0.049) 7.586 1.006 ( -3.057 7.553 -0.996) 8.209 1.221 ( -1.715 -0.007 -2.002) 2.636 1.315 ( 1.311 -2.539 0.721) 2.947 1.362 ( -4.318 0.387 -1.067) 4.465 1.430 ( -1.997 -1.285 -0.702) 2.476 1.481 ( -1.215 0.189 1.423) 1.881 1.534 ( 1.366 1.189 1.458) 2.326 1.600 ( -0.451 2.737 -2.215) 3.549 1.656 ( -1.599 -0.374 1.481) 2.211 1.689 ( 2.003 -0.522 1.556) 2.589 1.738 ( 1.941 -0.083 -0.818) 2.108 1.797 ( 0.382 1.324 1.480) 2.022 1.816 ( 0.320 2.832 -1.433) 3.190 2.054 ( -1.442 3.457 0.339) 3.761 2.160 ( 0.253 1.809 1.303) 2.244 2.228 ( 0.186 -2.977 0.858) 3.103 2.278 ( -0.082 -2.290 0.236) 2.303 2.360 ( -4.149 0.107 1.696) 4.484 2.409 ( 0.258 -0.629 -1.400) 1.556 2.442 ( -0.419 -3.895 0.708) 3.980 2.459 ( 0.568 -1.187 -2.412) 2.747 2.607 ( 1.702 0.616 1.618) 2.428 2.703 ( 2.636 -3.210 -3.383) 5.357 2.744 ( -0.774 -0.024 0.079) 0.778 2.782 ( 1.141 -0.077 0.956) 1.491 2.881 ( 1.118 1.439 -0.773) 1.979 2.918 ( 2.452 3.882 2.759) 5.357 2.969 ( -4.235 -2.491 -0.322) 4.924 3.131 ( 3.758 0.936 -0.296) 3.884 3.255 ( -4.946 -0.117 -1.989) 5.332 3.327 ( -0.284 1.128 -0.173) 1.176 3.385 ( -0.923 -1.520 3.494) 3.921 3.425 ( -6.253 -0.568 2.202) 6.654 3.527 ( 3.193 1.488 -0.944) 3.647 3.563 ( 3.567 -2.467 -2.402) 4.958 3.651 ( -2.020 -2.850 0.625) 3.549 3.706 ( 1.061 -1.641 0.551) 2.031 3.836 ( -3.917 1.302 -1.349) 4.342 3.877 ( 0.775 0.695 1.027) 1.462 3.946 ( 3.285 -1.438 0.540) 3.627 4.000 ( 2.688 -0.868 0.163) 2.830 4.135 ( -1.159 1.112 0.817) 1.802 4.215 ( 2.449 -0.161 -1.817) 3.054 4.268 ( -3.420 0.423 0.479) 3.479 4.325 ( -0.017 0.500 -0.594) 0.777 4.373 ( -0.162 0.204 -0.400) 0.477 4.446 ( 3.145 -0.432 1.634) 3.571 4.600 ( -4.788 -2.156 -0.223) 5.255 4.702 ( -1.099 -3.441 0.956) 3.737 4.767 ( -1.290 0.823 1.429) 2.094 4.890 ( 1.990 -0.991 -1.473) 2.667 5.002 ( 1.991 0.602 -1.654) 2.658 5.054 ( 4.219 -1.465 -1.184) 4.620 5.457 ( -4.211 4.336 -0.051) 6.045 5.557 ( 0.999 4.383 -0.557) 4.530 5.696 ( -5.580 0.712 0.737) 5.673 5.804 ( -1.197 -0.139 0.362) 1.258 7.467 ( 1.758 1.733 0.321) 2.489 7.556 ( 5.985 0.522 -0.686) 6.047 7.835 ( -4.703 3.768 5.752) 8.331 8.000 ( 5.015 -0.296 -5.957) 7.792 8.624 ( -10.540 4.969 -1.657) 11.769 8.843 ( -8.204 2.125 2.327) 8.788 9.003 ( 3.559 1.727 2.864) 4.884 9.200 ( 6.421 -1.625 -1.473) 6.785 12.284 ( 0.118 0.640 5.677) 5.714 12.326 ( 3.375 -0.084 -6.678) 7.483 13.116 ( -4.030 -2.069 3.221) 5.558 13.199 ( 1.178 -3.876 -2.908) 4.987 13.997 ( -0.851 3.416 -1.550) 3.846 14.083 ( 2.804 1.260 1.686) 3.506 14.291 ( 0.193 -1.678 -3.077) 3.510 14.360 ( 3.261 -3.176 3.094) 5.503 14.561 ( -4.014 4.479 -1.534) 6.206 14.738 ( 4.480 2.086 0.809) 5.008 15.274 ( -5.560 -2.721 -3.505) 7.113 15.447 ( 2.795 -4.036 2.319) 5.430 16.126 ( -3.333 2.088 1.131) 4.092 16.264 ( -0.053 -1.342 -1.063) 1.713 16.518 ( 1.372 -0.571 -0.057) 1.488 16.569 ( 2.500 -1.520 1.860) 3.467 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.860 4.779 -5.536) 7.364 0.911 ( 6.255 4.369 -5.678) 9.511 0.975 ( 2.678 1.139 4.320) 5.209 1.048 ( 1.735 4.707 4.980) 7.068 1.161 ( -1.322 -0.064 -1.456) 1.968 1.275 ( -4.852 0.297 0.555) 4.893 1.308 ( -3.014 -1.742 -0.504) 3.518 1.391 ( -2.743 -2.961 0.712) 4.098 1.451 ( -2.365 0.095 -0.506) 2.421 1.525 ( -1.260 3.989 -1.687) 4.510 1.598 ( 1.022 1.432 -1.394) 2.245 1.658 ( -0.279 0.498 1.206) 1.334 1.719 ( -0.092 -2.244 -0.073) 2.247 1.767 ( 2.169 1.903 -0.433) 2.918 1.780 ( -2.882 3.371 -1.669) 4.739 1.806 ( -0.029 -0.521 0.064) 0.526 2.078 ( 2.390 1.718 2.011) 3.565 2.151 ( -1.023 -1.816 0.759) 2.218 2.202 ( -3.437 -2.039 2.038) 4.486 2.289 ( 0.643 0.163 -0.351) 0.751 2.346 ( -3.104 -2.727 -2.699) 4.935 2.368 ( 0.070 -1.804 0.572) 1.893 2.447 ( -0.275 -3.406 3.585) 4.952 2.483 ( 3.215 -1.599 -1.800) 4.016 2.643 ( 0.375 2.100 -0.652) 2.231 2.667 ( -0.025 -1.988 -2.864) 3.486 2.730 ( -0.005 2.296 -0.785) 2.427 2.840 ( 1.816 4.157 1.531) 4.788 2.897 ( -2.637 -3.507 -1.360) 4.594 2.942 ( 3.814 -3.101 2.485) 5.507 2.989 ( -0.046 3.272 2.069) 3.872 3.131 ( -3.511 0.799 -0.862) 3.702 3.185 ( 0.473 0.438 -2.238) 2.329 3.294 ( -2.747 -0.482 0.909) 2.933 3.324 ( -2.098 4.608 -1.609) 5.313 3.439 ( -0.314 -3.816 5.649) 6.825 3.561 ( 1.520 1.262 0.752) 2.114 3.605 ( 3.239 0.514 -1.208) 3.495 3.654 ( -0.190 -1.994 3.260) 3.826 3.706 ( -1.223 3.164 -1.805) 3.843 3.819 ( 2.462 -1.142 2.020) 3.383 3.915 ( 2.026 1.865 -0.419) 2.785 3.970 ( 0.531 -0.972 -1.544) 1.900 4.028 ( 0.210 -1.358 0.494) 1.460 4.111 ( -0.323 -0.507 -3.035) 3.094 4.174 ( -3.216 1.598 0.523) 3.629 4.291 ( 0.340 -1.022 -4.511) 4.638 4.313 ( 1.130 -3.238 4.771) 5.875 4.384 ( 0.122 0.169 2.161) 2.171 4.510 ( 1.602 -0.573 1.194) 2.078 4.527 ( -2.940 -1.451 0.174) 3.283 4.667 ( -2.487 -4.074 -0.160) 4.776 4.774 ( 0.287 3.211 1.024) 3.382 4.900 ( 1.010 0.772 -1.300) 1.819 5.023 ( 2.052 0.782 -1.455) 2.634 5.071 ( 0.111 0.270 -3.619) 3.630 5.409 ( 0.168 1.372 -0.258) 1.406 5.551 ( -1.379 3.105 -0.328) 3.413 5.626 ( -2.418 0.457 0.578) 2.528 5.764 ( -4.059 -1.234 0.893) 4.336 7.536 ( 4.951 0.837 1.305) 5.188 7.652 ( 5.566 -0.665 -0.894) 5.677 7.801 ( -4.856 4.044 3.314) 7.136 8.015 ( 3.518 -0.710 -6.488) 7.415 8.472 ( -6.053 4.949 1.311) 7.928 8.685 ( -11.483 -0.135 3.233) 11.930 9.114 ( 2.738 2.931 4.668) 6.154 9.268 ( 3.687 -1.213 -2.111) 4.419 12.319 ( 2.844 0.601 -3.461) 4.520 12.339 ( 0.874 0.179 0.965) 1.314 13.071 ( -4.821 -1.481 2.844) 5.790 13.176 ( 0.478 -4.080 -3.925) 5.681 13.996 ( 1.614 2.866 0.373) 3.310 14.139 ( 1.777 -0.626 1.755) 2.575 14.264 ( -0.762 0.561 -2.084) 2.289 14.398 ( -0.474 -2.682 -0.988) 2.897 14.547 ( 1.222 