----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:51:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.579357420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.364965225000002 2.812172350000000 c 0.000000000000000 -9.364965225000002 2.812172350000000 Atomic positions (fractional): *1 K 0.25000000000000 0.55954092587960 0.92645789201924 39.098 2 K 0.75000000000000 0.92645789201924 0.55954092587960 39.098 *3 Cu 0.75000000000000 0.89234533828455 0.10690267889321 63.546 4 Cu 0.25000000000000 0.10690267889321 0.89234533828455 63.546 *5 Cu 0.50000000000000 0.48265796739822 0.48265796739822 63.546 6 Cu 0.00000000000000 0.48265796739822 0.48265796739822 63.546 *7 Se 0.75000000000000 0.74701780972328 0.75189659503126 78.960 *8 Se 0.51047662333649 0.35401920773098 0.13947763202263 78.960 *9 Se 0.25000000000000 0.96910729204320 0.54185957185473 78.960 10 Se 0.25000000000000 0.75189659503126 0.74701780972328 78.960 11 Se 0.75000000000000 0.54185957185473 0.96910729204320 78.960 12 Se 0.98952337666351 0.35401920773098 0.13947763202263 78.960 13 Se 0.01047662333649 0.13947763202263 0.35401920773098 78.960 14 Se 0.48952337666351 0.13947763202263 0.35401920773098 78.960 *15 Nb 0.75000000000000 0.38895274557613 0.60966961639115 92.906 16 Nb 0.25000000000000 0.60966961639115 0.38895274557613 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.579357420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.729930450000005 0.000000000000000 c 0.000000000000000 0.000000000000000 5.624344700000000 Atomic positions (fractional): *1 K 0.25000000000000 0.81654151693018 0.74299940894942 39.098 > 1 2 K 0.75000000000000 0.68345848306982 0.24299940894942 39.098 > 2 3 K 0.25000000000000 0.31654151693018 0.24299940894942 39.098 > 1 4 K 0.75000000000000 0.18345848306982 0.74299940894942 39.098 > 2 *5 Cu 0.75000000000000 0.89272132969567 0.99962400858888 63.546 > 3 6 Cu 0.25000000000000 0.60727867030433 0.49962400858888 63.546 > 4 *7 Cu 0.50000000000000 0.00000000000000 0.48265796739822 63.546 > 5 8 Cu 0.00000000000000 0.00000000000000 0.48265796739822 63.546 > 6 9 Cu 0.75000000000000 0.39272132969567 0.49962400858888 63.546 > 3 10 Cu 0.25000000000000 0.10727867030433 0.99962400858888 63.546 > 4 11 Cu 0.50000000000000 0.50000000000000 0.98265796739822 63.546 > 5 12 Cu 0.00000000000000 0.50000000000000 0.98265796739822 63.546 > 6 *13 Se 0.75000000000000 0.99756060734601 0.74945720237727 78.960 > 7 *14 Se 0.51047662333649 0.60727078785417 0.74674841987681 78.960 > 8 *15 Se 0.25000000000000 0.71362386009424 0.25548343194897 78.960 > 9 16 Se 0.25000000000000 0.50243939265399 0.24945720237727 78.960 > 10 17 Se 0.75000000000000 0.78637613990576 0.75548343194897 78.960 > 11 18 Se 0.98952337666351 0.60727078785417 0.74674841987681 78.960 > 12 19 Se 0.01047662333649 0.89272921214583 0.24674841987681 78.960 > 13 20 Se 0.48952337666351 0.89272921214583 0.24674841987681 78.960 > 14 21 Se 0.75000000000000 0.49756060734600 0.24945720237727 78.960 > 7 22 Se 0.51047662333649 0.10727078785418 0.24674841987681 78.960 > 8 23 Se 0.25000000000000 0.21362386009424 0.75548343194897 78.960 > 9 24 Se 0.25000000000000 0.00243939265399 0.74945720237727 78.960 > 10 25 Se 0.75000000000000 0.28637613990576 0.25548343194897 78.960 > 11 26 Se 0.98952337666351 0.10727078785418 0.24674841987681 78.960 > 12 27 Se 0.01047662333649 0.39272921214583 0.74674841987681 78.960 > 13 28 Se 0.48952337666351 0.39272921214583 0.74674841987681 78.960 > 14 *29 Nb 0.75000000000000 0.88964156459249 0.49931118098364 92.906 > 15 30 Nb 0.25000000000000 0.61035843540751 0.99931118098364 92.906 > 16 31 Nb 0.75000000000000 0.38964156459249 0.99931118098364 92.906 > 15 32 Nb 0.25000000000000 0.11035843540751 0.49931118098364 92.906 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.158714840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.729930450000005 0.000000000000000 c 0.000000000000000 0.000000000000000 11.248689400000000 Atomic positions (fractional): *1 K 0.12500000000000 0.81654151693018 0.37149970447471 39.098 > 1 2 K 0.62500000000000 0.81654151693018 0.37149970447471 39.098 > 1 3 K 0.12500000000000 0.81654151693018 0.87149970447471 39.098 > 1 4 K 0.62500000000000 0.81654151693018 0.87149970447471 39.098 > 1 5 K 0.37500000000000 0.68345848306982 0.12149970447471 39.098 > 2 6 K 0.87500000000000 0.68345848306982 0.12149970447471 39.098 > 2 7 K 0.37500000000000 0.68345848306982 0.62149970447471 39.098 > 2 8 K 0.87500000000000 0.68345848306982 0.62149970447471 39.098 > 2 9 K 0.12500000000000 0.31654151693018 0.12149970447471 39.098 > 1 10 K 0.62500000000000 0.31654151693018 0.12149970447471 39.098 > 1 11 K 0.12500000000000 0.31654151693018 0.62149970447471 39.098 > 1 12 K 0.62500000000000 0.31654151693018 0.62149970447471 39.098 > 1 13 K 0.37500000000000 0.18345848306982 0.37149970447471 39.098 > 2 14 K 0.87500000000000 0.18345848306982 0.37149970447471 39.098 > 2 15 K 0.37500000000000 0.18345848306982 0.87149970447471 39.098 > 2 16 K 0.87500000000000 0.18345848306982 0.87149970447471 39.098 > 2 *17 Cu 0.37500000000000 0.89272132969567 0.49981200429444 63.546 > 3 18 Cu 0.87500000000000 0.89272132969567 0.49981200429444 63.546 > 3 19 Cu 0.37500000000000 0.89272132969567 0.99981200429444 63.546 > 3 20 Cu 0.87500000000000 0.89272132969567 0.99981200429444 63.546 > 3 21 Cu 0.12500000000000 0.60727867030433 0.24981200429444 63.546 > 4 22 Cu 0.62500000000000 0.60727867030433 0.24981200429444 63.546 > 4 23 Cu 0.12500000000000 0.60727867030433 0.74981200429444 63.546 > 4 24 Cu 0.62500000000000 0.60727867030433 0.74981200429444 63.546 > 4 *25 Cu 0.25000000000000 0.00000000000000 0.24132898369911 63.546 > 5 26 Cu 0.75000000000000 0.00000000000000 0.24132898369911 63.546 > 5 27 Cu 0.25000000000000 0.00000000000000 0.74132898369911 63.546 > 5 28 Cu 0.75000000000000 0.00000000000000 0.74132898369911 63.546 > 5 29 Cu 0.00000000000000 0.00000000000000 0.24132898369911 63.546 > 6 30 Cu 0.50000000000000 0.00000000000000 0.24132898369911 63.546 > 6 31 Cu 0.00000000000000 0.00000000000000 0.74132898369911 63.546 > 6 32 Cu 0.50000000000000 0.00000000000000 0.74132898369911 63.546 > 6 33 Cu 0.37500000000000 0.39272132969567 0.24981200429444 63.546 > 3 34 Cu 0.87500000000000 0.39272132969567 0.24981200429444 63.546 > 3 35 Cu 0.37500000000000 0.39272132969567 0.74981200429444 63.546 > 3 36 Cu 0.87500000000000 0.39272132969567 0.74981200429444 63.546 > 3 37 Cu 0.12500000000000 0.10727867030433 0.49981200429444 63.546 > 4 38 Cu 0.62500000000000 0.10727867030433 0.49981200429444 63.546 > 4 39 Cu 0.12500000000000 0.10727867030433 0.99981200429444 63.546 > 4 40 Cu 0.62500000000000 0.10727867030433 0.99981200429444 63.546 > 4 41 Cu 0.25000000000000 0.50000000000000 0.49132898369911 63.546 > 5 42 Cu 0.75000000000000 0.50000000000000 0.49132898369911 63.546 > 5 43 Cu 0.25000000000000 0.50000000000000 0.99132898369911 63.546 > 5 44 Cu 0.75000000000000 0.50000000000000 0.99132898369911 63.546 > 5 45 Cu 0.00000000000000 0.50000000000000 0.49132898369911 63.546 > 6 46 Cu 0.50000000000000 0.50000000000000 0.49132898369911 63.546 > 6 47 Cu 0.00000000000000 0.50000000000000 0.99132898369911 63.546 > 6 48 Cu 0.50000000000000 0.50000000000000 0.99132898369911 63.546 > 6 *49 Se 0.37500000000000 0.99756060734601 0.37472860118863 78.960 > 7 50 Se 0.87500000000000 0.99756060734601 0.37472860118863 78.960 > 7 51 Se 0.37500000000000 0.99756060734601 0.87472860118864 78.960 > 7 52 Se 0.87500000000000 0.99756060734601 0.87472860118864 78.960 > 7 *53 Se 0.25523831166825 0.60727078785417 0.37337420993840 78.960 > 8 54 Se 0.75523831166825 0.60727078785417 0.37337420993840 78.960 > 8 55 Se 0.25523831166825 0.60727078785417 0.87337420993840 78.960 > 8 56 Se 0.75523831166825 0.60727078785417 0.87337420993840 78.960 > 8 *57 Se 0.12500000000000 0.71362386009424 0.12774171597448 78.960 > 9 58 Se 0.62500000000000 0.71362386009424 0.12774171597448 78.960 > 9 59 Se 0.12500000000000 0.71362386009424 0.62774171597448 78.960 > 9 60 Se 0.62500000000000 0.71362386009424 0.62774171597448 78.960 > 9 61 Se 0.12500000000000 0.50243939265399 0.12472860118864 78.960 > 10 62 Se 0.62500000000000 0.50243939265399 0.12472860118864 78.960 > 10 63 Se 0.12500000000000 0.50243939265399 0.62472860118864 78.960 > 10 64 Se 0.62500000000000 0.50243939265399 0.62472860118864 78.960 > 10 65 Se 0.37500000000000 0.78637613990576 0.37774171597448 78.960 > 11 66 Se 0.87500000000000 0.78637613990576 0.37774171597448 78.960 > 11 67 Se 0.37500000000000 0.78637613990576 0.87774171597448 78.960 > 11 68 Se 0.87500000000000 0.78637613990576 0.87774171597448 78.960 > 11 69 Se 0.49476168833175 0.60727078785417 0.37337420993840 78.960 > 12 70 Se 0.99476168833175 0.60727078785417 0.37337420993840 78.960 > 12 71 Se 0.49476168833175 0.60727078785417 0.87337420993840 78.960 > 12 72 Se 0.99476168833175 0.60727078785417 0.87337420993840 78.960 > 12 73 Se 0.00523831166825 0.89272921214583 0.12337420993841 78.960 > 13 74 Se 0.50523831166825 0.89272921214583 0.12337420993841 78.960 > 13 75 Se 0.00523831166825 0.89272921214583 0.62337420993840 78.960 > 13 76 Se 0.50523831166825 0.89272921214583 0.62337420993840 78.960 > 13 77 Se 0.24476168833175 0.89272921214583 0.12337420993841 78.960 > 14 78 Se 0.74476168833175 0.89272921214583 0.12337420993841 78.960 > 14 79 Se 0.24476168833175 0.89272921214583 0.62337420993840 78.960 > 14 80 Se 0.74476168833175 0.89272921214583 0.62337420993840 78.960 > 14 81 Se 0.37500000000000 0.49756060734600 0.12472860118864 78.960 > 7 82 Se 0.87500000000000 0.49756060734600 0.12472860118864 78.960 > 7 83 Se 0.37500000000000 0.49756060734600 0.62472860118864 78.960 > 7 84 Se 0.87500000000000 0.49756060734600 0.62472860118864 78.960 > 7 85 Se 0.25523831166825 0.10727078785418 0.12337420993841 