4.194 2.682) 5.126 14.830 ( 5.832 0.394 1.909) 6.149 15.152 ( -3.015 2.313 -5.090) 6.352 15.463 ( -1.169 -2.371 -1.692) 3.139 16.105 ( 0.432 1.291 -0.136) 1.368 16.230 ( -3.915 -0.165 1.535) 4.208 16.562 ( 2.400 -2.920 1.165) 3.956 16.632 ( 1.698 -4.273 2.076) 5.045 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 6.365 0.972 -0.131) 6.440 0.971 ( 5.882 0.217 -3.630) 6.915 1.049 ( 1.528 0.154 1.778) 2.349 1.131 ( -2.741 0.838 1.579) 3.273 1.147 ( 0.560 2.816 2.754) 3.978 1.205 ( -1.469 -0.350 1.332) 2.013 1.263 ( -0.584 -2.105 0.558) 2.255 1.340 ( -2.778 -2.293 0.213) 3.608 1.391 ( -3.029 -0.018 -1.567) 3.410 1.485 ( -1.093 1.573 -2.472) 3.127 1.580 ( -1.165 2.210 -0.936) 2.668 1.654 ( -0.503 0.186 -2.053) 2.122 1.691 ( -1.708 1.055 -0.014) 2.007 1.713 ( -1.258 2.110 -1.117) 2.699 1.799 ( 0.915 0.223 -0.511) 1.072 1.806 ( 0.071 -0.137 0.717) 0.734 2.144 ( 0.440 -0.945 2.896) 3.077 2.160 ( 0.718 -3.906 1.556) 4.266 2.182 ( -0.809 -0.929 1.180) 1.706 2.260 ( -1.319 -4.657 -2.859) 5.621 2.330 ( 2.759 0.092 -0.059) 2.762 2.390 ( 1.402 3.236 2.509) 4.328 2.437 ( -2.081 -4.179 -0.321) 4.680 2.526 ( 1.959 -1.109 -0.435) 2.292 2.607 ( -0.245 -2.405 -3.106) 3.936 2.661 ( -0.478 -0.935 -3.767) 3.911 2.714 ( -1.620 3.553 2.870) 4.846 2.815 ( -4.140 -1.041 -0.495) 4.297 2.877 ( 0.070 3.784 -0.185) 3.789 2.944 ( -0.637 2.078 -1.752) 2.792 3.033 ( 2.221 -0.900 1.516) 2.836 3.085 ( -1.323 1.589 -0.314) 2.091 3.163 ( 1.181 0.223 -1.401) 1.846 3.223 ( -3.501 4.479 -1.176) 5.806 3.409 ( 6.170 2.636 2.471) 7.151 3.480 ( -2.466 -4.745 5.688) 7.807 3.580 ( -0.383 0.857 0.707) 1.176 3.634 ( 0.215 2.461 -2.114) 3.251 3.684 ( 2.480 2.928 3.352) 5.095 3.734 ( 3.057 -1.449 3.341) 4.754 3.859 ( -1.137 -0.819 -0.739) 1.584 3.896 ( -1.072 1.126 -4.504) 4.764 3.976 ( 0.374 1.857 1.546) 2.445 4.029 ( 0.162 0.104 -0.905) 0.925 4.104 ( 2.686 -5.209 -0.615) 5.893 4.126 ( -3.149 0.772 1.727) 3.674 4.253 ( 0.389 1.210 -2.848) 3.119 4.318 ( -3.102 -2.388 -0.333) 3.929 4.448 ( 1.194 -2.523 4.410) 5.219 4.505 ( 1.414 -1.105 0.999) 2.054 4.532 ( -0.164 -0.553 -0.388) 0.695 4.619 ( -2.298 -4.270 -1.295) 5.020 4.803 ( 1.180 3.515 1.593) 4.036 4.889 ( -0.106 2.434 -2.359) 3.391 5.018 ( -1.232 1.506 -1.357) 2.372 5.034 ( 1.057 1.573 -2.069) 2.806 5.446 ( 3.027 -1.928 0.027) 3.589 5.506 ( -2.700 0.323 -0.437) 2.754 5.624 ( -0.277 0.551 2.163) 2.249 5.701 ( -2.244 -0.188 -1.137) 2.522 7.647 ( 3.685 -0.373 3.016) 4.777 7.718 ( 2.791 -1.438 -0.915) 3.270 7.755 ( -2.352 4.162 2.294) 5.303 7.954 ( -1.322 -1.559 -8.037) 8.293 8.461 ( 2.310 4.715 2.203) 5.694 8.546 ( -7.839 1.740 2.759) 8.490 9.186 ( 0.025 1.881 4.376) 4.763 9.285 ( 1.550 -0.847 -2.835) 3.341 12.319 ( -3.041 0.811 1.932) 3.693 12.354 ( 4.654 0.519 -5.028) 6.871 13.028 ( -3.668 -1.579 3.556) 5.347 13.133 ( 0.489 -3.936 -4.868) 6.280 14.057 ( 3.182 1.453 2.492) 4.295 14.186 ( -1.184 -2.143 1.427) 2.834 14.215 ( 0.154 2.175 -0.802) 2.324 14.352 ( -1.455 -3.017 -3.791) 5.059 14.633 ( 2.835 6.794 6.680) 9.941 14.932 ( 1.653 7.177 -4.734) 8.755 15.090 ( 0.914 -3.041 4.057) 5.152 15.383 ( -2.940 -1.542 -5.848) 6.725 16.130 ( 1.602 0.629 0.466) 1.783 16.179 ( -2.038 0.332 -0.132) 2.070 16.613 ( 0.979 -4.495 2.518) 5.244 16.661 ( -0.087 -5.784 0.649) 5.821 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -7.921 0.390 0.815) 7.972 0.949 ( -6.763 3.455 -2.464) 7.984 1.059 ( 0.615 1.285 0.308) 1.458 1.138 ( 5.629 -0.384 0.655) 5.680 1.196 ( -0.810 -0.194 -0.576) 1.013 1.223 ( 2.655 -1.363 0.217) 2.993 1.302 ( -0.433 -3.360 -2.904) 4.462 1.311 ( 3.454 -2.081 2.100) 4.546 1.397 ( 2.185 0.423 3.733) 4.346 1.417 ( 0.060 2.031 -3.243) 3.827 1.590 ( 0.644 1.101 2.546) 2.848 1.604 ( -1.082 1.252 -2.016) 2.608 1.686 ( -0.234 1.643 0.762) 1.826 1.712 ( 2.137 2.180 -0.755) 3.144 1.787 ( -2.062 -0.189 1.000) 2.300 1.817 ( 0.520 -0.106 -0.511) 0.737 2.148 ( -2.309 -2.113 1.744) 3.583 2.174 ( -0.766 -2.617 1.888) 3.316 2.212 ( 3.168 -1.447 -1.657) 3.857 2.247 ( 3.079 -5.219 -1.973) 6.372 2.329 ( -4.793 2.696 -0.223) 5.504 2.392 ( 2.177 -0.166 0.735) 2.304 2.482 ( -2.993 0.021 -3.764) 4.809 2.518 ( 4.633 -1.599 3.565) 6.060 2.571 ( -2.636 -1.051 -2.055) 3.503 2.609 ( 0.394 0.252 0.252) 0.531 2.735 ( -1.366 0.712 3.043) 3.411 2.759 ( -0.684 -0.546 0.672) 1.104 2.897 ( 2.295 -0.772 1.251) 2.725 2.961 ( 5.006 3.813 -4.181) 7.555 3.046 ( -2.283 2.408 0.599) 3.372 3.081 ( 1.569 0.871 -0.470) 1.855 3.162 ( -1.876 4.201 -1.154) 4.743 3.194 ( 2.603 1.508 0.980) 3.164 3.445 ( -4.737 -1.802 0.014) 5.068 3.524 ( 4.026 1.401 1.921) 4.676 3.592 ( -0.223 -0.418 1.608) 1.676 3.601 ( -1.523 -0.137 -1.604) 2.216 3.764 ( -4.799 0.263 -2.567) 5.449 3.782 ( 0.698 2.895 2.617) 3.964 3.809 ( 0.291 0.337 0.105) 0.457 3.835 ( 1.790 -0.587 -0.575) 1.970 3.996 ( -0.381 0.280 1.752) 1.814 4.014 ( -0.127 0.717 -1.898) 2.033 4.085 ( -3.087 -3.170 2.310) 4.991 4.166 ( 3.312 -2.011 -1.811) 4.277 4.221 ( -4.053 1.278 -0.197) 4.254 4.304 ( 5.146 -0.337 0.384) 5.171 4.492 ( -0.444 -0.487 2.202) 2.298 4.511 ( -0.439 -0.387 0.152) 0.605 4.544 ( -2.185 -4.573 -2.065) 5.473 4.591 ( 3.452 -4.087 0.478) 5.371 4.822 ( -1.865 4.291 1.291) 4.853 4.868 ( 1.700 2.482 -2.282) 3.776 5.002 ( -0.640 1.421 0.699) 1.708 5.023 ( 0.123 1.197 -1.405) 1.850 5.437 ( -3.631 -0.599 0.791) 3.764 5.512 ( 3.338 -1.403 -0.920) 3.736 5.624 ( -2.559 1.012 2.022) 3.415 5.707 ( 4.778 -0.598 -1.523) 5.051 7.639 ( -5.741 0.990 2.538) 6.354 7.744 ( -1.034 -1.666 0.282) 1.981 7.810 ( 0.454 1.823 -1.244) 2.253 7.847 ( 2.930 -1.094 -2.151) 3.796 8.478 ( -1.303 4.320 0.568) 4.548 8.582 ( 9.200 2.857 -0.328) 9.639 9.216 ( -1.509 1.137 3.545) 4.017 9.267 ( 0.199 -0.207 -3.034) 3.048 12.265 ( -5.424 2.112 2.702) 6.417 12.389 ( 4.678 -0.836 -4.179) 6.329 13.028 ( -1.600 -1.993 4.632) 5.290 13.108 ( 2.607 -3.324 -3.857) 5.720 14.107 ( -4.086 1.291 -2.005) 4.731 14.142 ( 2.442 1.054 3.395) 4.313 14.270 ( -2.143 -2.134 -3.102) 4.332 14.285 ( 2.896 -2.232 1.565) 3.978 14.768 ( 1.272 8.910 7.680) 11.831 14.799 ( -3.981 8.417 -7.609) 12.025 15.166 ( -6.405 -2.966 3.467) 7.864 15.301 ( 5.163 -4.253 -3.044) 7.349 16.120 ( -2.238 1.351 0.951) 2.782 16.210 ( 5.826 0.064 -2.489) 6.336 16.624 ( -3.048 -5.571 1.762) 6.590 16.667 ( 0.890 -5.646 0.095) 5.717 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -5.849 7.198 2.656) 9.647 0.823 ( -7.400 7.460 2.230) 10.742 1.056 ( -0.397 -0.266 -2.339) 2.388 1.138 ( -1.472 -2.050 -2.979) 3.905 1.160 ( -0.044 1.601 -2.611) 3.063 1.274 ( 2.908 -1.632 0.599) 3.388 1.311 ( 2.762 -0.999 -0.777) 3.038 1.389 ( 2.180 -1.197 1.346) 2.828 1.440 ( 1.801 1.159 0.217) 2.152 1.474 ( 1.931 3.124 2.776) 4.604 1.577 ( 0.140 1.010 -0.005) 1.019 1.648 ( 1.415 0.790 2.153) 2.694 1.701 ( 0.589 -0.591 1.382) 1.615 1.750 ( -1.846 1.360 0.910) 2.467 1.757 ( 1.634 1.920 0.082) 2.523 1.817 ( 0.388 -0.636 -0.287) 0.799 2.110 ( -3.194 -0.250 -1.033) 3.367 2.158 ( -0.306 0.305 -0.396) 0.586 2.251 ( -0.356 2.320 2.886) 3.720 2.272 ( 2.638 -1.712 -3.569) 4.757 2.311 ( 4.303 -4.210 0.817) 6.075 2.390 ( -1.652 2.252 -1.475) 3.158 2.458 ( 0.578 -3.981 -0.136) 4.025 2.526 ( 1.353 -1.915 -2.501) 3.428 2.599 ( 2.009 -2.897 1.133) 3.703 2.612 ( -2.083 1.695 2.680) 3.794 2.727 ( -0.005 2.194 -0.208) 2.204 2.808 ( -0.107 -2.098 4.701) 5.149 2.933 ( -0.677 2.014 -4.492) 4.969 2.964 ( 0.610 -3.634 0.484) 3.717 3.042 ( 2.988 3.736 -2.057) 5.208 3.125 ( -1.154 0.423 1.740) 2.130 3.132 ( 3.914 1.064 -0.289) 4.066 3.274 ( 2.510 3.945 2.745) 5.422 3.348 ( -1.918 0.130 -3.371) 3.881 3.541 ( -4.226 0.352 1.584) 4.527 3.566 ( 0.380 -5.937 -4.559) 7.495 3.589 ( -1.965 1.908 0.662) 2.817 3.683 ( -0.454 1.412 0.170) 1.493 3.724 ( -1.085 0.971 -3.384) 3.685 3.855 ( -0.981 -0.258 0.751) 1.262 3.873 ( 0.258 1.418 1.998) 2.464 3.954 ( -3.382 -0.268 0.032) 3.393 4.025 ( 0.818 0.212 2.087) 2.251 4.058 ( -0.773 -1.121 -0.947) 1.659 4.189 ( -1.537 -1.818 3.939) 4.603 4.213 ( 3.916 1.167 -1.737) 4.440 4.383 ( 2.499 0.532 -1.071) 2.770 4.456 ( -2.430 -3.430 -4.548) 6.193 4.509 ( 1.523 -3.195 1.731) 3.940 4.522 ( -0.276 0.086 0.449) 0.534 4.654 ( 2.046 -4.152 1.056) 4.748 4.790 ( -1.938 3.734 0.498) 4.237 4.873 ( -0.393 1.414 -0.132) 1.473 4.998 ( -0.843 1.350 0.650) 1.719 5.022 ( 0.189 0.552 0.767) 0.964 5.405 ( 0.131 2.099 0.126) 2.106 5.552 ( 1.613 1.169 -0.460) 2.044 5.612 ( -0.374 1.147 1.568) 1.978 5.792 ( 6.020 -2.791 -1.282) 6.758 7.555 ( -5.210 1.051 0.123) 5.316 7.653 ( -5.750 -1.604 -1.319) 6.114 7.805 ( -1.270 3.241 3.582) 4.995 7.942 ( 5.130 -1.197 -0.753) 5.321 8.511 ( 6.002 5.841 -2.049) 8.622 8.752 ( 11.705 0.400 -2.591) 11.995 9.202 ( -2.257 0.989 -1.707) 2.997 9.228 ( -2.487 0.360 0.108) 2.516 12.210 ( -4.855 2.811 4.158) 6.983 12.412 ( 2.654 -2.572 -3.633) 5.182 13.066 ( 0.186 -2.059 4.274) 4.747 13.137 ( 3.635 -2.838 -1.680) 4.908 14.019 ( -3.358 2.572 -1.705) 4.561 14.180 ( -2.710 0.860 -1.232) 3.099 14.211 ( 0.515 -1.061 1.804) 2.155 14.370 ( 3.552 -2.756 1.690) 4.803 14.629 ( -4.255 7.222 -5.507) 10.030 14.844 ( -3.800 5.899 2.749) 7.536 15.052 ( -3.643 -0.653 2.414) 4.419 15.408 ( 3.748 -5.849 2.947) 7.546 16.105 ( 0.039 2.107 -0.186) 2.116 16.287 ( 6.296 0.024 -3.362) 7.137 16.570 ( -4.086 -4.443 0.434) 6.052 16.666 ( -1.043 -5.319 -0.730) 5.469 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -4.557 9.981 5.289) 12.181 0.816 ( 2.655 10.003 7.527) 12.797 0.994 ( -0.825 1.191 -5.737) 5.917 1.115 ( 2.461 3.422 -4.508) 6.171 1.165 ( 1.845 -0.529 1.775) 2.614 1.315 ( -1.343 -1.092 0.707) 1.869 1.342 ( 1.902 1.037 1.226) 2.489 1.392 ( -1.783 0.303 2.143) 2.804 1.482 ( 1.974 3.501 1.575) 4.317 1.524 ( 0.747 4.267 1.140) 4.479 1.583 ( 0.291 -0.172 0.061) 0.344 1.680 ( 1.390 -0.479 -0.106) 1.474 1.713 ( -1.013 -2.677 -0.115) 2.864 1.718 ( -1.365 0.639 0.475) 1.581 1.776 ( -0.872 1.482 0.811) 1.902 1.831 ( 1.036 0.694 -0.614) 1.390 2.064 ( -0.169 1.960 -0.312) 1.992 2.175 ( 0.949 1.971 0.199) 2.197 2.229 ( -1.645 -0.578 -1.436) 2.258 2.320 ( 1.674 -1.413 1.513) 2.662 2.350 ( 0.658 1.050 -1.782) 2.171 2.403 ( 2.979 -1.127 1.261) 3.426 2.434 ( -1.485 -4.654 -1.291) 5.053 2.521 ( 2.102 -1.436 -5.493) 6.054 2.603 ( -1.611 1.649 2.111) 3.126 2.647 ( 1.752 -2.462 1.226) 3.260 2.722 ( -1.633 1.101 0.301) 1.992 2.798 ( -2.102 -3.029 0.136) 3.689 2.887 ( -0.665 -2.789 0.767) 2.968 2.971 ( -0.480 0.060 -2.422) 2.470 3.007 ( 0.440 5.559 -4.626) 7.245 3.149 ( -1.779 -0.315 -0.998) 2.064 3.209 ( 5.275 -1.046 2.438) 5.904 3.276 ( -0.036 2.538 3.118) 4.021 3.420 ( 4.981 0.223 1.016) 5.089 3.489 ( -2.642 -1.545 0.608) 3.121 3.511 ( -0.062 -4.523 -3.411) 5.666 3.530 ( -4.264 0.957 -0.339) 4.383 3.673 ( 0.095 -2.748 -1.316) 3.048 3.721 ( 0.392 1.128 -0.428) 1.268 3.826 ( 0.216 0.387 0.206) 0.489 3.876 ( -1.089 2.079 1.246) 2.657 3.928 ( -1.591 -0.892 1.143) 2.152 4.023 ( -2.042 1.081 -1.659) 2.844 4.081 ( 1.166 1.134 4.144) 4.451 4.197 ( -0.299 -1.406 0.760) 1.626 4.278 ( 2.556 -1.489 1.219) 3.199 4.340 ( -0.683 -1.104 -4.536) 4.718 4.410 ( -0.095 0.931 -2.358) 2.537 4.490 ( -2.206 0.266 -2.237) 3.153 4.576 ( 3.158 -3.196 2.616) 5.199 4.693 ( 0.718 -3.648 1.608) 4.051 4.777 ( -0.904 1.232 1.679) 2.270 4.854 ( -1.482 -0.880 0.216) 1.737 4.990 ( -0.086 1.670 -0.227) 1.687 5.026 ( -1.447 -0.290 1.054) 1.814 5.451 ( 4.205 4.665 0.475) 6.298 5.550 ( -1.029 3.807 -0.016) 3.943 5.656 ( 2.219 0.823 2.708) 3.596 5.860 ( 3.778 -3.108 -3.097) 5.790 7.482 ( -2.204 1.508 -0.762) 2.777 7.549 ( -5.046 0.316 -0.421) 5.074 7.822 ( -3.048 3.282 6.448) 7.851 7.989 ( 3.598 -1.044 -4.262) 5.675 8.630 ( 10.084 6.744 -2.410) 12.369 8.917 ( 10.636 -0.386 -3.629) 11.245 9.086 ( -6.319 1.410 -5.080) 8.229 9.171 ( -5.501 -0.268 0.963) 5.591 12.194 ( -3.098 2.657 5.587) 6.919 12.397 ( 1.003 -2.929 -4.878) 5.778 13.116 ( -0.163 -2.316 4.110) 4.720 13.177 ( 2.929 -2.854 -1.843) 4.486 13.973 ( -0.650 3.499 0.644) 3.617 14.119 ( -2.487 1.410 -1.736) 3.345 14.235 ( -0.324 -0.721 2.349) 2.479 14.410 ( -0.514 -3.277 -1.449) 3.620 14.555 ( 0.865 5.833 -1.159) 6.010 14.757 ( -4.069 2.080 -0.993) 4.676 15.123 ( 2.327 0.042 9.376) 9.661 15.464 ( -0.213 -6.701 1.220) 6.814 16.120 ( 1.480 2.290 0.545) 2.781 16.332 ( 3.574 -1.469 -5.630) 6.828 16.508 ( -2.886 -1.290 0.665) 3.231 16.612 ( -3.145 -2.647 -1.891) 4.525 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 1.470 9.302 2.216) 9.675 1.030 ( 0.848 5.204 -2.553) 5.858 1.120 ( 2.682 5.990 4.403) 7.903 1.182 ( 0.234 -1.459 0.940) 1.751 1.205 ( 1.961 -0.554 -0.093) 2.040 1.232 ( -2.404 -1.398 -1.972) 3.409 1.346 ( -0.892 -3.735 2.698) 4.693 1.353 ( -0.668 -3.217 1.610) 3.659 1.542 ( -1.284 0.895 -1.762) 2.357 1.552 ( -0.596 -0.026 -2.477) 2.547 1.633 ( 0.316 0.442 1.155) 1.276 1.652 ( 0.510 -1.256 -0.719) 1.534 1.702 ( -1.833 4.144 2.577) 5.213 1.744 ( 0.800 2.307 -0.681) 2.535 1.801 ( -0.403 0.017 1.261) 1.324 1.826 ( 1.521 -1.420 -0.311) 2.104 2.125 ( 1.536 0.745 0.447) 1.764 2.149 ( -1.783 -1.505 -1.947) 3.039 2.236 ( -2.823 3.707 1.816) 5.001 2.294 ( 0.046 2.106 -1.938) 2.862 2.320 ( 0.911 -4.376 0.223) 4.475 2.357 ( 0.931 -3.488 -1.837) 4.051 2.491 ( 3.551 2.952 1.669) 4.910 2.536 ( -6.724 3.098 0.466) 7.418 2.545 ( -4.714 -3.518 -1.173) 5.998 2.597 ( 6.317 -0.110 -3.166) 7.066 2.675 ( -0.026 -1.352 1.410) 1.954 2.729 ( 3.380 -4.579 -3.263) 6.561 2.972 ( 1.709 5.673 2.046) 6.268 2.981 ( -1.425 2.599 -0.215) 2.972 3.022 ( -3.861 0.108 2.258) 4.474 3.094 ( 1.182 -1.319 -1.373) 2.241 3.274 ( 0.964 0.272 0.654) 1.196 3.318 ( -2.634 -0.707 -1.401) 3.066 3.393 ( 0.060 -2.255 0.646) 2.346 3.411 ( 4.787 -4.002 0.018) 6.240 3.485 ( -0.357 0.700 -0.084) 0.790 3.495 ( -2.039 -0.496 -0.715) 2.217 3.658 ( 0.158 1.009 1.216) 1.588 3.678 ( -1.191 -0.303 -0.593) 1.365 3.859 ( 0.464 0.022 1.494) 1.564 3.871 ( -1.425 -1.034 0.480) 1.825 3.946 ( -1.057 1.426 0.293) 1.799 3.964 ( -0.981 -0.300 -1.582) 1.885 4.149 ( -0.474 0.573 1.635) 1.796 4.168 ( 0.688 -1.392 0.027) 1.553 4.316 ( 2.745 1.662 0.656) 3.275 4.340 ( 2.488 -0.702 -0.783) 2.701 4.405 ( -0.314 0.823 -1.588) 1.816 4.417 ( -1.992 -0.213 -2.655) 3.326 4.623 ( 0.998 -0.801 2.120) 2.477 4.636 ( -2.222 -1.702 0.857) 2.928 4.787 ( -0.605 0.811 0.933) 1.376 4.809 ( 1.916 -1.465 -1.220) 2.703 5.015 ( -0.304 0.604 -0.075) 0.680 5.019 ( 0.686 0.304 -0.376) 0.840 5.599 ( -1.394 4.511 2.499) 5.342 5.642 ( 0.995 3.883 -1.372) 4.237 5.705 ( -0.509 -1.103 3.622) 3.820 5.779 ( 1.121 -4.767 -2.994) 5.740 7.499 ( -0.274 0.908 -0.146) 0.960 7.504 ( 0.678 0.376 -0.563) 0.958 7.907 ( -1.688 3.095 3.796) 5.180 7.961 ( 1.027 -2.132 -1.054) 2.591 8.920 ( 8.057 5.763 -1.313) 9.992 8.942 ( -8.220 3.996 -3.459) 9.772 9.011 ( -9.082 -2.802 -0.450) 9.515 9.022 ( 9.013 -3.979 -1.302) 9.938 12.266 ( -0.494 2.360 2.991) 3.842 12.315 ( 0.547 -2.281 -1.490) 2.779 13.107 ( -0.734 -0.046 1.080) 1.306 13.134 ( 1.015 -2.524 -1.388) 3.054 14.069 ( 1.302 2.736 1.353) 3.318 14.097 ( -0.655 0.667 -1.259) 1.568 14.247 ( 0.214 0.102 1.293) 1.315 14.284 ( -1.456 -2.871 -2.218) 3.909 14.707 ( 3.020 2.558 -0.001) 3.958 14.720 ( -2.083 1.309 -1.143) 2.712 15.250 ( 0.573 0.277 6.567) 6.598 15.305 ( -1.259 -4.815 1.356) 5.158 16.195 ( -0.054 2.392 -0.257) 2.406 16.245 ( 0.981 -2.419 -4.752) 5.422 16.519 ( 0.010 0.614 0.836) 1.037 16.533 ( -0.873 -0.652 -0.409) 1.163 ======================= Grid point 120 (67/72) ======================= q-point: ( 0.14 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.780 5.926 -2.855) 6.624 1.027 ( 1.866 6.390 -1.012) 6.733 1.079 ( -5.269 4.298 -3.949) 7.863 1.155 ( -2.596 4.603 1.216) 5.423 1.197 ( -1.320 -0.991 -1.591) 2.292 1.245 ( 0.498 -2.684 0.649) 2.806 1.322 ( -2.691 -3.732 1.184) 4.751 1.355 ( -2.484 -5.531 0.288) 6.070 1.499 ( -2.397 1.534 1.813) 3.375 1.524 ( -0.221 -0.865 2.036) 2.223 1.655 ( 1.216 1.275 -0.508) 1.833 1.668 ( 1.134 0.279 -0.300) 1.206 1.705 ( -0.643 2.373 1.013) 2.659 1.752 ( -0.012 -0.033 0.777) 0.778 1.803 ( 0.953 1.203 -1.424) 2.094 1.845 ( 0.949 -0.673 -0.983) 1.523 2.106 ( -0.804 1.601 -0.889) 2.000 2.155 ( -0.658 -3.358 1.449) 3.717 2.213 ( -2.997 3.223 3.109) 5.388 2.280 ( 0.582 3.038 -0.213) 3.101 2.302 ( -4.108 -4.790 1.528) 6.493 2.354 ( 0.034 -3.461 -2.750) 4.421 2.441 ( -3.269 1.222 0.832) 3.588 2.457 ( -1.124 0.087 -1.681) 2.024 2.609 ( 4.917 0.617 2.322) 5.473 2.671 ( -0.775 -2.416 -0.025) 2.537 2.703 ( 6.667 -0.157 -1.492) 6.834 2.747 ( 4.019 -2.154 -1.983) 4.972 2.952 ( -2.282 2.922 -0.343) 3.723 2.966 ( -3.247 0.933 1.085) 3.548 3.039 ( 1.091 6.675 2.895) 7.357 3.122 ( 2.817 -1.585 -0.845) 3.341 3.237 ( -4.130 -1.005 -2.458) 4.910 3.276 ( -3.708 -5.171 3.153) 7.102 3.361 ( 0.126 2.836 -1.486) 3.204 3.438 ( -0.482 -2.870 -2.459) 3.810 3.501 ( 2.874 -0.050 1.217) 3.121 3.534 ( 3.883 -2.013 0.647) 4.421 3.649 ( -1.124 1.810 0.568) 2.205 