78.960 > 8 86 Se 0.75523831166825 0.10727078785418 0.12337420993841 78.960 > 8 87 Se 0.25523831166825 0.10727078785418 0.62337420993840 78.960 > 8 88 Se 0.75523831166825 0.10727078785418 0.62337420993840 78.960 > 8 89 Se 0.12500000000000 0.21362386009424 0.37774171597448 78.960 > 9 90 Se 0.62500000000000 0.21362386009424 0.37774171597448 78.960 > 9 91 Se 0.12500000000000 0.21362386009424 0.87774171597448 78.960 > 9 92 Se 0.62500000000000 0.21362386009424 0.87774171597448 78.960 > 9 93 Se 0.12500000000000 0.00243939265399 0.37472860118863 78.960 > 10 94 Se 0.62500000000000 0.00243939265399 0.37472860118863 78.960 > 10 95 Se 0.12500000000000 0.00243939265399 0.87472860118864 78.960 > 10 96 Se 0.62500000000000 0.00243939265399 0.87472860118864 78.960 > 10 97 Se 0.37500000000000 0.28637613990576 0.12774171597448 78.960 > 11 98 Se 0.87500000000000 0.28637613990576 0.12774171597448 78.960 > 11 99 Se 0.37500000000000 0.28637613990576 0.62774171597448 78.960 > 11 100 Se 0.87500000000000 0.28637613990576 0.62774171597448 78.960 > 11 101 Se 0.49476168833175 0.10727078785418 0.12337420993841 78.960 > 12 102 Se 0.99476168833175 0.10727078785418 0.12337420993841 78.960 > 12 103 Se 0.49476168833175 0.10727078785418 0.62337420993840 78.960 > 12 104 Se 0.99476168833175 0.10727078785418 0.62337420993840 78.960 > 12 105 Se 0.00523831166825 0.39272921214583 0.37337420993840 78.960 > 13 106 Se 0.50523831166825 0.39272921214583 0.37337420993840 78.960 > 13 107 Se 0.00523831166825 0.39272921214583 0.87337420993840 78.960 > 13 108 Se 0.50523831166825 0.39272921214583 0.87337420993840 78.960 > 13 109 Se 0.24476168833175 0.39272921214583 0.37337420993840 78.960 > 14 110 Se 0.74476168833175 0.39272921214583 0.37337420993840 78.960 > 14 111 Se 0.24476168833175 0.39272921214583 0.87337420993840 78.960 > 14 112 Se 0.74476168833175 0.39272921214583 0.87337420993840 78.960 > 14 *113 Nb 0.37500000000000 0.88964156459249 0.24965559049182 92.906 > 15 114 Nb 0.87500000000000 0.88964156459249 0.24965559049182 92.906 > 15 115 Nb 0.37500000000000 0.88964156459249 0.74965559049182 92.906 > 15 116 Nb 0.87500000000000 0.88964156459249 0.74965559049182 92.906 > 15 117 Nb 0.12500000000000 0.61035843540751 0.49965559049182 92.906 > 16 118 Nb 0.62500000000000 0.61035843540751 0.49965559049182 92.906 > 16 119 Nb 0.12500000000000 0.61035843540751 0.99965559049182 92.906 > 16 120 Nb 0.62500000000000 0.61035843540751 0.99965559049182 92.906 > 16 121 Nb 0.37500000000000 0.38964156459249 0.49965559049182 92.906 > 15 122 Nb 0.87500000000000 0.38964156459249 0.49965559049182 92.906 > 15 123 Nb 0.37500000000000 0.38964156459249 0.99965559049182 92.906 > 15 124 Nb 0.87500000000000 0.38964156459249 0.99965559049182 92.906 > 15 125 Nb 0.12500000000000 0.11035843540751 0.24965559049182 92.906 > 16 126 Nb 0.62500000000000 0.11035843540751 0.24965559049182 92.906 > 16 127 Nb 0.12500000000000 0.11035843540751 0.74965559049182 92.906 > 16 128 Nb 0.62500000000000 0.11035843540751 0.74965559049182 92.906 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5477564 0.0000000 0.0000000 0.0000000 6.2011093 0.0000000 0.0000000 0.0000000 7.2709894 -------------------------- Born effective charges -------------------------- 1 K 1.5015251 0.0000000 0.0000000 0.0000000 1.6861382 0.0064214 0.0000000 0.0020685 1.4024720 2 K 1.5015251 0.0000000 0.0000000 0.0000000 1.6861382 -0.0064214 0.0000000 -0.0020685 1.4024720 3 Cu 0.3209915 0.0000000 0.0000000 0.0000000 0.3096849 0.0720032 0.0000000 0.0308198 0.0193741 4 Cu 0.3209915 0.0000000 0.0000000 0.0000000 0.3096849 -0.0720032 0.0000000 -0.0308198 0.0193741 5 Cu 0.1957249 0.0902292 0.0000000 0.0380510 0.1218138 0.0000000 0.0000000 -0.0000000 0.4281062 6 Cu 0.1957249 -0.0902292 0.0000000 -0.0380510 0.1218138 0.0000000 0.0000000 -0.0000000 0.4281062 7 Se -0.1051873 0.0000000 0.0000000 0.0000000 -1.0796709 -0.5875081 0.0000000 -0.7101034 -0.5474327 8 Se -1.4378669 -0.0599116 0.5639722 0.1338891 -0.1145944 0.0816551 1.0094160 0.2639769 -1.0764884 9 Se -0.2135164 0.0000000 0.0000000 0.0000000 -1.8072511 -0.6688643 0.0000000 -1.3587411 -1.5626897 10 Se -0.1051873 0.0000000 0.0000000 0.0000000 -1.0796709 0.5875081 0.0000000 0.7101034 -0.5474327 11 Se -0.2135164 0.0000000 0.0000000 0.0000000 -1.8072511 0.6688643 0.0000000 1.3587411 -1.5626897 12 Se -1.4378669 0.0599116 -0.5639722 -0.1338891 -0.1145944 0.0816551 -1.0094160 0.2639769 -1.0764884 13 Se -1.4378669 0.0599116 0.5639722 -0.1338891 -0.1145944 -0.0816551 1.0094160 -0.2639769 -1.0764884 14 Se -1.4378669 -0.0599116 -0.5639722 0.1338891 -0.1145944 -0.0816551 -1.0094160 -0.2639769 -1.0764884 15 Nb 1.1761960 0.0000000 0.0000000 0.0000000 0.9984739 -0.5620930 0.0000000 -0.7820334 2.4131469 16 Nb 1.1761960 0.0000000 0.0000000 0.0000000 0.9984739 0.5620930 0.0000000 0.7820334 2.4131469 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 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: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 608 / 608 (1) 100 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2389), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (408, 406), data: True |-- (416, 412), data: True |-- (608, 596), data: False |-- (608, 8), data: (608, 20) @ (20, 8) |-- (108, 100), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 480 - Time: 1.995 Solver_block: 200 / 480 - Time: 2.161 Solver_block: 300 / 480 - Time: 1.585 Solver_block: 400 / 480 - Time: 1.175 Solver_block: 480 / 480 - Time: 0.653 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.771 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 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: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 608 / 608 (1) 100 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2389), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (408, 406), data: True |-- (416, 412), data: True |-- (608, 596), data: False |-- (608, 8), data: (608, 20) @ (20, 8) |-- (108, 100), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:51:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:51:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.579357420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.364965225000002 2.812172350000000 c 0.000000000000000 -9.364965225000002 2.812172350000000 Atomic positions (fractional): 1 K 0.25000000000000 0.55954092587960 0.92645789201924 39.098 2 K 0.75000000000000 0.92645789201924 0.55954092587960 39.098 3 Cu 0.75000000000000 0.89234533828455 0.10690267889321 63.546 4 Cu 0.25000000000000 0.10690267889321 0.89234533828455 63.546 5 Cu 0.50000000000000 0.48265796739822 0.48265796739822 63.546 6 Cu 0.00000000000000 0.48265796739822 0.48265796739822 63.546 7 Se 0.75000000000000 0.74701780972328 0.75189659503126 78.960 8 Se 0.51047662333649 0.35401920773098 0.13947763202263 78.960 9 Se 0.25000000000000 0.96910729204320 0.54185957185473 78.960 10 Se 0.25000000000000 0.75189659503126 0.74701780972328 78.960 11 Se 0.75000000000000 0.54185957185473 0.96910729204320 78.960 12 Se 0.98952337666351 0.35401920773098 0.13947763202263 78.960 13 Se 0.01047662333649 0.13947763202263 0.35401920773098 78.960 14 Se 0.48952337666351 0.13947763202263 0.35401920773098 78.960 15 Nb 0.75000000000000 0.38895274557613 0.60966961639115 92.906 16 Nb 0.25000000000000 0.60966961639115 0.38895274557613 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.158714840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.729930450000005 0.000000000000000 c 0.000000000000000 0.000000000000000 11.248689400000000 Atomic positions (fractional): 1 K 0.12500000000000 0.81654151693018 0.37149970447471 39.098 > 1 2 K 0.62500000000000 0.81654151693018 0.37149970447471 39.098 > 1 3 K 0.12500000000000 0.81654151693018 0.87149970447471 39.098 > 1 4 K 0.62500000000000 0.81654151693018 0.87149970447471 39.098 > 1 5 K 0.37500000000000 0.68345848306982 0.12149970447471 39.098 > 5 6 K 0.87500000000000 0.68345848306982 0.12149970447471 39.098 > 5 7 K 0.37500000000000 0.68345848306982 0.62149970447471 39.098 > 5 8 K 0.87500000000000 0.68345848306982 0.62149970447471 39.098 > 5 9 K 0.12500000000000 0.31654151693018 0.12149970447471 39.098 > 1 10 K 0.62500000000000 0.31654151693018 0.12149970447471 39.098 > 1 11 K 0.12500000000000 0.31654151693018 0.62149970447471 39.098 > 1 12 K 0.62500000000000 0.31654151693018 0.62149970447471 39.098 > 1 13 K 0.37500000000000 0.18345848306982 0.37149970447471 39.098 > 5 14 K 0.87500000000000 0.18345848306982 0.37149970447471 39.098 > 5 15 K 0.37500000000000 0.18345848306982 0.87149970447471 39.098 > 5 16 K 0.87500000000000 0.18345848306982 0.87149970447471 39.098 > 5 17 Cu 0.37500000000000 0.89272132969567 0.49981200429444 63.546 > 17 18 Cu 0.87500000000000 0.89272132969567 0.49981200429444 63.546 > 17 19 Cu 0.37500000000000 0.89272132969567 0.99981200429444 63.546 > 17 20 Cu 0.87500000000000 0.89272132969567 0.99981200429444 63.546 > 17 21 Cu 0.12500000000000 0.60727867030433 0.24981200429444 63.546 > 21 22 Cu 0.62500000000000 0.60727867030433 0.24981200429444 63.546 > 21 23 Cu 0.12500000000000 0.60727867030433 0.74981200429444 63.546 > 21 24 Cu 0.62500000000000 0.60727867030433 0.74981200429444 63.546 > 21 25 Cu 0.25000000000000 0.00000000000000 0.24132898369911 63.546 > 25 26 Cu 0.75000000000000 0.00000000000000 0.24132898369911 63.546 > 25 27 Cu 0.25000000000000 0.00000000000000 0.74132898369911 63.546 > 25 28 Cu 0.75000000000000 0.00000000000000 0.74132898369911 63.546 > 25 29 Cu 0.00000000000000 0.00000000000000 0.24132898369911 63.546 > 29 30 Cu 0.50000000000000 0.00000000000000 0.24132898369911 63.546 > 29 31 Cu 0.00000000000000 0.00000000000000 0.74132898369911 63.546 > 29 32 Cu 0.50000000000000 0.00000000000000 0.74132898369911 63.546 > 29 33 Cu 0.37500000000000 0.39272132969567 