3.677 ( 0.194 -0.909 1.883) 2.100 3.869 ( -0.341 1.907 -1.209) 2.284 3.908 ( 2.063 -0.460 1.299) 2.481 3.917 ( -0.172 1.120 1.070) 1.559 3.968 ( -0.052 -2.347 2.445) 3.390 4.159 ( 0.143 1.310 0.993) 1.650 4.191 ( 1.665 -1.768 0.270) 2.443 4.280 ( -3.555 1.052 -3.623) 5.184 4.305 ( -1.620 -1.467 -4.470) 4.976 4.413 ( 1.564 2.271 0.914) 2.905 4.444 ( 2.808 -0.609 1.433) 3.211 4.576 ( -4.218 0.657 0.004) 4.269 4.624 ( -2.442 -3.417 1.056) 4.331 4.812 ( 2.160 2.331 0.309) 3.193 4.856 ( 3.687 -2.012 -1.057) 4.331 5.020 ( 1.340 1.018 -0.566) 1.776 5.037 ( 2.074 -0.678 -0.583) 2.258 5.558 ( -5.025 5.299 1.086) 7.383 5.645 ( -0.860 0.455 0.275) 1.011 5.670 ( -4.374 0.853 -0.207) 4.461 5.756 ( -0.795 -3.997 -1.585) 4.373 7.508 ( 2.183 2.169 -0.178) 3.083 7.546 ( 3.980 -1.353 -0.515) 4.235 7.913 ( -1.664 3.589 2.357) 4.605 7.974 ( 1.964 -2.270 -1.557) 3.381 8.729 ( -11.238 5.086 -0.296) 12.339 8.819 ( -11.393 -3.498 0.784) 11.943 9.076 ( 6.916 4.346 1.015) 8.231 9.153 ( 6.728 -3.053 -0.620) 7.414 12.300 ( 0.952 0.949 2.137) 2.525 12.318 ( 2.270 -0.694 -2.384) 3.364 13.095 ( -2.034 0.207 1.050) 2.298 13.127 ( -0.000 -2.828 -1.582) 3.241 14.065 ( -0.717 2.889 -1.250) 3.228 14.099 ( 0.505 -0.177 0.522) 0.748 14.270 ( 1.599 0.063 -0.610) 1.713 14.300 ( 2.499 -2.564 2.196) 4.200 14.657 ( -2.826 4.674 -0.633) 5.498 14.735 ( 0.365 -2.482 0.076) 2.510 15.275 ( 0.178 2.852 -0.549) 2.910 15.360 ( 3.723 -4.632 0.579) 5.971 16.170 ( -2.087 2.281 -0.049) 3.092 16.220 ( -0.447 -2.544 -0.991) 2.766 16.520 ( 0.007 0.652 0.178) 0.675 16.540 ( 0.592 -1.292 1.091) 1.792 ======================= Grid point 121 (68/72) ======================= q-point: ( 0.29 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -3.001 3.686 -3.240) 5.753 0.979 ( -0.192 1.212 -2.973) 3.216 1.047 ( 1.343 5.244 -0.792) 5.471 1.142 ( -0.807 -2.243 -0.951) 2.567 1.152 ( -0.467 4.666 1.440) 4.905 1.228 ( -2.230 -2.153 -0.576) 3.153 1.288 ( -2.581 -2.003 -0.372) 3.288 1.306 ( -2.425 -4.346 1.933) 5.339 1.486 ( -2.068 3.520 1.167) 4.246 1.555 ( 0.450 -1.786 0.794) 2.005 1.640 ( -1.484 2.887 -2.176) 3.908 1.678 ( -0.009 0.272 -0.284) 0.394 1.702 ( -0.206 1.063 0.548) 1.214 1.755 ( -0.918 -3.277 0.993) 3.545 1.807 ( 1.837 1.833 -2.170) 3.382 1.828 ( -0.829 0.534 -1.855) 2.101 2.104 ( 0.056 1.754 0.641) 1.868 2.137 ( -2.026 -0.109 1.427) 2.481 2.192 ( -2.917 0.442 2.103) 3.623 2.232 ( -5.169 -4.563 1.212) 7.001 2.298 ( -1.163 -1.284 -1.076) 2.039 2.312 ( 0.980 -2.287 1.737) 3.034 2.445 ( 0.375 1.474 1.254) 1.972 2.463 ( 3.475 -0.514 -1.626) 3.871 2.615 ( -0.423 -0.408 -3.720) 3.766 2.645 ( -1.056 -2.427 -1.741) 3.169 2.838 ( 2.277 4.116 3.095) 5.631 2.860 ( 6.210 2.141 0.269) 6.574 2.892 ( -0.754 -1.198 -0.853) 1.653 2.925 ( -0.720 1.439 1.730) 2.363 3.054 ( -2.902 2.282 0.945) 3.811 3.108 ( -3.294 -4.231 -1.370) 5.534 3.171 ( -0.574 2.610 0.301) 2.689 3.257 ( -0.970 -4.106 3.295) 5.353 3.391 ( 3.200 2.751 0.222) 4.225 3.420 ( 0.675 0.467 -2.169) 2.319 3.555 ( 2.388 0.095 0.280) 2.406 3.595 ( 2.221 -3.178 0.593) 3.923 3.674 ( 2.227 3.628 2.705) 5.044 3.737 ( 3.576 -2.193 3.009) 5.163 3.817 ( -2.812 3.940 -1.108) 4.966 3.911 ( -0.671 -4.329 -1.213) 4.546 3.966 ( 1.761 2.494 1.683) 3.486 4.003 ( -0.195 -1.211 2.499) 2.784 4.125 ( -2.780 1.944 -3.665) 4.993 4.184 ( -4.542 -2.659 -1.313) 5.424 4.233 ( 3.194 0.238 -0.503) 3.242 4.271 ( 1.324 -2.436 0.524) 2.822 4.427 ( -0.530 2.902 -0.245) 2.960 4.482 ( -0.158 -2.580 -0.797) 2.705 4.525 ( -0.850 2.064 0.870) 2.396 4.586 ( -2.341 -3.604 0.260) 4.305 4.849 ( 1.333 3.360 0.976) 3.744 4.898 ( 1.883 -1.267 0.032) 2.269 5.042 ( 1.993 1.182 -1.303) 2.658 5.066 ( 2.488 -0.868 -2.477) 3.616 5.472 ( -4.806 4.457 0.496) 6.573 5.562 ( -5.945 -3.382 0.181) 6.842 5.647 ( 0.016 3.236 -0.567) 3.286 5.717 ( -1.658 -3.149 -1.203) 3.756 7.568 ( 4.298 2.149 0.412) 4.823 7.616 ( 4.590 -2.396 -0.699) 5.224 7.895 ( -2.392 4.644 0.434) 5.242 7.976 ( 0.606 -3.087 -3.284) 4.548 8.572 ( -7.552 4.636 2.429) 9.188 8.652 ( -9.821 -3.015 3.117) 10.736 9.179 ( 3.176 3.149 1.747) 4.801 9.234 ( 3.431 -2.170 -0.635) 4.109 12.331 ( 1.707 0.591 -0.914) 2.024 12.340 ( 2.045 -0.194 -1.001) 2.285 13.059 ( -2.957 0.624 0.489) 3.061 13.099 ( -0.816 -3.157 -2.258) 3.967 14.058 ( 0.580 3.034 0.432) 3.119 14.111 ( 0.498 -2.044 0.988) 2.324 14.288 ( 0.500 1.781 -1.201) 2.205 14.336 ( -0.152 -2.877 -0.456) 2.917 14.658 ( 1.686 6.040 3.918) 7.394 14.775 ( 3.064 -4.962 4.200) 7.187 15.256 ( 0.514 6.833 -5.223) 8.615 15.386 ( 1.232 -5.311 -4.151) 6.852 16.144 ( -0.968 2.445 0.533) 2.683 16.198 ( -2.412 -2.568 1.506) 3.832 16.530 ( 0.771 0.099 0.347) 0.851 16.561 ( 0.182 -2.654 1.137) 2.893 ======================= Grid point 122 (69/72) ======================= q-point: ( 0.43 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 2.195 1.357 -0.335) 2.602 0.956 ( 0.200 -1.328 -1.066) 1.715 1.062 ( 0.887 2.015 0.047) 2.202 1.126 ( -1.516 -2.953 -0.951) 3.453 1.171 ( 1.306 0.687 0.235) 1.495 1.191 ( -0.090 -1.054 -0.274) 1.093 1.268 ( -0.260 1.404 1.578) 2.128 1.296 ( -1.084 -1.463 1.470) 2.340 1.441 ( -3.538 5.327 0.895) 6.457 1.531 ( -1.846 -0.086 -2.908) 3.445 1.591 ( -1.410 0.646 -0.634) 1.676 1.643 ( -1.522 -2.048 -2.478) 3.557 1.717 ( 0.871 1.982 0.688) 2.271 1.745 ( -0.413 -0.371 -0.463) 0.723 1.798 ( -0.946 1.239 0.000) 1.559 1.813 ( 0.651 -0.002 -1.137) 1.310 2.101 ( -0.849 -0.648 1.194) 1.601 2.143 ( 0.988 -0.690 0.102) 1.210 2.157 ( -2.602 -2.909 -0.275) 3.913 2.172 ( -0.631 -0.885 -0.042) 1.088 2.311 ( 0.369 -0.751 2.288) 2.436 2.340 ( 0.118 -3.602 1.529) 3.914 2.466 ( 