0.24981200429444 63.546 > 17 34 Cu 0.87500000000000 0.39272132969567 0.24981200429444 63.546 > 17 35 Cu 0.37500000000000 0.39272132969567 0.74981200429444 63.546 > 17 36 Cu 0.87500000000000 0.39272132969567 0.74981200429444 63.546 > 17 37 Cu 0.12500000000000 0.10727867030433 0.49981200429444 63.546 > 21 38 Cu 0.62500000000000 0.10727867030433 0.49981200429444 63.546 > 21 39 Cu 0.12500000000000 0.10727867030433 0.99981200429444 63.546 > 21 40 Cu 0.62500000000000 0.10727867030433 0.99981200429444 63.546 > 21 41 Cu 0.25000000000000 0.50000000000000 0.49132898369911 63.546 > 25 42 Cu 0.75000000000000 0.50000000000000 0.49132898369911 63.546 > 25 43 Cu 0.25000000000000 0.50000000000000 0.99132898369911 63.546 > 25 44 Cu 0.75000000000000 0.50000000000000 0.99132898369911 63.546 > 25 45 Cu 0.00000000000000 0.50000000000000 0.49132898369911 63.546 > 29 46 Cu 0.50000000000000 0.50000000000000 0.49132898369911 63.546 > 29 47 Cu 0.00000000000000 0.50000000000000 0.99132898369911 63.546 > 29 48 Cu 0.50000000000000 0.50000000000000 0.99132898369911 63.546 > 29 49 Se 0.37500000000000 0.99756060734601 0.37472860118863 78.960 > 49 50 Se 0.87500000000000 0.99756060734601 0.37472860118863 78.960 > 49 51 Se 0.37500000000000 0.99756060734601 0.87472860118864 78.960 > 49 52 Se 0.87500000000000 0.99756060734601 0.87472860118864 78.960 > 49 53 Se 0.25523831166825 0.60727078785417 0.37337420993840 78.960 > 53 54 Se 0.75523831166825 0.60727078785417 0.37337420993840 78.960 > 53 55 Se 0.25523831166825 0.60727078785417 0.87337420993840 78.960 > 53 56 Se 0.75523831166825 0.60727078785417 0.87337420993840 78.960 > 53 57 Se 0.12500000000000 0.71362386009424 0.12774171597448 78.960 > 57 58 Se 0.62500000000000 0.71362386009424 0.12774171597448 78.960 > 57 59 Se 0.12500000000000 0.71362386009424 0.62774171597448 78.960 > 57 60 Se 0.62500000000000 0.71362386009424 0.62774171597448 78.960 > 57 61 Se 0.12500000000000 0.50243939265399 0.12472860118864 78.960 > 61 62 Se 0.62500000000000 0.50243939265399 0.12472860118864 78.960 > 61 63 Se 0.12500000000000 0.50243939265399 0.62472860118864 78.960 > 61 64 Se 0.62500000000000 0.50243939265399 0.62472860118864 78.960 > 61 65 Se 0.37500000000000 0.78637613990576 0.37774171597448 78.960 > 65 66 Se 0.87500000000000 0.78637613990576 0.37774171597448 78.960 > 65 67 Se 0.37500000000000 0.78637613990576 0.87774171597448 78.960 > 65 68 Se 0.87500000000000 0.78637613990576 0.87774171597448 78.960 > 65 69 Se 0.49476168833175 0.60727078785417 0.37337420993840 78.960 > 69 70 Se 0.99476168833175 0.60727078785417 0.37337420993840 78.960 > 69 71 Se 0.49476168833175 0.60727078785417 0.87337420993840 78.960 > 69 72 Se 0.99476168833175 0.60727078785417 0.87337420993840 78.960 > 69 73 Se 0.00523831166825 0.89272921214583 0.12337420993841 78.960 > 73 74 Se 0.50523831166825 0.89272921214583 0.12337420993841 78.960 > 73 75 Se 0.00523831166825 0.89272921214583 0.62337420993840 78.960 > 73 76 Se 0.50523831166825 0.89272921214583 0.62337420993840 78.960 > 73 77 Se 0.24476168833175 0.89272921214583 0.12337420993841 78.960 > 77 78 Se 0.74476168833175 0.89272921214583 0.12337420993841 78.960 > 77 79 Se 0.24476168833175 0.89272921214583 0.62337420993840 78.960 > 77 80 Se 0.74476168833175 0.89272921214583 0.62337420993840 78.960 > 77 81 Se 0.37500000000000 0.49756060734600 0.12472860118864 78.960 > 49 82 Se 0.87500000000000 0.49756060734600 0.12472860118864 78.960 > 49 83 Se 0.37500000000000 0.49756060734600 0.62472860118864 78.960 > 49 84 Se 0.87500000000000 0.49756060734600 0.62472860118864 78.960 > 49 85 Se 0.25523831166825 0.10727078785418 0.12337420993841 78.960 > 53 86 Se 0.75523831166825 0.10727078785418 0.12337420993841 78.960 > 53 87 Se 0.25523831166825 0.10727078785418 0.62337420993840 78.960 > 53 88 Se 0.75523831166825 0.10727078785418 0.62337420993840 78.960 > 53 89 Se 0.12500000000000 0.21362386009424 0.37774171597448 78.960 > 57 90 Se 0.62500000000000 0.21362386009424 0.37774171597448 78.960 > 57 91 Se 0.12500000000000 0.21362386009424 0.87774171597448 78.960 > 57 92 Se 0.62500000000000 0.21362386009424 0.87774171597448 78.960 > 57 93 Se 0.12500000000000 0.00243939265399 0.37472860118863 78.960 > 61 94 Se 0.62500000000000 0.00243939265399 0.37472860118863 78.960 > 61 95 Se 0.12500000000000 0.00243939265399 0.87472860118864 78.960 > 61 96 Se 0.62500000000000 0.00243939265399 0.87472860118864 78.960 > 61 97 Se 0.37500000000000 0.28637613990576 0.12774171597448 78.960 > 65 98 Se 0.87500000000000 0.28637613990576 0.12774171597448 78.960 > 65 99 Se 0.37500000000000 0.28637613990576 0.62774171597448 78.960 > 65 100 Se 0.87500000000000 0.28637613990576 0.62774171597448 78.960 > 65 101 Se 0.49476168833175 0.10727078785418 0.12337420993841 78.960 > 69 102 Se 0.99476168833175 0.10727078785418 0.12337420993841 78.960 > 69 103 Se 0.49476168833175 0.10727078785418 0.62337420993840 78.960 > 69 104 Se 0.99476168833175 0.10727078785418 0.62337420993840 78.960 > 69 105 Se 0.00523831166825 0.39272921214583 0.37337420993840 78.960 > 73 106 Se 0.50523831166825 0.39272921214583 0.37337420993840 78.960 > 73 107 Se 0.00523831166825 0.39272921214583 0.87337420993840 78.960 > 73 108 Se 0.50523831166825 0.39272921214583 0.87337420993840 78.960 > 73 109 Se 0.24476168833175 0.39272921214583 0.37337420993840 78.960 > 77 110 Se 0.74476168833175 0.39272921214583 0.37337420993840 78.960 > 77 111 Se 0.24476168833175 0.39272921214583 0.87337420993840 78.960 > 77 112 Se 0.74476168833175 0.39272921214583 0.87337420993840 78.960 > 77 113 Nb 0.37500000000000 0.88964156459249 0.24965559049182 92.906 > 113 114 Nb 0.87500000000000 0.88964156459249 0.24965559049182 92.906 > 113 115 Nb 0.37500000000000 0.88964156459249 0.74965559049182 92.906 > 113 116 Nb 0.87500000000000 0.88964156459249 0.74965559049182 92.906 > 113 117 Nb 0.12500000000000 0.61035843540751 0.49965559049182 92.906 > 117 118 Nb 0.62500000000000 0.61035843540751 0.49965559049182 92.906 > 117 119 Nb 0.12500000000000 0.61035843540751 0.99965559049182 92.906 > 117 120 Nb 0.62500000000000 0.61035843540751 0.99965559049182 92.906 > 117 121 Nb 0.37500000000000 0.38964156459249 0.49965559049182 92.906 > 113 122 Nb 0.87500000000000 0.38964156459249 0.49965559049182 92.906 > 113 123 Nb 0.37500000000000 0.38964156459249 0.99965559049182 92.906 > 113 124 Nb 0.87500000000000 0.38964156459249 0.99965559049182 92.906 > 113 125 Nb 0.12500000000000 0.11035843540751 0.24965559049182 92.906 > 117 126 Nb 0.62500000000000 0.11035843540751 0.24965559049182 92.906 > 117 127 Nb 0.12500000000000 0.11035843540751 0.74965559049182 92.906 > 117 128 Nb 0.62500000000000 0.11035843540751 0.74965559049182 92.906 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5477564 0.0000000 0.0000000 0.0000000 6.2011093 0.0000000 0.0000000 0.0000000 7.2709894 -------------------------- Born effective charges -------------------------- 1 K 1.5015251 0.0000000 0.0000000 0.0000000 1.6861382 0.0064214 0.0000000 0.0020685 1.4024720 2 K 1.5015251 0.0000000 0.0000000 0.0000000 1.6861382 -0.0064214 0.0000000 -0.0020685 1.4024720 3 Cu 0.3209915 0.0000000 0.0000000 0.0000000 0.3096849 0.0720032 0.0000000 0.0308198 0.0193741 4 Cu 0.3209915 0.0000000 0.0000000 0.0000000 0.3096849 -0.0720032 0.0000000 -0.0308198 0.0193741 5 Cu 0.1957249 0.0902292 0.0000000 0.0380510 0.1218138 0.0000000 0.0000000 -0.0000000 0.4281062 6 Cu 0.1957249 -0.0902292 0.0000000 -0.0380510 0.1218138 0.0000000 0.0000000 -0.0000000 0.4281062 7 Se -0.1051873 0.0000000 0.0000000 0.0000000 -1.0796709 -0.5875081 0.0000000 -0.7101034 -0.5474327 8 Se -1.4378669 -0.0599116 0.5639722 0.1338891 -0.1145944 0.0816551 1.0094160 0.2639769 -1.0764884 9 Se -0.2135164 0.0000000 0.0000000 0.0000000 -1.8072511 -0.6688643 0.0000000 -1.3587411 -1.5626897 10 Se -0.1051873 0.0000000 0.0000000 0.0000000 -1.0796709 0.5875081 0.0000000 0.7101034 -0.5474327 11 Se -0.2135164 0.0000000 0.0000000 0.0000000 -1.8072511 0.6688643 0.0000000 1.3587411 -1.5626897 12 Se -1.4378669 0.0599116 -0.5639722 -0.1338891 -0.1145944 0.0816551 -1.0094160 0.2639769 -1.0764884 13 Se -1.4378669 0.0599116 0.5639722 -0.1338891 -0.1145944 -0.0816551 1.0094160 -0.2639769 -1.0764884 14 Se -1.4378669 -0.0599116 -0.5639722 0.1338891 -0.1145944 -0.0816551 -1.0094160 -0.2639769 -1.0764884 15 Nb 1.1761960 0.0000000 0.0000000 0.0000000 0.9984739 -0.5620930 0.0000000 -0.7820334 2.4131469 16 Nb 1.1761960 0.0000000 0.0000000 0.0000000 0.9984739 0.5620930 0.0000000 0.7820334 2.4131469 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (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 2026-01-07 21:52:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:52:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.579357420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.364965225000002 2.812172350000000 c 0.000000000000000 -9.364965225000002 2.812172350000000 Atomic positions (fractional): 1 K 0.25000000000000 0.55954092587960 0.92645789201924 39.098 2 K 0.75000000000000 0.92645789201924 0.55954092587960 39.098 3 Cu 0.75000000000000 0.89234533828455 0.10690267889321 63.546 4 Cu 0.25000000000000 0.10690267889321 0.89234533828455 63.546 5 Cu 0.50000000000000 0.48265796739822 0.48265796739822 63.546 6 Cu 0.00000000000000 0.48265796739822 0.48265796739822 63.546 7 Se 0.75000000000000 0.74701780972328 0.75189659503126 78.960 8 Se 0.51047662333649 0.35401920773098 0.13947763202263 78.960 9 Se 0.25000000000000 0.96910729204320 0.54185957185473 78.960 10 Se 0.25000000000000 0.75189659503126 0.74701780972328 78.960 11 Se 0.75000000000000 0.54185957185473 0.96910729204320 78.960 12 Se 0.98952337666351 0.35401920773098 0.13947763202263 78.960 13 Se 0.01047662333649 0.13947763202263 0.35401920773098 78.960 14 Se 0.48952337666351 0.13947763202263 0.35401920773098 78.960 15 Nb 