1.374 2.780 -0.237) 3.110 2.502 ( 1.897 -1.300 -1.753) 2.891 2.579 ( 0.978 0.629 -2.066) 2.371 2.624 ( 0.401 -2.661 -0.794) 2.805 2.782 ( -4.582 2.260 0.105) 5.110 2.801 ( -3.526 -0.155 -1.476) 3.826 2.967 ( -3.591 3.218 1.943) 5.199 2.989 ( 1.453 1.339 -1.260) 2.344 3.030 ( 3.196 0.954 1.752) 3.768 3.078 ( 1.520 -2.712 0.134) 3.112 3.195 ( 0.761 4.502 2.816) 5.365 3.287 ( -0.247 -1.421 2.326) 2.737 3.405 ( -0.177 0.991 -0.735) 1.246 3.450 ( 3.819 -0.467 -1.506) 4.132 3.590 ( 0.777 1.012 1.484) 1.957 3.640 ( 1.080 -2.885 1.889) 3.614 3.738 ( -0.091 3.052 -1.650) 3.470 3.782 ( 1.912 5.824 4.526) 7.619 3.810 ( -0.435 -3.169 -1.011) 3.355 3.897 ( 0.259 -3.347 0.916) 3.480 4.003 ( 1.283 0.517 0.705) 1.552 4.007 ( -0.691 -0.782 1.331) 1.692 4.043 ( -1.581 0.801 -3.230) 3.684 4.100 ( -2.814 -3.301 -1.656) 4.643 4.269 ( 1.247 0.647 -0.725) 1.581 4.288 ( -1.621 -0.948 1.058) 2.155 4.432 ( 1.976 1.456 1.092) 2.687 4.474 ( 1.586 -2.007 -0.373) 2.585 4.522 ( -0.746 -0.013 -0.816) 1.105 4.547 ( -2.265 -2.511 -0.896) 3.498 4.884 ( 0.630 3.503 2.298) 4.237 4.922 ( -0.051 0.076 1.265) 1.268 5.044 ( 0.266 1.411 -2.223) 2.646 5.062 ( 1.203 0.241 -3.392) 3.607 5.432 ( -0.858 1.037 1.129) 1.757 5.479 ( -3.372 -2.707 -0.007) 4.324 5.645 ( 0.070 1.736 0.168) 1.745 5.683 ( -0.265 -1.618 -1.717) 2.374 7.654 ( 3.713 1.008 1.473) 4.119 7.684 ( 3.688 -1.748 -0.423) 4.104 7.841 ( -3.146 4.054 -0.424) 5.149 7.911 ( -2.667 -2.788 -4.532) 5.952 8.533 ( -0.403 2.404 2.748) 3.673 8.561 ( -4.737 -0.334 3.366) 5.821 9.228 ( 0.668 1.998 1.405) 2.532 9.263 ( 1.208 -1.392 -1.138) 2.166 12.339 ( -0.762 1.056 0.368) 1.353 12.356 ( 2.106 -0.412 -2.375) 3.200 13.016 ( -2.120 0.675 0.489) 2.278 13.057 ( -0.350 -3.184 -2.850) 4.288 14.095 ( 1.792 2.140 2.193) 3.550 14.140 ( 0.538 -2.278 1.941) 3.040 14.258 ( -1.046 1.954 -2.142) 3.082 14.299 ( -1.505 -2.225 -2.654) 3.776 14.784 ( 3.862 7.562 8.632) 12.108 14.926 ( 4.888 -5.938 8.751) 11.650 15.164 ( -2.659 8.052 -8.247) 11.829 15.311 ( -2.002 -5.632 -8.239) 10.178 16.151 ( 0.776 1.288 0.759) 1.684 16.174 ( -1.437 -0.806 0.839) 1.849 16.549 ( 0.402 -1.318 0.890) 1.640 16.567 ( -0.323 -3.015 0.413) 3.060 ======================= Grid point 123 (70/72) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.287 2.216 -0.864) 2.705 0.969 ( 1.670 -0.760 -2.137) 2.817 1.077 ( -0.965 0.154 -0.769) 1.244 1.101 ( 2.215 -2.532 0.722) 3.440 1.177 ( -1.300 -1.057 -0.332) 1.707 1.186 ( -0.582 -1.458 -0.304) 1.599 1.297 ( 0.519 1.240 0.147) 1.353 1.302 ( 1.492 0.568 0.857) 1.812 1.440 ( 0.450 3.918 3.905) 5.550 1.479 ( 1.134 2.370 -1.784) 3.176 1.585 ( -0.331 -1.100 1.309) 1.741 1.605 ( 0.359 -1.451 -0.693) 1.648 1.726 ( -0.478 2.110 -0.230) 2.176 1.745 ( 1.301 0.483 -0.341) 1.429 1.790 ( -1.147 0.586 0.762) 1.496 1.807 ( -0.118 -0.771 -0.570) 0.966 2.106 ( -0.342 -0.788 1.166) 1.449 2.145 ( 2.691 -4.159 -0.264) 4.961 2.161 ( 0.872 0.978 -0.513) 1.407 2.188 ( 3.008 -1.182 -1.466) 3.549 2.331 ( -0.921 -0.967 1.421) 1.950 2.349 ( 0.520 -2.788 0.203) 2.844 2.473 ( -0.682 0.612 -2.398) 2.568 2.497 ( 2.526 -1.345 -2.043) 3.517 2.586 ( -1.711 2.034 -0.072) 2.659 2.613 ( 0.233 -0.377 -0.726) 0.851 2.754 ( 0.386 1.166 2.411) 2.706 2.779 ( 2.032 -0.094 0.455) 2.085 2.911 ( -5.548 3.522 4.811) 8.144 2.989 ( -0.973 -1.991 1.018) 2.439 3.082 ( 1.551 0.546 -1.098) 1.977 3.090 ( 1.391 0.225 -3.190) 3.487 3.239 ( -0.724 4.837 1.978) 5.276 3.289 ( 2.502 4.555 -2.175) 5.634 3.394 ( -3.087 -1.872 2.279) 4.269 3.471 ( 1.805 -5.382 -3.680) 6.765 3.614 ( -2.515 1.935 0.751) 3.261 3.628 ( -1.367 1.699 1.608) 2.710 3.731 ( -3.678 -1.439 -0.819) 4.034 3.764 ( 1.603 -3.493 2.721) 4.709 3.857 ( -1.873 4.007 -0.144) 4.426 3.892 ( 1.463 2.672 -0.070) 3.047 3.994 ( -1.349 0.139 1.182) 1.799 4.010 ( -0.084 -0.575 -0.525) 0.783 4.027 ( -1.297 -1.270 0.392) 1.857 4.083 ( 2.735 -5.222 -1.005) 5.980 4.269 ( 0.226 2.261 -0.131) 2.276 4.299 ( 3.377 -0.624 0.080) 3.435 4.477 ( -1.960 -0.466 -1.455) 2.485 4.481 ( -1.823 -1.339 -2.047) 3.051 4.497 ( 1.652 -0.013 1.035) 1.950 4.528 ( 3.230 -2.384 0.381) 4.033 4.905 ( -2.260 2.882 2.146) 4.245 4.917 ( -1.372 1.546 1.007) 2.299 5.026 ( -0.013 0.981 -0.747) 1.233 5.040 ( 0.136 -0.034 -2.230) 2.234 5.435 ( -0.574 0.861 1.130) 1.532 5.472 ( 2.516 -2.347 0.259) 3.450 5.648 ( -0.107 1.447 0.147) 1.458 5.682 ( 2.501 -1.678 -1.774) 3.495 7.665 ( -3.828 1.584 0.251) 4.150 7.703 ( -2.154 -2.106 -1.487) 3.359 7.837 ( 2.080 0.752 1.027) 2.438 7.843 ( 0.633 0.112 0.022) 0.643 8.556 ( 1.505 3.120 0.713) 3.537 8.599 ( 5.626 -0.941 0.124) 5.706 9.241 ( -0.489 1.144 0.848) 1.506 9.259 ( 0.069 -0.621 -1.414) 1.546 12.313 ( -2.953 2.537 1.228) 4.082 12.361 ( 0.741 -1.960 -1.441) 2.543 13.009 ( 0.281 0.377 1.321) 1.402 13.043 ( 2.068 -2.737 -1.966) 3.954 14.135 ( -2.006 1.340 -1.072) 2.639 14.153 ( 1.539 -0.233 1.710) 2.313 14.241 ( -1.667 -0.369 -1.642) 2.369 14.252 ( 1.475 -1.203 1.255) 2.280 14.938 ( 0.312 7.530 7.933) 10.942 14.984 ( -3.382 8.657 -7.884) 12.188 15.085 ( -3.507 -4.487 5.872) 8.181 15.177 ( 0.816 -7.727 -4.985) 9.232 16.159 ( 0.157 2.233 -0.001) 2.238 16.198 ( 3.809 -1.327 -1.191) 4.206 16.549 ( -1.562 -1.353 0.900) 2.254 16.571 ( 0.501 -3.299 0.106) 3.339 ======================= Grid point 124 (71/72) ======================= q-point: (-0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.997 5.908 -0.013) 5.991 0.947 ( -1.183 3.421 -0.302) 3.632 1.058 ( -0.627 0.961 -1.780) 2.118 1.123 ( -0.193 -1.861 0.593) 1.963 1.156 ( 0.345 -0.320 0.456) 0.655 1.208 ( 2.101 -2.932 1.339) 3.848 1.304 ( 1.755 0.184 -1.451) 2.284 1.336 ( 1.874 -2.763 -0.351) 3.357 1.484 ( 1.670 3.586 1.297) 4.163 1.537 ( 1.897 0.183 1.756) 2.591 1.599 ( 1.512 2.277 1.442) 3.090 1.648 ( 1.636 -1.194 2.144) 2.949 1.718 ( 0.180 2.181 -0.806) 2.332 1.763 ( -1.911 -0.104 1.662) 2.535 1.772 ( 0.767 -0.851 -0.002) 1.145 1.795 ( -0.907 -1.205 0.334) 1.545 2.126 ( 1.594 2.795 -0.814) 3.319 2.164 ( 1.624 0.191 -1.106) 1.974 2.217 ( 3.492 -2.329 0.392) 4.215 2.241 ( 4.773 -3.288 -0.716) 5.840 2.310 ( -0.985 1.640 -0.658) 2.023 2.350 ( -0.339 -3.831 -1.270) 4.050 2.444 ( -0.372 2.261 -1.084) 2.535 2.493 ( 0.407 -2.269 -3.262) 3.994 2.574 ( 2.142 1.662 -0.379) 2.737 2.618 ( 0.298 -1.524 1.202) 1.964 2.801 ( -1.956 2.378 3.600) 4.737 2.843 ( 1.211 6.872 2.557) 7.432 2.873 ( -4.011 -3.903 2.271) 6.040 2.970 ( -0.147 -1.879 -1.220) 2.246 3.056 ( -0.148 0.776 0.160) 0.805 3.104 ( 1.835 -2.025 -1.601) 3.167 3.211 ( -0.122 4.994 -2.388) 5.537 3.313 ( -1.313 -3.864 -1.392) 4.312 3.362 ( 0.137 4.200 1.389) 4.426 3.446 ( 0.194 -4.703 -3.742) 6.013 3.555 ( -3.591 1.212 0.303) 3.802 3.594 ( -3.551 -2.082 0.926) 4.219 3.700 ( -2.414 3.127 0.589) 3.994 3.772 ( -3.083 -1.803 -0.143) 3.574 3.823 ( 1.193 2.324 -0.892) 2.760 3.894 ( -0.801 -2.548 0.617) 2.741 3.982 ( -0.761 3.932 -0.016) 4.005 4.031 ( 0.888 -1.057 0.480) 1.461 4.039 ( 1.641 1.353 2.187) 3.051 4.116 ( 0.580 -4.666 2.472) 5.312 4.274 ( 1.079 3.483 -2.667) 4.517 4.345 ( 1.380 -3.362 -3.544) 5.076 4.432 ( 0.419 0.348 -1.247) 1.361 4.455 ( 0.648 -2.013 1.079) 2.374 4.532 ( 0.944 1.494 0.251) 1.785 4.580 ( 1.986 -3.020 0.697) 3.681 4.860 ( -3.611 2.649 0.594) 4.517 4.889 ( -3.347 -0.210 0.840) 3.458 5.022 ( -0.305 0.925 0.151) 0.986 5.032 ( -0.145 0.065 0.224) 0.275 5.467 ( 3.217 3.851 0.965) 5.110 5.540 ( 3.943 -2.635 1.600) 5.004 5.648 ( 0.304 2.896 -0.429) 2.943 5.720 ( 3.591 -3.893 -1.339) 5.463 7.583 ( -4.437 1.549 -0.744) 4.758 7.617 ( -4.549 -1.771 -0.922) 4.968 7.868 ( 0.151 2.707 2.841) 3.927 7.912 ( 2.437 -1.730 1.933) 3.559 8.626 ( 7.482 5.289 -2.129) 9.407 8.718 ( 9.316 -3.444 -2.371) 10.211 9.221 ( -1.964 0.764 -1.551) 2.617 9.231 ( -2.134 -0.154 -0.680) 2.245 12.276 ( -3.308 3.595 2.376) 5.432 12.350 ( -0.680 -3.491 -0.518) 3.594 13.047 ( 1.859 0.382 1.625) 2.499 13.079 ( 3.222 -2.526 -0.721) 4.157 14.079 ( -2.091 3.178 -1.430) 4.064 14.142 ( -1.394 -2.899 -1.815) 3.694 14.247 ( 0.426 2.818 2.461) 3.766 14.308 ( 2.247 -3.149 1.875) 4.299 14.782 ( -5.212 7.126 -7.586) 11.640 14.892 ( -6.798 -2.666 -5.981) 9.439 15.099 ( -0.483 6.453 8.958) 11.050 15.260 ( 0.670 -8.236 7.003) 10.831 16.169 ( 1.967 3.994 -1.652) 4.749 16.251 ( 4.307 -3.458 -2.894) 6.236 16.528 ( -1.492 0.519 0.583) 1.684 16.575 ( -0.257 -3.638 -0.086) 3.648 ======================= Grid point 125 (72/72) ======================= q-point: (-0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.440 7.375 2.781) 7.894 0.992 ( 5.087 5.692 3.169) 8.265 1.037 ( 0.346 2.819 -1.117) 3.052 1.139 ( 0.906 -1.877 1.682) 2.679 1.183 ( 1.413 1.954 0.639) 2.495 1.252 ( 1.132 -2.909 0.488) 3.159 1.325 ( 1.278 -1.574 -0.102) 2.030 1.354 ( 0.292 -3.092 -0.122) 3.108 1.532 ( 3.335 1.505 -0.819) 3.749 1.556 ( 0.647 -0.740 -0.501) 1.103 1.634 ( -0.503 3.134 1.119) 3.365 1.670 ( -0.743 -0.838 0.145) 1.130 1.711 ( -0.779 3.040 0.562) 3.189 1.742 ( -1.164 1.657 1.164) 2.335 1.790 ( -0.628 -0.664 1.515) 1.769 1.803 ( 1.471 -3.164 0.295) 3.502 2.118 ( -0.083 3.733 -1.339) 3.967 2.185 ( 0.552 -1.835 -1.058) 2.189 2.259 ( 0.229 2.429 -0.708) 2.541 2.282 ( -0.000 -1.461 3.019) 3.354 2.322 ( 1.702 -2.889 -3.912) 5.152 2.339 ( 2.796 -1.991 -1.016) 3.580 2.444 ( 2.000 2.210 -0.881) 3.109 2.486 ( 4.500 -1.816 -3.532) 6.002 2.622 ( 1.587 1.123 0.802) 2.102 2.644 ( -0.866 0.603 2.116) 2.364 2.721 ( -8.913 -0.866 -1.765) 9.127 2.735 ( -4.324 -2.760 -0.899) 5.208 2.914 ( 1.570 5.768 2.635) 6.533 2.994 ( 2.177 0.934 -1.353) 2.728 3.073 ( -1.602 -0.873 -0.775) 1.982 3.096 ( -1.549 -3.755 2.325) 4.680 3.226 ( 4.148 3.599 -1.441) 5.678 3.303 ( 2.534 -1.284 1.075) 3.038 3.374 ( -0.405 -1.922 -0.662) 2.073 3.404 ( -0.831 -3.530 -1.927) 4.107 3.511 ( -1.878 1.708 0.217) 2.547 3.545 ( -3.056 -0.905 0.083) 3.189 3.658 ( -1.326 2.005 -0.184) 2.411 3.709 ( -2.256 -1.962 -0.889) 3.119 3.847 ( 0.571 1.924 0.917) 2.206 3.893 ( -1.220 -2.141 1.143) 2.716 3.958 ( -0.752 3.886 -1.346) 4.181 4.016 ( -1.497 -1.672 -1.810) 2.883 4.112 ( 1.285 1.931 4.482) 5.047 4.155 ( -0.506 -2.233 3.118) 3.868 4.274 ( 3.074 0.736 -2.185) 3.842 4.303 ( 1.325 -1.957 -3.979) 4.628 4.432 ( -0.182 1.324 -1.056) 1.703 4.474 ( -0.873 -2.567 -0.909) 2.860 4.561 ( 2.670 2.397 1.266) 3.805 4.622 ( 1.710 -3.243 1.154) 3.844 4.809 ( -2.998 1.531 0.904) 3.485 4.835 ( -3.236 -1.086 0.327) 3.429 5.017 ( -0.079 0.942 -0.266) 0.982 5.027 ( -0.828 -0.034 0.325) 0.890 5.550 ( 3.582 4.768 1.827) 6.237 5.632 ( 2.908 -2.796 3.096) 5.085 5.648 ( 0.858 5.463 -0.871) 5.598 5.766 ( 3.185 -5.658 -1.659) 6.701 7.515 ( -2.121 1.595 -0.694) 2.743 7.542 ( -3.324 -0.956 -0.219) 3.465 7.893 ( -1.372 3.360 3.748) 5.218 7.952 ( 0.787 -2.423 0.421) 2.582 8.760 ( 10.753 5.908 -2.776) 12.579 8.865 ( 10.740 -4.177 -2.731) 11.843 9.124 ( -6.236 1.946 -3.375) 7.353 9.157 ( -5.743 -1.165 -1.076) 5.958 12.257 ( -2.279 3.461 3.097) 5.173 12.330 ( -0.780 -3.564 -0.660) 3.707 13.092 ( 1.019 0.128 1.393) 1.731 13.120 ( 2.267 -2.394 -1.002) 3.446 14.048 ( -0.473 3.644 0.349) 3.691 14.111 ( -0.371 -2.220 -0.782) 2.383 14.259 ( -1.378 3.027 0.741) 3.407 14.334 ( -0.741 -3.985 -0.948) 4.162 14.676 ( 0.289 5.581 -2.689) 6.202 14.760 ( -2.155 -2.196 -2.497) 3.963 