0.75000000000000 0.38895274557613 0.60966961639115 92.906 16 Nb 0.25000000000000 0.60966961639115 0.38895274557613 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.158714840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.729930450000005 0.000000000000000 c 0.000000000000000 0.000000000000000 11.248689400000000 Atomic positions (fractional): 1 K 0.12500000000000 0.81654151693018 0.37149970447471 39.098 > 1 2 K 0.62500000000000 0.81654151693018 0.37149970447471 39.098 > 1 3 K 0.12500000000000 0.81654151693018 0.87149970447471 39.098 > 1 4 K 0.62500000000000 0.81654151693018 0.87149970447471 39.098 > 1 5 K 0.37500000000000 0.68345848306982 0.12149970447471 39.098 > 5 6 K 0.87500000000000 0.68345848306982 0.12149970447471 39.098 > 5 7 K 0.37500000000000 0.68345848306982 0.62149970447471 39.098 > 5 8 K 0.87500000000000 0.68345848306982 0.62149970447471 39.098 > 5 9 K 0.12500000000000 0.31654151693018 0.12149970447471 39.098 > 1 10 K 0.62500000000000 0.31654151693018 0.12149970447471 39.098 > 1 11 K 0.12500000000000 0.31654151693018 0.62149970447471 39.098 > 1 12 K 0.62500000000000 0.31654151693018 0.62149970447471 39.098 > 1 13 K 0.37500000000000 0.18345848306982 0.37149970447471 39.098 > 5 14 K 0.87500000000000 0.18345848306982 0.37149970447471 39.098 > 5 15 K 0.37500000000000 0.18345848306982 0.87149970447471 39.098 > 5 16 K 0.87500000000000 0.18345848306982 0.87149970447471 39.098 > 5 17 Cu 0.37500000000000 0.89272132969567 0.49981200429444 63.546 > 17 18 Cu 0.87500000000000 0.89272132969567 0.49981200429444 63.546 > 17 19 Cu 0.37500000000000 0.89272132969567 0.99981200429444 63.546 > 17 20 Cu 0.87500000000000 0.89272132969567 0.99981200429444 63.546 > 17 21 Cu 0.12500000000000 0.60727867030433 0.24981200429444 63.546 > 21 22 Cu 0.62500000000000 0.60727867030433 0.24981200429444 63.546 > 21 23 Cu 0.12500000000000 0.60727867030433 0.74981200429444 63.546 > 21 24 Cu 0.62500000000000 0.60727867030433 0.74981200429444 63.546 > 21 25 Cu 0.25000000000000 0.00000000000000 0.24132898369911 63.546 > 25 26 Cu 0.75000000000000 0.00000000000000 0.24132898369911 63.546 > 25 27 Cu 0.25000000000000 0.00000000000000 0.74132898369911 63.546 > 25 28 Cu 0.75000000000000 0.00000000000000 0.74132898369911 63.546 > 25 29 Cu 0.00000000000000 0.00000000000000 0.24132898369911 63.546 > 29 30 Cu 0.50000000000000 0.00000000000000 0.24132898369911 63.546 > 29 31 Cu 0.00000000000000 0.00000000000000 0.74132898369911 63.546 > 29 32 Cu 0.50000000000000 0.00000000000000 0.74132898369911 63.546 > 29 33 Cu 0.37500000000000 0.39272132969567 0.24981200429444 63.546 > 17 34 Cu 0.87500000000000 0.39272132969567 0.24981200429444 63.546 > 17 35 Cu 0.37500000000000 0.39272132969567 0.74981200429444 63.546 > 17 36 Cu 0.87500000000000 0.39272132969567 0.74981200429444 63.546 > 17 37 Cu 0.12500000000000 0.10727867030433 0.49981200429444 63.546 > 21 38 Cu 0.62500000000000 0.10727867030433 0.49981200429444 63.546 > 21 39 Cu 0.12500000000000 0.10727867030433 0.99981200429444 63.546 > 21 40 Cu 0.62500000000000 0.10727867030433 0.99981200429444 63.546 > 21 41 Cu 0.25000000000000 0.50000000000000 0.49132898369911 63.546 > 25 42 Cu 0.75000000000000 0.50000000000000 0.49132898369911 63.546 > 25 43 Cu 0.25000000000000 0.50000000000000 0.99132898369911 63.546 > 25 44 Cu 0.75000000000000 0.50000000000000 0.99132898369911 63.546 > 25 45 Cu 0.00000000000000 0.50000000000000 0.49132898369911 63.546 > 29 46 Cu 0.50000000000000 0.50000000000000 0.49132898369911 63.546 > 29 47 Cu 0.00000000000000 0.50000000000000 0.99132898369911 63.546 > 29 48 Cu 0.50000000000000 0.50000000000000 0.99132898369911 63.546 > 29 49 Se 0.37500000000000 0.99756060734601 0.37472860118863 78.960 > 49 50 Se 0.87500000000000 0.99756060734601 0.37472860118863 78.960 > 49 51 Se 0.37500000000000 0.99756060734601 0.87472860118864 78.960 > 49 52 Se 0.87500000000000 0.99756060734601 0.87472860118864 78.960 > 49 53 Se 0.25523831166825 0.60727078785417 0.37337420993840 78.960 > 53 54 Se 0.75523831166825 0.60727078785417 0.37337420993840 78.960 > 53 55 Se 0.25523831166825 0.60727078785417 0.87337420993840 78.960 > 53 56 Se 0.75523831166825 0.60727078785417 0.87337420993840 78.960 > 53 57 Se 0.12500000000000 0.71362386009424 0.12774171597448 78.960 > 57 58 Se 0.62500000000000 0.71362386009424 0.12774171597448 78.960 > 57 59 Se 0.12500000000000 0.71362386009424 0.62774171597448 78.960 > 57 60 Se 0.62500000000000 0.71362386009424 0.62774171597448 78.960 > 57 61 Se 0.12500000000000 0.50243939265399 0.12472860118864 78.960 > 61 62 Se 0.62500000000000 0.50243939265399 0.12472860118864 78.960 > 61 63 Se 0.12500000000000 0.50243939265399 0.62472860118864 78.960 > 61 64 Se 0.62500000000000 0.50243939265399 0.62472860118864 78.960 > 61 65 Se 0.37500000000000 0.78637613990576 0.37774171597448 78.960 > 65 66 Se 0.87500000000000 0.78637613990576 0.37774171597448 78.960 > 65 67 Se 0.37500000000000 0.78637613990576 0.87774171597448 78.960 > 65 68 Se 0.87500000000000 0.78637613990576 0.87774171597448 78.960 > 65 69 Se 0.49476168833175 0.60727078785417 0.37337420993840 78.960 > 69 70 Se 0.99476168833175 0.60727078785417 0.37337420993840 78.960 > 69 71 Se 0.49476168833175 0.60727078785417 0.87337420993840 78.960 > 69 72 Se 0.99476168833175 0.60727078785417 0.87337420993840 78.960 > 69 73 Se 0.00523831166825 0.89272921214583 0.12337420993841 78.960 > 73 74 Se 0.50523831166825 0.89272921214583 0.12337420993841 78.960 > 73 75 Se 0.00523831166825 0.89272921214583 0.62337420993840 78.960 > 73 76 Se 0.50523831166825 0.89272921214583 0.62337420993840 78.960 > 73 77 Se 0.24476168833175 0.89272921214583 0.12337420993841 78.960 > 77 78 Se 0.74476168833175 0.89272921214583 0.12337420993841 78.960 > 77 79 Se 0.24476168833175 0.89272921214583 0.62337420993840 78.960 > 77 80 Se 0.74476168833175 0.89272921214583 0.62337420993840 78.960 > 77 81 Se 0.37500000000000 0.49756060734600 0.12472860118864 78.960 > 49 82 Se 0.87500000000000 0.49756060734600 0.12472860118864 78.960 > 49 83 Se 0.37500000000000 0.49756060734600 0.62472860118864 78.960 > 49 84 Se 0.87500000000000 0.49756060734600 0.62472860118864 78.960 > 49 85 Se 0.25523831166825 0.10727078785418 0.12337420993841 78.960 > 53 86 Se 0.75523831166825 0.10727078785418 0.12337420993841 78.960 > 53 87 Se 0.25523831166825 0.10727078785418 0.62337420993840 78.960 > 53 88 Se 0.75523831166825 0.10727078785418 0.62337420993840 78.960 > 53 89 Se 0.12500000000000 0.21362386009424 0.37774171597448 78.960 > 57 90 Se 0.62500000000000 0.21362386009424 0.37774171597448 78.960 > 57 91 Se 0.12500000000000 0.21362386009424 0.87774171597448 78.960 > 57 92 Se 0.62500000000000 0.21362386009424 0.87774171597448 78.960 > 57 93 Se 0.12500000000000 0.00243939265399 0.37472860118863 78.960 > 61 94 Se 0.62500000000000 0.00243939265399 0.37472860118863 78.960 > 61 95 Se 0.12500000000000 0.00243939265399 0.87472860118864 78.960 > 61 96 Se 0.62500000000000 0.00243939265399 0.87472860118864 78.960 > 61 97 Se 0.37500000000000 0.28637613990576 0.12774171597448 78.960 > 65 98 Se 0.87500000000000 0.28637613990576 0.12774171597448 78.960 > 65 99 Se 0.37500000000000 0.28637613990576 0.62774171597448 78.960 > 65 100 Se 0.87500000000000 0.28637613990576 0.62774171597448 78.960 > 65 101 Se 0.49476168833175 0.10727078785418 0.12337420993841 78.960 > 69 102 Se 0.99476168833175 0.10727078785418 0.12337420993841 78.960 > 69 103 Se 0.49476168833175 0.10727078785418 0.62337420993840 78.960 > 69 104 Se 0.99476168833175 0.10727078785418 0.62337420993840 78.960 > 69 105 Se 0.00523831166825 0.39272921214583 0.37337420993840 78.960 > 73 106 Se 0.50523831166825 0.39272921214583 0.37337420993840 78.960 > 73 107 Se 0.00523831166825 0.39272921214583 0.87337420993840 78.960 > 73 108 Se 0.50523831166825 0.39272921214583 0.87337420993840 78.960 > 73 109 Se 0.24476168833175 0.39272921214583 0.37337420993840 78.960 > 77 110 Se 0.74476168833175 0.39272921214583 0.37337420993840 78.960 > 77 111 Se 0.24476168833175 0.39272921214583 0.87337420993840 78.960 > 77 112 Se 0.74476168833175 0.39272921214583 0.87337420993840 78.960 > 77 113 Nb 0.37500000000000 0.88964156459249 0.24965559049182 92.906 > 113 114 Nb 0.87500000000000 0.88964156459249 0.24965559049182 92.906 > 113 115 Nb 0.37500000000000 0.88964156459249 0.74965559049182 92.906 > 113 116 Nb 0.87500000000000 0.88964156459249 0.74965559049182 92.906 > 113 117 Nb 0.12500000000000 0.61035843540751 0.49965559049182 92.906 > 117 118 Nb 0.62500000000000 0.61035843540751 0.49965559049182 92.906 > 117 119 Nb 0.12500000000000 0.61035843540751 0.99965559049182 92.906 > 117 120 Nb 0.62500000000000 0.61035843540751 0.99965559049182 92.906 > 117 121 Nb 0.37500000000000 0.38964156459249 0.49965559049182 92.906 > 113 122 Nb 0.87500000000000 0.38964156459249 0.49965559049182 92.906 > 113 123 Nb 0.37500000000000 0.38964156459249 0.99965559049182 92.906 > 113 124 Nb 0.87500000000000 0.38964156459249 0.99965559049182 92.906 > 113 125 Nb 0.12500000000000 0.11035843540751 0.24965559049182 92.906 > 117 126 Nb 0.62500000000000 0.11035843540751 0.24965559049182 92.906 > 117 127 Nb 0.12500000000000 0.11035843540751 0.74965559049182 92.906 > 117 128 Nb 0.62500000000000 0.11035843540751 0.74965559049182 92.906 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5477564 0.0000000 0.0000000 0.0000000 6.2011093 0.0000000 0.0000000 0.0000000 7.2709894 -------------------------- Born effective charges -------------------------- 1 K 1.5015251 0.0000000 0.0000000 0.0000000 1.6861382 0.0064214 0.0000000 0.0020685 1.4024720 2 K 1.5015251 0.0000000 0.0000000 0.0000000 1.6861382 -0.0064214 0.0000000 -0.0020685 1.4024720 3 Cu 0.3209915 0.0000000 0.0000000 0.0000000 0.3096849 0.0720032 0.0000000 0.0308198 0.0193741 4 Cu 0.3209915 0.0000000 0.0000000 0.0000000 0.3096849 -0.0720032 0.0000000 -0.0308198 0.0193741 5 Cu 0.1957249 0.0902292 0.0000000 0.0380510 0.1218138 0.0000000 0.0000000 -0.0000000 0.4281062 6 Cu 0.1957249 -0.0902292 0.0000000 -0.0380510 0.1218138 0.0000000 0.0000000 -0.0000000 0.4281062 7 Se -0.1051873 0.0000000 0.0000000 0.0000000 -1.0796709 -0.5875081 0.0000000 -0.7101034 -0.5474327 8 Se -1.4378669 -0.0599116 0.5639722 0.1338891 -0.1145944 0.0816551 1.0094160 0.2639769 -1.0764884 9 Se -0.2135164 0.0000000 0.0000000 0.0000000 -1.8072511 -0.6688643 0.0000000 -1.3587411 -1.5626897 10 Se -0.1051873 0.0000000 0.0000000 0.0000000 -1.0796709 0.5875081 0.0000000 0.7101034 -0.5474327 11 Se -0.2135164 0.0000000 0.0000000 0.0000000 -1.8072511 0.6688643 0.0000000 1.3587411 -1.5626897 12 Se -1.4378669 0.0599116 -0.5639722 -0.1338891 -0.1145944 0.0816551 -1.0094160 0.2639769 -1.0764884 13 Se -1.4378669 0.0599116 0.5639722 -0.1338891 -0.1145944 -0.0816551 1.0094160 -0.2639769 -1.0764884 14 Se -1.4378669 -0.0599116 -0.5639722 0.1338891 -0.1145944 -0.0816551 -1.0094160 -0.2639769 -1.0764884 15 Nb 1.1761960 0.0000000 0.0000000 0.0000000 0.9984739 -0.5620930 0.0000000 -0.7820334 2.4131469 16 Nb 1.1761960 0.0000000 0.0000000 0.0000000 0.9984739 0.5620930 0.0000000 0.7820334 2.4131469 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 9 ] 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: 0.56, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.852 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 -0.000) 0.000 1.255 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 -0.000) 0.000 1.439 ( 0.000 0.000 -0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 -0.000) 0.000 2.096 ( 0.000 0.000 -0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 -0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 -0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 -0.000) 0.000 3.814 ( 0.000 0.000 -0.000) 0.000 3.952 ( 0.000 0.000 -0.000) 0.000 4.372 ( 0.000 0.000 -0.000) 0.000 4.459 ( 0.000 0.000 -0.000) 0.000 4.562 ( 0.000 0.000 -0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 -0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 -0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 -0.000) 0.000 7.307 ( 0.000 0.000 -0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 9.392 ( 0.000 0.000 -0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.221 ( 12.394 0.000 0.000) 12.394 0.257 ( 14.040 0.000 0.000) 14.040 0.527 ( 24.001 0.000 0.000) 24.001 1.025 ( 7.216 0.000 0.000) 7.216 1.244 ( 3.392 0.000 0.000) 3.392 1.352 ( 3.567 0.000 0.000) 3.567 1.407 ( -2.338 0.000 0.000) 2.338 1.795 ( -1.474 0.000 0.000) 1.474 1.878 ( -1.434 0.000 0.000) 1.434 1.917 ( 1.263 0.000 0.000) 1.263 2.112 ( -1.198 0.000 0.000) 1.198 2.159 ( -0.516 0.000 0.000) 0.516 2.188 ( -0.834 0.000 0.000) 0.834 2.285 ( -1.195 0.000 0.000) 1.195 2.382 ( 0.657 0.000 0.000) 0.657 2.400 ( -1.475 0.000 0.000) 1.475 2.538 ( 0.813 0.000 0.000) 0.813 2.549 ( 3.511 0.000 0.000) 3.511 2.794 ( 2.627 0.000 0.000) 2.627 3.028 ( 0.654 0.000 0.000) 0.654 3.621 ( 1.115 0.000 0.000) 1.115 3.804 ( -1.089 0.000 0.000) 1.089 4.014 ( 2.830 0.000 0.000) 2.830 4.345 ( -2.609 0.000 0.000) 2.609 4.453 ( -0.568 0.000 0.000) 0.568 4.554 ( -0.883 0.000 0.000) 0.883 4.656 ( 1.524 0.000 0.000) 1.524 4.766 ( -0.777 0.000 0.000) 0.777 4.860 ( -1.514 0.000 0.000) 1.514 4.967 ( -3.316 0.000 0.000) 3.316 5.123 ( 2.719 0.000 0.000) 2.719 5.287 ( -0.459 0.000 0.000) 0.459 5.483 ( -0.280 0.000 0.000) 0.280 5.486 ( -0.286 0.000 0.000) 0.286 5.678 ( 0.970 0.000 0.000) 0.970 5.762 ( -0.313 0.000 0.000) 0.313 5.857 ( 0.697 0.000 0.000) 0.697 5.981 ( -0.075 0.000 0.000) 0.075 6.001 ( -1.203 0.000 0.000) 1.203 6.023 ( -0.388 0.000 0.000) 0.388 7.310 ( 0.309 0.000 0.000) 0.309 7.447 ( -1.337 0.000 0.000) 1.337 9.346 ( -0.927 0.000 0.000) 0.927 9.349 ( -0.772 0.000 0.000) 0.772 9.404 ( 1.244 0.000 0.000) 1.244 9.605 ( -1.134 0.000 0.000) 1.134 9.820 ( 0.200 0.000 0.000) 0.200 9.946 ( -1.337 0.000 0.000) 1.337 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 12.424 0.000 0.000) 12.424 0.520 ( 13.658 0.000 0.000) 13.658 0.815 ( 6.721 0.000 0.000) 6.721 1.244 ( -6.476 0.000 0.000) 6.476 1.279 ( 18.575 0.000 0.000) 18.575 1.372 ( 4.187 0.000 0.000) 4.187 1.480 ( 6.710 0.000 0.000) 6.710 1.748 ( -3.844 0.000 0.000) 3.844 1.814 ( -5.107 0.000 0.000) 5.107 1.931 ( -0.509 0.000 0.000) 0.509 2.092 ( 0.001 0.000 0.000) 0.001 2.166 ( -1.358 0.000 0.000) 1.358 2.170 ( 1.080 0.000 0.000) 1.080 2.251 ( -2.292 0.000 0.000) 2.292 2.393 ( 0.386 0.000 0.000) 0.386 2.396 ( 0.746 0.000 0.000) 0.746 2.560 ( 1.477 0.000 0.000) 1.477 2.593 ( 1.242 0.000 0.000) 1.242 2.865 ( 4.645 0.000 0.000) 4.645 3.037 ( -0.059 0.000 0.000) 0.059 3.651 ( 1.984 0.000 0.000) 1.984 3.776 ( -1.831 0.000 0.000) 1.831 4.085 ( 4.316 0.000 0.000) 4.316 4.287 ( -3.256 0.000 0.000) 3.256 4.442 ( -0.428 0.000 0.000) 0.428 4.528 ( -1.897 0.000 0.000) 1.897 4.686 ( 1.488 0.000 0.000) 1.488 4.747 ( -1.101 0.000 0.000) 1.101 4.829 ( -1.400 0.000 0.000) 1.400 4.903 ( -3.304 0.000 0.000) 3.304 5.173 ( 2.519 0.000 0.000) 2.519 5.273 ( -0.973 0.000 0.000) 0.973 5.477 ( -0.317 0.000 0.000) 0.317 5.479 ( -0.360 0.000 0.000) 0.360 5.701 ( 1.357 0.000 0.000) 1.357 5.754 ( -0.500 0.000 0.000) 0.500 5.876 ( 1.264 0.000 0.000) 1.264 5.972 ( -1.744 0.000 0.000) 1.744 5.980 ( 0.024 0.000 0.000) 0.024 6.011 ( -0.834 0.000 0.000) 0.834 7.320 ( 0.787 0.000 0.000) 0.787 7.413 ( -2.064 0.000 0.000) 2.064 9.325 ( -1.067 0.000 0.000) 1.067 9.330 ( -1.054 0.000 0.000) 1.054 9.436 ( 2.089 0.000 0.000) 2.089 9.573 ( -2.118 0.000 0.000) 2.118 9.828 ( 0.693 0.000 0.000) 0.693 9.914 ( -1.982 0.000 0.000) 1.982 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 8.550 0.000 0.000) 8.550 0.728 ( 4.863 0.000 0.000) 4.863 0.889 ( 5.495 0.000 0.000) 5.495 1.070 ( -10.769 0.000 0.000) 10.769 1.484 ( 6.859 0.000 0.000) 6.859 1.584 ( 5.025 0.000 0.000) 5.025 1.604 ( 5.983 0.000 0.000) 5.983 1.662 ( 0.328 0.000 0.000) 0.328 1.727 ( -2.012 0.000 0.000) 2.012 1.865 ( -7.198 0.000 0.000) 7.198 2.109 ( 1.444 0.000 0.000) 1.444 2.138 ( -1.577 0.000 0.000) 1.577 2.189 ( 0.950 0.000 0.000) 0.950 2.211 ( -1.613 0.000 0.000) 1.613 2.403 ( 0.453 0.000 0.000) 0.453 2.406 ( 0.204 0.000 0.000) 0.204 2.588 ( 1.260 0.000 0.000) 1.260 2.602 ( -0.191 0.000 0.000) 0.191 2.953 ( 4.294 0.000 0.000) 4.294 3.017 ( -2.244 0.000 0.000) 2.244 3.693 ( 2.348 0.000 0.000) 2.348 3.737 ( -2.240 0.000 0.000) 2.240 4.165 ( 3.871 0.000 0.000) 3.871 4.228 ( -3.047 0.000 0.000) 3.047 4.447 ( 1.102 0.000 0.000) 1.102 4.484 ( -2.544 0.000 0.000) 2.544 4.709 ( 1.028 0.000 0.000) 1.028 4.727 ( -0.969 0.000 0.000) 0.969 4.819 ( 0.540 0.000 0.000) 0.540 4.848 ( -2.381 0.000 0.000) 2.381 5.216 ( 2.045 0.000 0.000) 2.045 5.250 ( -1.517 0.000 0.000) 1.517 5.473 ( -0.108 0.000 0.000) 0.108 5.474 ( -0.182 0.000 0.000) 0.182 5.725 ( 1.147 0.000 0.000) 1.147 5.743 ( -0.749 0.000 0.000) 0.749 5.904 ( 1.669 0.000 0.000) 1.669 5.938 ( -1.864 0.000 0.000) 1.864 5.984 ( 0.384 0.000 0.000) 0.384 5.995 ( -0.793 0.000 0.000) 0.793 7.341 ( 1.437 0.000 0.000) 1.437 7.374 ( -2.005 0.000 0.000) 2.005 9.311 ( -0.353 0.000 0.000) 0.353 9.314 ( -0.596 0.000 0.000) 0.596 9.480 ( 2.512 0.000 0.000) 2.512 9.528 ( -2.569 0.000 0.000) 2.569 9.847 ( 1.307 0.000 0.000) 1.307 9.877 ( -1.844 0.000 0.000) 1.844 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.000 9.237 13.010) 15.956 0.294 ( 0.000 2.474 13.585) 13.809 0.790 ( 0.000 2.521 37.785) 37.869 0.867 ( 0.000 -2.079 2.230) 3.049 1.194 ( 0.000 -2.743 -0.877) 2.880 1.258 ( 0.000 -0.408 0.607) 0.731 1.308 ( 0.000 3.183 -1.225) 3.411 1.582 ( 0.000 -1.238 12.954) 13.013 1.824 ( 0.000 0.740 -6.451) 6.493 1.854 ( 0.000 0.548 -4.249) 4.284 2.060 ( 0.000 -0.220 -3.402) 3.409 2.168 ( 0.000 0.963 -3.634) 3.759 2.209 ( 0.000 -1.774 -1.628) 2.408 2.316 ( 0.000 -0.178 1.719) 1.728 2.386 ( 0.000 2.731 0.046) 2.731 2.428 ( 0.000 0.224 -0.219) 0.313 2.533 ( 0.000 -2.419 2.611) 3.559 2.582 ( 0.000 6.055 0.197) 6.058 2.885 ( 0.000 -2.349 -0.303) 2.368 3.024 ( 0.000 -0.086 0.223) 0.240 3.621 ( 0.000 1.937 -0.286) 1.958 3.828 ( 0.000 -0.600 0.086) 0.606 3.957 ( 0.000 0.010 0.515) 0.515 4.257 ( 0.000 0.167 -8.696) 8.698 4.461 ( 0.000 -0.028 -2.293) 2.293 4.639 ( 0.000 -0.046 4.526) 4.526 4.653 ( 0.000 0.011 1.381) 1.381 4.761 ( 0.000 -0.111 -0.957) 0.963 4.901 ( 0.000 0.070 2.659) 2.659 5.013 ( 0.000 -0.006 0.536) 0.536 5.124 ( 0.000 0.095 3.225) 3.226 5.313 ( 0.000 0.098 2.155) 2.157 5.486 ( 0.000 -0.008 -0.262) 0.262 5.529 ( 0.000 -0.512 1.962) 2.028 5.674 ( 0.000 0.004 0.597) 0.597 5.769 ( 0.000 0.008 0.404) 0.404 5.833 ( 0.000 0.178 -1.695) 1.705 6.001 ( 0.000 -0.047 1.717) 1.717 6.009 ( 0.000 0.025 -0.479) 0.480 6.025 ( 0.000 -0.308 -0.446) 0.542 7.322 ( 0.000 -0.169 1.469) 1.479 7.472 ( 0.000 0.288 1.127) 1.163 9.356 ( 0.000 0.334 -0.161) 0.371 9.383 ( 0.000 0.120 0.141) 0.185 9.404 ( 0.000 0.307 1.159) 1.199 9.502 ( 0.000 -0.191 -0.167) 0.254 9.957 ( 0.000 -2.346 1.081) 2.583 10.043 ( 0.000 -1.481 -0.962) 1.766 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 7.473 5.256 10.654) 14.035 0.542 ( 14.299 1.043 9.481) 17.188 0.837 ( 6.661 0.527 26.909) 27.727 1.027 ( 11.635 -2.279 5.295) 12.984 1.244 ( 3.723 1.300 -1.618) 4.262 1.337 ( 4.217 -0.440 -1.281) 4.429 1.457 ( 12.319 -3.208 -10.248) 16.342 1.552 ( -2.672 -0.115 11.917) 12.214 1.803 ( -1.961 -0.570 -6.092) 6.425 1.878 ( 2.050 1.011 -3.583) 4.250 2.081 ( 1.500 -0.130 -2.864) 3.235 2.156 ( -1.710 -0.575 -2.691) 3.240 2.171 ( -2.655 0.673 -1.929) 3.350 2.294 ( -1.876 0.757 0.448) 2.072 2.403 ( 1.141 1.282 1.509) 2.285 2.426 ( 0.439 0.417 1.534) 1.649 2.551 ( 1.079 -0.281 1.108) 1.572 2.588 ( 0.620 2.728 0.855) 2.925 2.854 ( -1.015 -1.545 2.204) 2.877 3.030 ( 0.514 -0.050 0.060) 0.520 3.628 ( 0.837 1.064 -0.042) 1.354 3.812 ( -1.442 -0.424 0.324) 1.537 4.000 ( 3.674 -0.175 -0.319) 3.692 4.245 ( -1.118 0.095 -7.854) 7.934 4.443 ( -1.326 0.081 -1.776) 2.218 4.601 ( -2.529 -0.073 2.863) 3.821 4.679 ( 1.204 0.026 1.923) 2.268 4.750 ( -1.023 -0.037 -1.102) 1.505 4.890 ( -0.964 0.056 3.092) 3.239 4.989 ( -2.123 0.049 1.804) 2.787 5.147 ( 2.030 0.062 2.317) 3.081 5.308 ( -0.553 0.021 2.079) 2.151 5.485 ( -0.124 0.003 -0.090) 0.153 5.515 ( -0.998 -0.150 2.356) 2.563 5.684 ( 0.988 0.003 0.601) 1.156 5.766 ( -0.299 0.003 0.414) 0.510 5.839 ( 0.648 0.088 -1.675) 1.798 5.995 ( -1.503 -0.148 -0.805) 1.712 6.000 ( -0.127 0.014 1.605) 1.610 6.023 ( -0.058 -0.028 0.157) 0.170 7.324 ( 0.270 -0.168 1.425) 1.460 7.459 ( -1.340 0.244 1.158) 1.788 9.348 ( -0.788 0.232 -0.123) 0.830 9.359 ( -1.677 0.180 0.609) 1.794 9.416 ( 1.177 0.290 1.109) 1.643 9.538 ( 2.103 -0.549 -2.025) 2.971 9.929 ( -3.756 -3.202 3.328) 5.953 9.963 ( -3.597 2.093 1.172) 4.323 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 10.126 1.543 7.034) 12.425 0.724 ( 6.227 -0.469 9.910) 11.714 0.971 ( 6.307 -0.815 16.925) 18.081 1.316 ( 6.365 0.446 0.954) 6.451 1.322 ( 14.026 -0.032 4.187) 14.638 1.398 ( 0.436 0.327 4.101) 4.137 1.504 ( 1.492 0.263 6.105) 6.290 1.609 ( 2.753 -1.073 -9.503) 9.952 1.751 ( -3.308 -1.685 -4.483) 5.821 1.912 ( 0.929 -0.133 -1.424) 1.706 2.084 ( -0.963 0.482 -1.297) 1.686 2.129 ( -0.560 -0.579 -2.522) 2.648 2.143 ( -0.399 1.636 -3.096) 3.524 2.251 ( -2.665 1.185 -0.236) 2.926 2.421 ( 0.879 -1.268 2.625) 3.045 2.448 ( 1.432 2.246 2.783) 3.852 2.567 ( 0.801 0.939 0.497) 1.331 2.596 ( 0.104 -0.347 0.107) 0.377 2.879 ( 3.225 -0.901 0.911) 3.470 3.035 ( -0.225 -0.096 -0.235) 0.340 3.653 ( 1.774 0.318 -0.162) 1.809 3.778 ( -2.068 -0.305 0.086) 2.092 4.078 ( 4.314 -0.171 -0.455) 4.342 4.219 ( -1.522 0.013 -5.841) 6.036 4.423 ( -0.629 0.032 -1.937) 2.037 4.547 ( -3.207 -0.099 1.451) 3.521 4.692 ( 0.234 0.075 0.543) 0.596 4.727 ( -1.322 0.076 -1.286) 1.846 4.874 ( -0.461 0.050 4.118) 4.144 4.945 ( -2.384 0.102 3.381) 4.138 5.190 ( 2.304 0.013 1.573) 2.790 5.292 ( -1.107 -0.037 1.832) 2.141 5.482 ( -0.094 0.020 0.347) 0.361 5.498 ( -0.734 0.002 1.955) 2.088 5.707 ( 1.343 0.005 0.596) 1.469 5.759 ( -0.474 -0.006 0.451) 0.654 5.857 ( 1.208 0.027 -1.711) 2.095 5.960 ( -2.115 -0.037 -1.262) 2.463 5.999 ( 0.007 -0.027 1.666) 1.666 6.019 ( -0.396 0.009 0.674) 0.782 7.333 ( 0.751 -0.127 1.336) 1.538 7.426 ( -2.065 0.183 1.189) 2.390 9.329 ( -1.136 -0.099 0.158) 1.151 9.331 ( -1.197 0.312 0.098) 1.241 9.446 ( 1.939 0.225 0.932) 2.163 9.553 ( -0.513 -0.429 -1.198) 1.372 9.868 ( -1.755 -0.504 2.731) 3.285 9.919 ( -2.094 0.238 0.388) 2.142 ======================= Grid point 10 (8/100) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 7.365 -0.609 4.818) 8.822 0.782 ( -0.547 -1.320 5.047) 5.246 1.096 ( 7.515 -0.008 16.907) 18.502 1.249 ( -7.789 0.252 13.332) 15.443 1.452 ( 5.569 0.920 -2.458) 6.157 1.547 ( -0.835 -0.391 -2.966) 3.106 1.577 ( 3.285 0.301 -2.251) 3.994 1.614 ( 1.421 0.284 -4.176) 4.421 1.745 ( 6.136 -0.894 3.099) 6.932 1.884 ( -4.769 -0.837 2.239) 5.334 2.070 ( -0.606 -1.964 -3.117) 3.733 2.112 ( -0.406 3.503 -3.231) 4.783 2.158 ( 1.241 0.053 -2.150) 2.483 2.200 ( -2.379 1.351 -0.734) 2.833 2.434 ( 0.435 -2.101 3.088) 3.761 2.469 ( 0.680 3.313 3.478) 4.851 2.581 ( 0.572 -0.338 -0.447) 0.801 2.594 ( -0.225 -0.175 -0.560) 0.628 2.952 ( 3.930 -0.530 -0.191) 3.971 3.013 ( -2.271 -0.240 -0.411) 2.320 3.692 ( 2.288 -0.028 -0.310) 2.309 3.736 ( -2.363 -0.202 -0.207) 2.381 4.149 ( 2.984 -0.185 -1.435) 3.316 4.191 ( -1.563 0.004 -3.468) 3.804 4.430 ( 1.592 -0.045 -1.507) 2.193 4.482 ( -3.513 -0.061 -0.138) 3.516 4.694 ( 0.179 -0.013 -0.688) 0.712 4.705 ( -0.840 0.286 -1.139) 1.444 4.877 ( 0.822 0.002 4.684) 4.756 4.904 ( -1.846 0.160 4.392) 4.767 5.231 ( 2.060 -0.026 1.409) 2.496 5.266 ( -1.633 -0.044 1.556) 2.256 5.482 ( 0.120 0.029 0.886) 0.895 5.487 ( -0.430 0.029 1.423) 1.487 5.731 ( 1.122 -0.001 0.558) 1.253 5.748 ( -0.719 -0.007 0.506) 0.880 5.884 ( 1.678 0.007 -1.729) 2.409 5.920 ( -2.048 -0.004 -1.592) 2.595 6.002 ( 0.279 -0.015 1.525) 1.550 6.010 ( -0.511 0.002 1.194) 1.299 7.354 ( 1.423 -0.031 1.262) 1.902 7.386 ( -2.005 0.089 1.218) 2.348 9.313 ( -0.432 -0.023 0.131) 0.452 9.314 ( -0.558 0.118 0.017) 0.571 9.486 ( 2.243 0.103 0.600) 2.324 9.527 ( -1.974 -0.113 -0.012) 1.978 9.859 ( 0.574 -0.255 1.086) 1.254 9.882 ( -1.697 -0.126 0.508) 1.775 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 1.991 11.022) 11.200 0.611 ( 0.000 4.720 15.461) 16.166 0.921 ( 0.000 -2.141 4.646) 5.116 1.118 ( 0.000 -2.987 -5.529) 6.285 1.268 ( 0.000 -0.280 0.095) 0.295 1.301 ( 0.000 2.185 -0.718) 2.300 1.440 ( 0.000 0.484 18.382) 18.388 1.718 ( 0.000 0.350 5.438) 5.449 1.782 ( 0.000 1.213 -2.787) 3.039 1.849 ( 0.000 1.264 8.466) 8.560 1.969 ( 0.000 -0.177 -5.379) 5.382 2.096 ( 0.000 0.008 -0.344) 0.344 2.192 ( 0.000 2.638 -0.452) 2.676 2.350 ( 0.000 -0.450 1.740) 1.797 2.421 ( 0.000 0.527 -0.714) 0.888 2.436 ( 0.000 0.308 3.223) 3.238 2.554 ( 0.000 -1.336 0.229) 1.355 2.604 ( 0.000 2.485 0.590) 2.554 2.870 ( 0.000 -3.082 0.461) 3.116 3.025 ( 0.000 -0.215 -0.140) 0.257 3.609 ( 0.000 0.706 -2.360) 2.464 3.810 ( 0.000 -0.516 -2.109) 2.171 3.970 ( 0.000 -0.030 0.790) 0.791 4.089 ( 0.000 0.274 -7.567) 7.572 4.405 ( 0.000 0.360 -3.035) 3.056 4.689 ( 0.000 0.037 2.059) 2.059 4.696 ( 0.000 -0.483 1.477) 1.554 4.746 ( 0.000 -0.023 -0.391) 0.391 4.978 ( 0.000 0.315 4.684) 4.695 5.027 ( 0.000 -0.003 0.825) 0.825 5.198 ( 0.000 0.037 3.775) 3.776 5.374 ( 0.000 0.098 3.779) 3.780 5.479 ( 0.000 -0.017 -0.447) 0.447 5.579 ( 0.000 -0.174 3.191) 3.196 5.690 ( 0.000 0.004 1.057) 1.057 5.780 ( 0.000 0.014 0.662) 0.662 5.792 ( 0.000 0.127 -2.439) 2.442 5.996 ( 0.000 0.046 -0.888) 0.890 6.009 ( 0.000 -0.156 -1.090) 1.102 6.040 ( 0.000 -0.082 2.096) 2.098 7.360 ( 0.000 -0.393 2.387) 2.419 7.504 ( 0.000 0.337 1.757) 1.790 9.354 ( 0.000 0.453 -0.248) 0.517 9.387 ( 0.000 -0.166 0.205) 0.264 9.437 ( 0.000 0.336 1.758) 1.790 9.496 ( 0.000 -0.162 -0.224) 0.276 9.965 ( 0.000 -1.302 0.775) 1.516 10.007 ( 0.000 -0.585 -1.762) 1.857 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 3.668 2.864 14.186) 14.930 0.702 ( 10.241 0.574 6.950) 12.390 1.015 ( 9.233 -1.896 4.772) 10.565 1.157 ( 3.589 -1.032 -6.702) 7.672 1.315 ( 4.207 -0.425 -0.556) 4.265 1.349 ( 4.825 1.141 -1.531) 5.189 1.464 ( 3.017 0.181 13.664) 13.994 1.712 ( -0.396 0.041 7.000) 7.012 1.775 ( -1.142 1.420 2.697) 3.255 1.864 ( 1.862 0.498 4.406) 4.809 2.004 ( 3.034 0.203 -4.103) 5.107 2.093 ( -0.268 0.074 -0.224) 0.357 2.157 ( -3.146 2.579 -0.227) 4.075 2.315 ( -2.825 1.040 1.187) 3.236 2.433 ( 1.226 -0.196 -0.312) 1.281 2.464 ( 2.005 -0.514 3.204) 3.814 2.567 ( 1.097 -0.587 0.410) 1.310 2.605 ( 0.022 2.022 0.527) 2.090 2.862 ( -0.359 -2.749 0.591) 2.835 3.027 ( 0.162 -0.175 -0.333) 0.409 3.614 ( 0.537 0.487 -2.465) 2.569 3.795 ( -1.448 -0.437 -2.165) 2.641 4.002 ( 3.086 -0.128 0.478) 3.125 4.091 ( 0.168 0.220 -7.041) 7.047 4.393 ( -1.098 0.301 -2.875) 3.092 4.644 ( -3.219 -0.370 1.674) 3.647 4.713 ( 0.310 -0.013 1.404) 1.438 4.735 ( -0.997 0.085 -0.334) 1.054 4.974 ( -0.371 0.259 4.819) 4.840 5.025 ( -0.342 0.023 1.601) 1.637 5.205 ( 0.833 0.010 3.226) 3.332 5.363 ( -1.061 0.035 3.236) 3.405 5.484 ( 0.551 0.027 0.190) 0.583 5.569 ( -0.932 -0.103 3.197) 3.332 5.701 ( 0.988 0.004 1.054) 1.445 5.777 ( -0.307 0.008 0.453) 0.547 5.799 ( 0.670 0.091 -2.199) 2.300 5.969 ( -2.051 -0.077 -1.653) 2.635 6.023 ( 0.717 -0.009 -0.195) 0.743 6.039 ( -0.134 -0.072 2.050) 2.056 7.361 ( 0.175 -0.362 2.330) 2.364 7.491 ( -1.290 0.341 1.801) 2.242 9.346 ( -0.763 0.385 -0.217) 0.882 9.368 ( -1.655 -0.096 0.290) 1.683 9.447 ( 1.018 0.359 1.693) 2.008 9.514 ( 1.422 -0.340 -0.568) 1.569 9.947 ( -1.952 -1.509 0.834) 2.604 9.974 ( -2.756 0.175 -0.567) 2.819 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 5.716 0.642 11.184) 12.576 0.843 ( 4.580 -1.723 4.568) 6.694 1.194 ( 6.749 -1.112 1.553) 7.014 1.243 ( 5.679 1.712 -3.388) 6.831 1.401 ( 4.396 0.066 -1.465) 4.634 1.437 ( 3.687 0.692 -4.102) 5.559 1.560 ( 5.544 -0.876 3.197) 6.460 1.720 ( 0.484 -0.936 10.616) 10.668 1.744 ( 0.272 1.177 11.985) 12.046 1.909 ( 2.394 -0.518 0.654) 2.535 2.047 ( 0.270 1.065 -2.102) 2.371 2.086 ( -0.902 0.797 -0.266) 1.233 2.109 ( -0.356 1.602 0.377) 1.684 2.258 ( -3.216 2.832 -0.013) 4.285 2.462 ( 1.626 -1.269 1.124) 2.349 2.498 ( 1.658 -0.903 2.561) 3.182 2.584 ( 0.468 0.650 0.345) 0.872 2.600 ( -0.617 0.709 0.964) 1.346 2.877 ( 2.130 -1.820 -0.160) 2.806 3.024 ( -0.645 -0.122 -0.756) 1.001 3.631 ( 1.332 0.151 -2.790) 3.095 3.759 ( -2.350 -0.274 -2.421) 3.385 4.069 ( 3.389 -0.320 -0.322) 3.419 4.098 ( 0.653 0.136 -5.554) 5.594 4.376 ( -0.337 0.125 -2.493) 2.519 4.571 ( -4.516 -0.444 0.971) 4.640 4.706 ( -0.896 0.002 0.656) 1.111 4.716 ( -0.835 0.548 0.236) 1.026 4.969 ( -0.020 0.114 4.965) 4.966 5.013 ( -0.882 0.096 3.114) 3.238 5.229 ( 1.639 -0.047 2.264) 2.795 5.337 ( -1.666 -0.060 2.396) 2.919 5.497 ( 0.724 0.078 1.249) 1.446 5.549 ( -1.141 -0.005 3.030) 3.238 5.723 ( 1.291 0.002 1.006) 1.637 5.770 ( -0.384 -0.012 0.571) 0.688 5.816 ( 1.150 0.043 -2.253) 2.530 5.925 ( -2.439 -0.064 -2.076) 3.203 6.032 ( 0.256 0.017 0.573) 0.628 6.036 ( -0.139 -0.041 1.890) 1.896 7.368 ( 0.662 -0.248 2.198) 2.309 7.459 ( -2.028 0.308 1.895) 2.792 9.329 ( -0.980 0.201 -0.122) 1.007 9.336 ( -1.509 -0.009 0.209) 1.524 9.472 ( 1.566 0.289 1.434) 2.143 9.534 ( 0.448 -0.379 -0.499) 0.770 9.901 ( -2.270 -0.746 1.075) 2.620 9.927 ( -2.211 -0.024 0.293) 2.230 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 3.733 -2.128 6.985) 8.201 0.888 ( 0.470 -1.157 6.010) 6.139 1.279 ( 3.337 0.527 -4.053) 5.276 1.314 ( 0.788 1.660 -1.846) 2.604 1.464 ( 2.041 0.256 -2.286) 3.075 1.478 ( 0.594 0.863 -4.415) 4.538 1.621 ( 2.022 -0.459 7.478) 7.760 