15.174 ( -1.286 5.088 8.076) 9.631 15.312 ( -2.296 -7.770 5.053) 9.549 16.186 ( 2.110 3.986 -1.933) 4.907 16.270 ( 2.449 -4.006 -4.462) 6.478 16.516 ( -0.580 1.566 0.536) 1.754 16.559 ( -1.140 -2.500 -0.542) 2.801 =================== 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 3/20580 10.0 237.011 206.762 170.844 0.000 -0.402 0.000 3/20580 20.0 44.414 40.489 31.035 0.000 -0.384 0.000 3/20580 30.0 17.605 16.339 12.293 0.000 -0.207 0.000 3/20580 40.0 9.738 9.130 6.834 0.000 -0.121 0.000 3/20580 50.0 6.467 6.092 4.557 0.000 -0.080 0.000 3/20580 60.0 4.788 4.519 3.383 0.000 -0.059 0.000 3/20580 70.0 3.798 3.585 2.688 0.000 -0.048 0.000 3/20580 80.0 3.154 2.974 2.234 0.000 -0.040 0.000 3/20580 90.0 2.703 2.545 1.916 0.000 -0.035 0.000 3/20580 100.0 2.371 2.229 1.681 0.000 -0.031 0.000 3/20580 110.0 2.116 1.986 1.500 0.000 -0.029 0.000 3/20580 120.0 1.913 1.793 1.357 0.000 -0.026 0.000 3/20580 130.0 1.748 1.636 1.240 0.000 -0.025 0.000 3/20580 140.0 1.611 1.505 1.143 0.000 -0.023 0.000 3/20580 150.0 1.495 1.395 1.061 0.000 -0.021 0.000 3/20580 160.0 1.395 1.301 0.991 0.000 -0.020 0.000 3/20580 170.0 1.308 1.219 0.930 0.000 -0.019 0.000 3/20580 180.0 1.232 1.148 0.876 0.000 -0.018 0.000 3/20580 190.0 1.165 1.084 0.829 0.000 -0.017 0.000 3/20580 200.0 1.105 1.028 0.786 0.000 -0.016 0.000 3/20580 210.0 1.051 0.977 0.748 0.000 -0.015 0.000 3/20580 220.0 1.002 0.932 0.714 0.000 -0.015 0.000 3/20580 230.0 0.958 0.890 0.683 0.000 -0.014 0.000 3/20580 240.0 0.917 0.852 0.654 0.000 -0.014 0.000 3/20580 250.0 0.880 0.818 0.628 0.000 -0.013 0.000 3/20580 260.0 0.846 0.786 0.604 0.000 -0.012 0.000 3/20580 270.0 0.814 0.757 0.582 0.000 -0.012 0.000 3/20580 280.0 0.785 0.729 0.561 0.000 -0.012 0.000 3/20580 290.0 0.758 0.704 0.542 0.000 -0.011 0.000 3/20580 300.0 0.733 0.680 0.524 0.000 -0.011 0.000 3/20580 310.0 0.709 0.658 0.507 0.000 -0.010 0.000 3/20580 320.0 0.687 0.638 0.492 0.000 -0.010 0.000 3/20580 330.0 0.666 0.618 0.477 0.000 -0.010 0.000 3/20580 340.0 0.646 0.600 0.463 0.000 -0.009 0.000 3/20580 350.0 0.628 0.583 0.450 0.000 -0.009 0.000 3/20580 360.0 0.610 0.567 0.438 0.000 -0.009 0.000 3/20580 370.0 0.594 0.551 0.426 0.000 -0.009 0.000 3/20580 380.0 0.578 0.537 0.415 0.000 -0.008 0.000 3/20580 390.0 0.564 0.523 0.404 0.000 -0.008 0.000 3/20580 400.0 0.550 0.510 0.394 0.000 -0.008 0.000 3/20580 410.0 0.536 0.498 0.385 0.000 -0.008 0.000 3/20580 420.0 0.523 0.486 0.376 0.000 -0.008 0.000 3/20580 430.0 0.511 0.475 0.367 0.000 -0.007 0.000 3/20580 440.0 0.500 0.464 0.359 0.000 -0.007 0.000 3/20580 450.0 0.489 0.453 0.351 0.000 -0.007 0.000 3/20580 460.0 0.478 0.444 0.343 0.000 -0.007 0.000 3/20580 470.0 0.468 0.434 0.336 0.000 -0.007 0.000 3/20580 480.0 0.458 0.425 0.329 0.000 -0.007 0.000 3/20580 490.0 0.449 0.417 0.323 0.000 -0.007 0.000 3/20580 500.0 0.440 0.408 0.316 0.000 -0.006 0.000 3/20580 510.0 0.431 0.400 0.310 0.000 -0.006 0.000 3/20580 520.0 0.423 0.393 0.304 0.000 -0.006 0.000 3/20580 530.0 0.415 0.385 0.298 0.000 -0.006 0.000 3/20580 540.0 0.407 0.378 0.293 0.000 -0.006 0.000 3/20580 550.0 0.400 0.371 0.288 0.000 -0.006 0.000 3/20580 560.0 0.393 0.365 0.283 0.000 -0.006 0.000 3/20580 570.0 0.386 0.358 0.278 0.000 -0.006 0.000 3/20580 580.0 0.379 0.352 0.273 0.000 -0.005 0.000 3/20580 590.0 0.373 0.346 0.268 0.000 -0.005 0.000 3/20580 600.0 0.367 0.340 0.264 0.000 -0.005 0.000 3/20580 610.0 0.361 0.335 0.260 0.000 -0.005 0.000 3/20580 620.0 0.355 0.329 0.255 0.000 -0.005 0.000 3/20580 630.0 0.349 0.324 0.251 0.000 -0.005 0.000 3/20580 640.0 0.344 0.319 0.247 0.000 -0.005 0.000 3/20580 650.0 0.339 0.314 0.244 0.000 -0.005 0.000 3/20580 660.0 0.334 0.310 0.240 0.000 -0.005 0.000 3/20580 670.0 0.329 0.305 0.236 0.000 -0.005 0.000 3/20580 680.0 0.324 0.300 0.233 0.000 -0.005 0.000 3/20580 690.0 0.319 0.296 0.230 0.000 -0.005 0.000 3/20580 700.0 0.315 0.292 0.226 0.000 -0.005 0.000 3/20580 710.0 0.310 0.288 0.223 0.000 -0.004 0.000 3/20580 720.0 0.306 0.284 0.220 0.000 -0.004 0.000 3/20580 730.0 0.302 0.280 0.217 0.000 -0.004 0.000 3/20580 740.0 0.298 0.276 0.214 0.000 -0.004 0.000 3/20580 750.0 0.294 0.273 0.211 0.000 -0.004 0.000 3/20580 760.0 0.290 0.269 0.209 0.000 -0.004 0.000 3/20580 770.0 0.286 0.265 0.206 0.000 -0.004 0.000 3/20580 780.0 0.282 0.262 0.203 0.000 -0.004 0.000 3/20580 790.0 0.279 0.259 0.201 0.000 -0.004 0.000 3/20580 800.0 0.275 0.256 0.198 0.000 -0.004 0.000 3/20580 810.0 0.272 0.252 0.196 0.000 -0.004 0.000 3/20580 820.0 0.269 0.249 0.193 0.000 -0.004 0.000 3/20580 830.0 0.265 0.246 0.191 0.000 -0.004 0.000 3/20580 840.0 0.262 0.243 0.189 0.000 -0.004 0.000 3/20580 850.0 0.259 0.241 0.187 0.000 -0.004 0.000 3/20580 860.0 0.256 0.238 0.185 0.000 -0.004 0.000 3/20580 870.0 0.253 0.235 0.182 0.000 -0.004 0.000 3/20580 880.0 0.250 0.232 0.180 0.000 -0.004 0.000 3/20580 890.0 0.248 0.230 0.178 0.000 -0.004 0.000 3/20580 900.0 0.245 0.227 0.176 0.000 -0.004 0.000 3/20580 910.0 0.242 0.225 0.174 0.000 -0.003 0.000 3/20580 920.0 0.240 0.222 0.173 0.000 -0.003 0.000 3/20580 930.0 0.237 0.220 0.171 0.000 -0.003 0.000 3/20580 940.0 0.234 0.218 0.169 0.000 -0.003 0.000 3/20580 950.0 0.232 0.215 0.167 0.000 -0.003 0.000 3/20580 960.0 0.230 0.213 0.165 0.000 -0.003 0.000 3/20580 970.0 0.227 0.211 0.164 0.000 -0.003 0.000 3/20580 980.0 0.225 0.209 0.162 0.000 -0.003 0.000 3/20580 990.0 0.223 0.207 0.160 0.000 -0.003 0.000 3/20580 1000.0 0.220 0.205 0.159 0.000 -0.003 0.000 3/20580 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:11:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|