1.671 ( -3.025 0.488 11.274) 11.683 1.870 ( 8.194 -2.197 10.469) 13.475 1.942 ( 0.997 -1.803 1.738) 2.696 2.016 ( -2.968 0.245 -0.382) 3.003 2.062 ( -1.187 2.792 -1.233) 3.275 2.133 ( 1.599 1.216 0.816) 2.168 2.197 ( -2.752 4.217 -1.152) 5.166 2.485 ( 0.644 -1.997 2.804) 3.502 2.532 ( 1.962 -0.065 1.443) 2.436 2.570 ( -1.676 -0.319 0.353) 1.743 2.597 ( 0.137 0.697 0.792) 1.064 2.934 ( 3.438 -0.933 -1.054) 3.716 2.996 ( -2.349 -0.130 -1.036) 2.571 3.665 ( 2.171 -0.032 -2.993) 3.698 3.711 ( -2.597 -0.124 -2.782) 3.808 4.106 ( 0.737 -0.590 -3.021) 3.166 4.118 ( 0.889 0.220 -2.692) 2.844 4.398 ( 2.968 -0.140 -1.352) 3.264 4.479 ( -4.980 -0.321 -0.048) 4.990 4.691 ( -0.490 -0.074 0.329) 0.595 4.705 ( -0.342 0.918 0.568) 1.133 4.974 ( 0.455 -0.164 4.728) 4.753 4.995 ( -0.855 0.320 4.322) 4.417 5.264 ( 2.003 -0.095 1.790) 2.688 5.302 ( -1.964 -0.104 1.876) 2.718 5.511 ( 0.814 0.082 2.068) 2.224 5.528 ( -0.992 0.058 2.641) 2.822 5.746 ( 1.035 -0.010 0.907) 1.376 5.761 ( -0.610 -0.015 0.766) 0.980 5.843 ( 1.690 0.003 -2.344) 2.890 5.880 ( -2.234 -0.022 -2.295) 3.203 6.034 ( 0.004 -0.016 1.365) 1.365 6.034 ( -0.027 0.016 1.443) 1.444 7.387 ( 1.393 -0.047 2.075) 2.499 7.420 ( -1.995 0.172 1.984) 2.819 9.314 ( -0.426 0.041 -0.001) 0.428 9.316 ( -0.615 0.040 0.065) 0.620 9.503 ( 1.603 0.123 0.947) 1.866 9.528 ( -0.959 -0.133 0.222) 0.993 9.877 ( -0.181 -0.427 0.860) 0.977 9.892 ( -1.451 -0.302 0.505) 1.565 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 1.425 6.964) 7.108 0.925 ( 0.000 1.083 13.966) 14.008 0.947 ( 0.000 -1.897 -8.502) 8.711 1.024 ( 0.000 -0.732 5.340) 5.390 1.254 ( 0.000 -0.934 -0.731) 1.186 1.310 ( 0.000 0.530 0.543) 0.759 1.424 ( 0.000 0.849 -6.312) 6.368 1.761 ( 0.000 1.126 -0.447) 1.212 1.815 ( 0.000 0.703 -6.028) 6.069 1.860 ( 0.000 0.162 -5.253) 5.255 2.107 ( 0.000 0.579 14.563) 14.575 2.191 ( 0.000 0.506 2.642) 2.690 2.276 ( 0.000 2.771 9.252) 9.658 2.372 ( 0.000 -0.634 0.585) 0.863 2.413 ( 0.000 0.739 -0.131) 0.750 2.460 ( 0.000 -1.519 1.852) 2.395 2.575 ( 0.000 2.809 2.529) 3.780 2.698 ( 0.000 0.097 8.588) 8.588 2.861 ( 0.000 -3.171 0.669) 3.241 3.015 ( 0.000 -0.279 -0.611) 0.672 3.509 ( 0.000 -0.527 -8.011) 8.028 3.723 ( 0.000 -0.183 -6.545) 6.548 3.985 ( 0.000 -0.070 0.695) 0.698 3.986 ( 0.000 0.470 -3.001) 3.037 4.361 ( 0.000 0.211 -1.423) 1.439 4.705 ( 0.000 -0.528 0.075) 0.533 4.728 ( 0.000 0.055 1.762) 1.763 4.744 ( 0.000 0.120 0.022) 0.122 5.043 ( 0.000 0.004 0.730) 0.730 5.070 ( 0.000 0.393 3.981) 4.001 5.264 ( 0.000 -0.064 2.740) 2.741 5.455 ( 0.000 0.084 4.181) 4.182 5.469 ( 0.000 -0.023 -0.439) 0.439 5.645 ( 0.000 0.003 3.304) 3.304 5.713 ( 0.000 -0.003 1.140) 1.140 5.740 ( 0.000 0.075 -2.818) 2.819 5.794 ( 0.000 0.017 0.621) 0.621 5.977 ( 0.000 0.052 -1.002) 1.003 5.981 ( 0.000 -0.136 -1.506) 1.512 6.078 ( 0.000 -0.075 1.607) 1.609 7.405 ( 0.000 -0.490 2.255) 2.307 7.540 ( 0.000 0.270 1.564) 1.587 9.352 ( 0.000 0.378 -0.169) 0.414 9.388 ( 0.000 -0.166 -0.058) 0.176 9.469 ( 0.000 -0.280 1.164) 1.197 9.495 ( 0.000 0.428 0.200) 0.472 9.962 ( 0.000 -0.724 -0.865) 1.128 9.982 ( 0.000 -0.256 -0.140) 0.292 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 4.194 -0.189 4.135) 5.892 0.912 ( 0.069 0.195 5.873) 5.877 1.007 ( 5.012 -0.465 -1.734) 5.324 1.123 ( 9.370 0.046 5.375) 10.802 1.291 ( 3.279 -1.041 -1.015) 3.587 1.347 ( 3.396 0.520 0.615) 3.490 1.431 ( 1.747 0.527 -5.070) 5.388 1.780 ( 1.604 0.999 -2.121) 2.841 1.817 ( 0.621 0.408 -4.297) 4.360 1.881 ( 1.739 1.216 -4.163) 4.672 2.114 ( -0.065 0.994 10.325) 10.373 2.178 ( -1.017 -0.312 3.977) 4.117 2.258 ( -1.149 1.523 8.655) 8.863 2.352 ( -2.149 0.980 1.839) 2.993 2.432 ( 2.070 0.473 2.748) 3.473 2.485 ( 2.089 -1.876 0.602) 2.871 2.589 ( 1.228 2.580 2.011) 3.494 2.691 ( -0.756 -0.104 8.128) 8.163 2.857 ( -0.197 -2.736 0.893) 2.885 3.015 ( -0.096 -0.190 -0.712) 0.744 3.511 ( 0.257 -0.485 -8.091) 8.110 3.707 ( -1.658 -0.120 -6.688) 6.892 3.994 ( 0.941 0.316 -2.648) 2.828 4.013 ( 2.660 -0.124 0.505) 2.710 4.351 ( -0.918 0.167 -1.359) 1.648 4.662 ( -3.536 -0.498 0.474) 3.602 4.733 ( -0.774 0.066 0.287) 0.828 4.741 ( 0.185 0.257 1.066) 1.112 5.049 ( 0.433 -0.083 1.234) 1.311 5.068 ( -0.136 0.418 3.747) 3.772 5.264 ( 0.098 -0.075 2.511) 2.514 5.418 ( -2.328 -0.044 1.760) 2.918 5.504 ( 1.972 0.095 2.065) 2.857 5.635 ( -0.954 0.013 3.302) 3.437 5.723 ( 0.947 -0.001 1.121) 1.468 5.745 ( 0.445 0.050 -2.783) 2.819 5.793 ( -0.056 0.012 0.592) 0.595 5.932 ( -2.690 -0.063 -1.904) 3.296 6.015 ( 1.588 -0.007 -0.530) 1.674 6.075 ( -0.230 -0.065 1.562) 1.580 7.405 ( 0.108 -0.431 2.218) 2.262 7.529 ( -1.181 0.290 1.623) 2.028 9.345 ( -0.747 0.330 -0.149) 0.831 9.370 ( -1.598 -0.139 -0.017) 1.604 9.480 ( 0.981 -0.049 1.335) 1.657 9.507 ( 1.084 0.117 -0.095) 1.094 9.944 ( -1.739 -0.551 -0.601) 1.920 9.966 ( -1.545 -0.303 0.063) 1.576 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.107 -2.441 0.227) 2.690 0.937 ( 2.111 0.388 2.369) 3.197 1.119 ( 6.334 0.546 0.534) 6.380 1.284 ( 5.328 0.153 2.580) 5.922 1.348 ( 2.572 -0.378 -2.523) 3.622 1.394 ( 1.842 1.008 -0.354) 2.129 1.556 ( 10.618 -0.103 0.765) 10.646 1.803 ( 0.742 0.399 -6.109) 6.167 1.847 ( 2.241 0.862 0.679) 2.495 1.910 ( 1.105 1.537 -2.888) 3.453 2.083 ( -2.512 2.844 3.497) 5.161 2.169 ( -0.420 -1.712 5.420) 5.700 2.244 ( -0.497 -1.031 6.945) 7.039 2.313 ( -1.626 2.380 5.335) 6.064 2.478 ( 2.705 0.000 4.130) 4.937 2.527 ( 2.183 -1.722 1.482) 3.151 2.609 ( 0.647 2.043 1.704) 2.737 2.669 ( -1.442 -0.677 7.031) 7.209 2.867 ( 1.542 -1.494 0.745) 2.273 3.007 ( -0.923 0.011 -0.890) 1.283 3.523 ( 1.101 -0.326 -8.190) 8.271 3.664 ( -2.739 0.012 -7.053) 7.566 4.020 ( 1.739 0.059 -2.028) 2.672 4.068 ( 2.547 -0.316 0.198) 2.574 4.339 ( 0.243 0.052 -1.126) 1.153 4.580 ( -5.110 -0.495 0.266) 5.141 4.715 ( -0.970 0.111 0.379) 1.047 4.737 ( -0.499 0.614 1.088) 1.345 5.052 ( -0.042 -0.190 2.788) 2.795 5.069 ( 0.250 0.396 2.875) 2.913 5.272 ( 0.799 -0.105 1.899) 2.063 5.374 ( -2.306 -0.119 1.262) 2.631 5.537 ( 1.584 0.139 2.741) 3.169 5.613 ( -1.288 0.046 3.319) 3.560 5.744 ( 1.167 -0.009 0.998) 1.536 5.757 ( 0.848 0.002 -2.451) 2.593 5.792 ( -0.009 0.009 0.312) 0.312 5.880 ( -2.775 -0.058 -2.388) 3.662 6.039 ( 0.984 0.020 0.168) 0.999 6.070 ( -0.353 -0.040 1.420) 1.463 7.411 ( 0.587 -0.261 2.124) 2.219 7.499 ( -1.914 0.294 1.757) 2.615 9.327 ( -0.947 0.192 -0.102) 0.972 9.338 ( -1.560 -0.082 0.003) 1.562 9.501 ( 1.185 0.113 1.260) 1.734 9.527 ( 0.840 -0.139 -0.135) 0.862 9.907 ( -1.780 -0.310 0.008) 1.807 9.930 ( -2.034 -0.393 0.214) 2.082 ======================= Grid point 24 (16/100) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.266 -3.269 -2.289) 4.000 0.969 ( 0.947 0.196 0.100) 0.972 1.230 ( 5.104 0.859 2.296) 5.662 1.302 ( -2.042 0.413 1.985) 2.878 1.399 ( 1.977 0.135 -2.882) 3.497 1.423 ( 0.791 0.734 -1.213) 1.624 1.735 ( 6.809 1.037 2.005) 7.173 1.805 ( -0.989 0.835 -2.882) 3.160 1.876 ( 0.190 0.569 1.136) 1.285 1.932 ( 1.547 0.883 -3.416) 3.852 2.047 ( -0.963 0.706 2.845) 3.085 2.150 ( -1.239 2.244 0.183) 2.570 2.239 ( -0.026 -2.364 6.869) 7.264 2.291 ( -0.716 0.312 8.073) 8.110 2.522 ( 1.492 0.248 2.805) 3.187 2.566 ( 2.093 -1.626 4.549) 5.265 2.605 ( -1.300 1.064 3.487) 3.871 2.646 ( -0.694 -0.648 4.857) 4.949 2.912 ( 2.754 -0.500 -0.285) 2.813 2.977 ( -2.139 0.257 -0.801) 2.298 3.555 ( 2.270 -0.132 -8.049) 8.364 3.609 ( -2.949 0.110 -7.503) 8.063 4.056 ( 1.926 -0.284 -1.250) 2.313 4.088 ( -0.517 -0.291 -0.577) 0.827 4.379 ( 4.008 -0.158 -0.560) 4.050 4.475 ( -5.699 -0.366 -0.091) 5.711 4.701 ( -0.390 0.060 0.594) 0.713 4.728 ( -0.322 0.929 1.010) 1.410 5.051 ( -0.022 -0.293 3.088) 3.102 5.072 ( 0.042 0.411 3.162) 3.188 5.295 ( 1.668 -0.142 1.313) 2.127 5.332 ( -2.139 -0.152 1.115) 2.417 5.564 ( 1.312 0.129 3.104) 3.373 5.589 ( -1.289 0.095 3.272) 3.518 5.764 ( 0.803 -0.034 0.769) 1.112 5.771 ( 0.296 -0.021 -0.415) 0.510 5.798 ( 0.956 0.003 -1.577) 1.845 5.831 ( -2.305 -0.027 -2.600) 3.474 6.054 ( 0.572 0.017 0.740) 0.935 6.062 ( -0.406 -0.007 1.155) 1.224 7.429 ( 1.352 -0.024 2.011) 2.423 7.461 ( -1.940 0.191 1.893) 2.717 9.314 ( -0.412 0.026 -0.066) 0.419 9.316 ( -0.642 -0.004 0.003) 0.642 9.522 ( 0.919 0.053 0.851) 1.254 9.534 ( -0.139 -0.066 0.307) 0.344 9.886 ( -0.282 -0.310 0.292) 0.510 9.897 ( -1.313 -0.398 0.286) 1.401 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 -0.560 -4.074) 4.112 0.862 ( 0.000 0.802 2.150) 2.294 1.103 ( 0.000 -0.608 2.105) 2.191 1.145 ( 0.000 -0.534 7.043) 7.064 1.242 ( 0.000 -0.417 0.102) 0.429 1.320 ( 0.000 0.037 0.245) 0.248 1.334 ( 0.000 0.536 -2.809) 2.860 1.709 ( 0.000 1.452 -4.014) 4.268 1.761 ( 0.000 0.314 -0.339) 0.462 1.783 ( 0.000 0.282 -2.029) 2.048 2.205 ( 0.000 2.160 0.168) 2.167 2.253 ( 0.000 -2.564 2.136) 3.337 2.317 ( 0.000 -0.622 -1.042) 1.214 2.368 ( 0.000 -0.149 -0.295) 0.331 2.423 ( 0.000 0.212 0.450) 0.498 2.576 ( 0.000 1.891 2.737) 3.327 2.697 ( 0.000 0.541 4.782) 4.813 2.872 ( 0.000 -0.642 7.198) 7.226 2.922 ( 0.000 -0.122 7.346) 7.347 3.002 ( 0.000 -0.137 -0.382) 0.406 3.317 ( 0.000 -0.571 -9.056) 9.074 3.575 ( 0.000 -0.234 -6.304) 6.309 3.960 ( 0.000 0.203 -0.400) 0.449 3.995 ( 0.000 -0.038 0.274) 0.277 4.349 ( 0.000 0.048 -0.149) 0.157 4.701 ( 0.000 -0.196 -0.094) 0.218 4.745 ( 0.000 0.064 0.033) 0.072 4.754 ( 0.000 0.028 0.685) 0.686 5.054 ( 0.000 0.004 0.290) 0.290 5.128 ( 0.000 0.182 1.537) 1.548 5.301 ( 0.000 -0.044 0.993) 0.994 5.463 ( 0.000 -0.012 -0.185) 0.186 5.527 ( 0.000 0.034 2.505) 2.505 5.689 ( 0.000 0.017 -1.938) 1.939 5.697 ( 0.000 0.037 1.546) 1.546 5.731 ( 0.000 -0.004 0.534) 0.534 5.803 ( 0.000 0.008 0.254) 0.255 5.955 ( 0.000 -0.075 -0.882) 0.885 5.961 ( 0.000 0.025 -0.483) 0.483 6.100 ( 0.000 -0.028 0.595) 0.596 7.436 ( 0.000 -0.232 0.939) 0.967 7.564 ( 0.000 0.100 0.621) 0.629 9.352 ( 0.000 0.155 -0.049) 0.163 9.385 ( 0.000 -0.070 -0.110) 0.130 9.477 ( 0.000 -0.270 0.104) 0.289 9.508 ( 0.000 0.327 0.438) 0.547 9.943 ( 0.000 -0.153 -0.497) 0.520 9.982 ( 0.000 -0.149 0.104) 0.182 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 1.964 -0.339 -4.223) 4.670 0.857 ( 0.604 0.182 1.199) 1.354 1.143 ( 0.966 -0.560 4.988) 5.111 1.193 ( 7.348 -0.129 1.255) 7.456 1.294 ( 4.216 -0.361 2.141) 4.742 1.362 ( 3.767 0.176 -1.113) 3.932 1.378 ( 6.142 0.127 0.738) 6.188 1.678 ( -1.906 1.114 -4.812) 5.294 1.782 ( 1.420 0.265 -1.953) 2.429 1.831 ( 4.077 0.886 -0.560) 4.210 2.184 ( -2.292 2.454 0.421) 3.385 2.248 ( -0.546 -2.943 1.099) 3.188 2.296 ( -0.889 -0.415 0.531) 1.115 2.365 ( -1.411 0.258 -0.454) 1.504 2.454 ( 3.113 -0.284 -0.193) 3.132 2.588 ( 1.281 1.286 2.452) 3.051 2.698 ( 0.123 0.738 4.801) 4.859 2.870 ( -0.292 -0.648 8.280) 8.311 2.914 ( -0.584 -0.028 5.951) 5.979 3.003 ( 0.003 -0.079 -0.074) 0.109 3.320 ( 0.372 -0.491 -8.915) 8.936 3.557 ( -1.841 -0.183 -6.375) 6.638 3.971 ( 1.176 0.149 -0.338) 1.232 4.021 ( 2.496 -0.084 0.236) 2.509 4.339 ( -0.886 0.037 -0.149) 0.900 4.663 ( -3.503 -0.203 0.011) 3.509 4.737 ( -0.748 0.061 0.076) 0.755 4.760 ( 0.206 0.112 0.549) 0.597 5.063 ( 0.911 -0.023 0.371) 0.984 5.124 ( -0.353 0.178 1.505) 1.556 5.298 ( -0.203 -0.049 0.927) 0.951 5.433 ( -2.349 -0.036 0.191) 2.357 5.556 ( 2.209 0.060 2.283) 3.177 5.688 ( -0.787 0.027 1.452) 1.652 5.692 ( 0.290 0.009 -1.905) 1.928 5.741 ( 0.882 -0.001 0.518) 1.023 5.802 ( -0.071 0.005 0.259) 0.268 5.900 ( -3.249 -0.037 -1.080) 3.424 6.006 ( 2.191 -0.006 -0.313) 2.213 6.097 ( -0.296 -0.025 0.577) 0.649 7.436 ( 0.092 -0.200 0.928) 0.954 7.553 ( -1.076 0.111 0.651) 1.263 9.344 ( -0.744 0.137 -0.042) 0.758 9.367 ( -1.539 -0.066 -0.085) 1.543 9.492 ( 1.355 -0.259 0.161) 1.389 9.513 ( 0.573 0.290 0.348) 0.731 9.930 ( -1.230 -0.119 -0.372) 1.291 9.967 ( -1.514 -0.166 0.104) 1.527 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -1.885 -0.841 -2.390) 3.158 0.905 ( 2.308 0.312 -1.851) 2.974 1.202 ( 5.014 -0.515 2.787) 5.760 1.303 ( 4.058 0.364 -0.411) 4.095 1.360 ( 2.993 -0.411 3.326) 4.494 1.440 ( 3.633 0.004 4.184) 5.542 1.566 ( 9.474 0.042 -1.270) 9.559 1.662 ( 1.614 1.074 -5.716) 6.036 1.813 ( 2.353 0.381 -2.890) 3.746 1.905 ( 3.265 1.031 0.886) 3.537 2.134 ( -2.455 2.675 0.415) 3.655 2.228 ( -2.306 -1.859 0.947) 3.109 2.275 ( -1.298 -1.241 2.191) 2.833 2.338 ( -0.985 -0.051 -2.559) 2.742 2.512 ( 2.712 -0.704 0.184) 2.808 2.627 ( 2.619 0.547 1.680) 3.159 2.702 ( 0.499 0.978 5.296) 5.409 2.851 ( -1.893 -0.748 9.156) 9.380 2.915 ( 0.827 0.218 3.987) 4.077 2.998 ( -0.599 0.040 0.459) 0.756 3.336 ( 1.496 -0.282 -8.440) 8.577 3.510 ( -3.076 -0.065 -6.587) 7.270 4.002 ( 2.086 0.025 -0.202) 2.095 4.072 ( 2.239 -0.177 0.177) 2.253 4.329 ( 0.370 0.009 -0.157) 0.402 4.579 ( -5.261 -0.200 -0.006) 5.265 4.721 ( -0.783 0.066 0.165) 0.803 4.757 ( -0.471 0.270 0.495) 0.735 5.082 ( 0.825 -0.083 0.661) 1.060 5.119 ( -0.177 0.173 1.369) 1.391 5.298 ( 0.282 -0.059 0.729) 0.784 5.387 ( -2.395 -0.065 0.276) 2.412 5.596 ( 1.889 0.094 2.529) 3.158 5.669 ( -1.093 0.040 1.864) 2.161 5.704 ( 0.967 -0.030 -2.338) 2.531 5.759 ( 1.014 -0.004 0.431) 1.102 5.800 ( -0.166 0.001 0.262) 0.310 5.838 ( -3.190 -0.032 -1.466) 3.511 6.040 ( 1.497 0.006 -0.010) 1.497 6.089 ( -0.500 -0.014 0.519) 0.721 7.442 ( 0.562 -0.113 0.896) 1.064 7.526 ( -1.793 0.122 0.720) 1.937 9.327 ( -0.961 0.081 -0.031) 0.965 9.337 ( -1.513 -0.046 -0.051) 1.514 9.518 ( 1.233 -0.186 0.373) 1.301 9.527 ( 0.758 0.181 0.103) 0.786 9.904 ( -1.341 -0.082 -0.127) 1.349 9.932 ( -2.027 -0.189 0.098) 2.038 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.786 -1.257 -3.051) 3.392 0.930 ( 0.566 0.352 -1.950) 2.061 1.300 ( 4.301 -0.113 1.293) 4.492 1.346 ( 0.378 0.432 -0.259) 0.629 1.404 ( 1.340 -0.650 5.035) 5.250 1.478 ( 0.460 0.163 6.165) 6.184 1.635 ( 1.569 0.392 -8.149) 8.308 1.714 ( 0.181 0.888 -5.585) 5.658 1.918 ( 5.603 0.603 1.698) 5.885 1.954 ( 4.018 0.934 2.131) 4.643 2.097 ( -2.352 2.283 1.229) 3.501 2.148 ( -4.496 0.386 -0.530) 4.543 2.268 ( 0.131 -2.753 0.127) 2.759 2.325 ( -0.474 -1.128 -1.569) 1.990 2.552 ( 1.327 -0.248 0.569) 1.465 2.657 ( 0.324 0.691 1.173) 1.399 2.735 ( 2.981 0.092 6.493) 7.145 2.804 ( -2.919 -0.579 7.387) 7.964 2.939 ( 1.390 0.241 3.268) 3.559 2.980 ( -1.163 0.219 1.347) 1.794 3.378 ( 2.749 -0.109 -7.756) 8.230 3.447 ( -3.336 0.052 -6.941) 7.701 4.045 ( 2.236 -0.133 -0.065) 2.241 4.084 ( -0.879 -0.164 0.093) 0.899 4.372 ( 4.237 -0.067 -0.130) 4.240 4.472 ( -5.874 -0.153 -0.070) 5.877 4.711 ( -0.302 0.041 0.246) 0.391 4.748 ( -0.318 0.404 0.466) 0.694 5.091 ( 0.178 -0.130 1.018) 1.041 5.118 ( 0.070 0.171 1.189) 1.203 5.312 ( 1.275 -0.075 0.471) 1.361 5.345 ( -2.036 -0.075 0.329) 2.064 5.625 ( 1.303 0.093 2.541) 2.857 5.648 ( -1.116 0.067 2.205) 2.473 5.731 ( 1.900 -0.046 -2.225) 2.926 5.768 ( -1.123 -0.035 -0.754) 1.353 5.790 ( -0.831 -0.006 -0.793) 1.149 5.795 ( -0.388 0.003 0.233) 0.453 6.063 ( 0.959 0.007 0.234) 0.987 6.078 ( -0.662 -0.002 0.409) 0.778 7.459 ( 1.318 -0.003 0.850) 1.568 7.490 ( -1.868 0.087 0.792) 2.031 9.312 ( -0.470 -0.004 -0.040) 0.471 9.316 ( -0.576 0.003 -0.013) 0.576 9.534 ( 0.442 -0.040 0.326) 0.551 9.538 ( 0.370 0.034 0.152) 0.401 9.887 ( -0.245 -0.126 0.016) 0.276 9.899 ( -1.231 -0.162 0.102) 1.246 ======================= Grid point 70 (21/100) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 0.000 11.420) 11.420 0.582 ( 0.000 0.000 17.419) 17.419 0.935 ( 0.000 0.000 4.097) 4.097 1.139 ( 0.000 -0.000 -6.403) 6.403 1.274 ( 0.000 0.000 0.781) 0.781 1.280 ( 0.000 -0.000 -0.203) 0.203 1.436 ( 0.000 0.000 19.410) 19.410 1.717 ( 0.000 0.000 4.648) 4.648 1.775 ( 0.000 -0.000 -2.768) 2.768 1.840 ( 0.000 0.000 8.418) 8.418 1.970 ( 0.000 -0.000 -5.486) 5.486 2.096 ( 0.000 -0.000 -0.385) 0.385 2.178 ( 0.000 -0.000 -0.930) 0.930 2.353 ( 0.000 0.000 1.853) 1.853 2.417 ( 0.000 -0.000 -0.820) 0.820 2.430 ( 0.000 0.000 3.784) 3.784 2.573 ( 0.000 -0.000 -1.244) 1.244 2.580 ( 0.000 0.000 2.583) 2.583 2.889 ( 0.000 0.000 0.200) 0.200 3.026 ( 0.000 -0.000 -0.129) 0.129 3.604 ( 0.000 -0.000 -1.869) 1.869 3.813 ( 0.000 -0.000 -2.253) 2.253 3.970 ( 0.000 0.000 0.803) 0.803 4.087 ( 0.000 -0.000 -7.637) 7.637 4.403 ( 0.000 -0.000 -2.999) 2.999 4.688 ( 0.000 0.000 2.055) 2.055 4.699 ( 0.000 0.000 1.529) 1.529 4.746 ( 0.000 -0.000 -0.470) 0.470 4.976 ( 0.000 0.000 4.662) 4.662 5.027 ( 0.000 0.000 0.823) 0.823 5.198 ( 0.000 0.000 3.820) 3.820 5.373 ( 0.000 0.000 3.788) 3.788 5.479 ( 0.000 -0.000 -0.446) 0.446 5.580 ( 0.000 0.000 3.093) 3.093 5.690 ( 0.000 0.000 1.059) 1.059 5.780 ( 0.000 0.000 0.662) 0.662 5.791 ( 0.000 -0.000 -2.409) 2.409 5.996 ( 0.000 -0.000 -0.887) 0.887 6.010 ( 0.000 -0.000 -1.133) 1.133 6.041 ( 0.000 0.000 2.095) 2.095 7.362 ( 0.000 0.000 2.408) 2.408 7.502 ( 0.000 0.000 1.795) 1.795 9.351 ( 0.000 -0.000 -0.185) 0.185 9.388 ( 0.000 0.000 0.205) 0.205 9.435 ( 0.000 0.000 1.870) 1.870 9.497 ( 0.000 -0.000 -0.318) 0.318 9.974 ( 0.000 0.000 0.514) 0.514 10.011 ( 0.000 -0.000 -2.117) 2.117 ======================= Grid point 71 (22/100) ======================= q-point: ( 0.14 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 4.145 0.000 15.840) 16.373 0.698 ( 11.475 0.000 6.836) 13.357 1.029 ( 9.096 0.000 3.911) 9.901 1.164 ( 2.357 -0.000 -6.678) 7.081 1.319 ( 3.748 -0.000 -0.565) 3.791 1.341 ( 5.770 -0.000 -1.476) 5.955 1.462 ( 3.319 0.000 14.628) 15.000 1.713 ( -0.173 0.000 6.320) 6.322 1.766 ( -1.176 0.000 2.800) 3.037 1.861 ( 2.200 0.000 4.139) 4.687 2.003 ( 2.849 -0.000 -4.308) 5.165 2.093 ( -0.334 -0.000 -0.210) 0.395 2.142 ( -3.144 -0.000 -0.503) 3.184 2.308 ( -3.467 0.000 1.356) 3.723 2.435 ( 1.643 -0.000 -0.429) 1.698 2.464 ( 2.306 0.000 3.812) 4.455 2.580 ( 0.058 0.000 2.406) 2.407 2.584 ( 0.933 -0.000 -1.180) 1.505 2.879 ( -0.581 0.000 0.445) 0.732 3.028 ( 0.139 -0.000 -0.341) 0.368 3.611 ( 0.675 -0.000 -2.114) 2.219 3.798 ( -1.501 -0.000 -2.293) 2.741 4.003 ( 3.138 0.000 0.480) 3.175 4.089 ( 0.203 -0.000 -7.099) 7.102 4.392 ( -1.059 -0.000 -2.838) 3.029 4.646 ( -3.162 0.000 1.726) 3.602 4.713 ( 0.223 0.000 1.385) 1.402 4.735 ( -1.075 -0.000 -0.399) 1.147 4.972 ( -0.333 0.000 4.819) 4.830 5.024 ( -0.359 0.000 1.595) 1.634 5.205 ( 0.848 0.000 3.260) 3.369 5.363 ( -1.025 0.000 3.248) 3.406 5.484 ( 0.529 0.000 0.179) 0.559 5.570 ( -0.971 0.000 3.145) 3.291 5.701 ( 0.987 0.000 1.056) 1.445 5.777 ( -0.300 0.000 0.447) 0.538 5.799 ( 0.688 -0.000 -2.175) 2.281 5.969 ( -2.042 -0.000 -1.672) 2.639 6.023 ( 0.693 -0.000 -0.202) 0.722 6.039 ( -0.141 0.000 2.050) 2.054 7.363 ( 0.152 0.000 2.343) 2.348 7.489 ( -1.289 0.000 1.831) 2.239 9.344 ( -0.719 -0.000 -0.170) 0.739 9.369 ( -1.686 0.000 0.314) 1.716 9.445 ( 1.024 0.000 1.777) 2.051 9.516 ( 1.486 -0.000 -0.687) 1.637 9.960 ( -1.392 0.000 0.489) 1.476 9.970 ( -3.598 -0.000 -0.501) 3.633 ======================= Grid point 72 (23/100) ======================= q-point: ( 0.29 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 6.591 0.000 12.047) 13.732 0.854 ( 4.851 0.000 4.158) 6.389 1.215 ( 8.305 0.000 5.312) 9.858 1.218 ( 3.240 -0.000 -7.018) 7.730 1.400 ( 4.298 -0.000 -1.452) 4.537 1.432 ( 3.574 -0.000 -4.586) 5.814 1.565 ( 5.709 0.000 3.428) 6.659 1.727 ( -2.901 0.000 9.345) 9.785 1.736 ( 4.144 0.000 12.830) 13.483 1.914 ( 3.006 0.000 0.246) 3.016 2.038 ( -0.389 -0.000 -2.968) 2.994 2.081 ( -1.084 0.000 1.101) 1.545 2.100 ( 0.088 0.000 0.143) 0.168 2.240 ( -3.709 0.000 0.115) 3.711 2.473 ( 2.217 0.000 0.260) 2.232 2.499 ( 1.345 0.000 3.873) 4.100 2.582 ( 0.101 0.000 1.707) 1.710 2.594 ( -0.073 -0.000 -0.422) 0.428 2.888 ( 1.772 -0.000 -0.224) 1.786 3.025 ( -0.655 -0.000 -0.816) 1.046 3.630 ( 1.432 -0.000 -2.646) 3.009 3.760 ( -2.411 -0.000 -2.535) 3.499 4.071 ( 3.516 -0.000 -0.202) 3.522 4.096 ( 0.615 -0.000 -5.682) 5.715 4.375 ( -0.265 -0.000 -2.471) 2.485 4.574 ( -4.523 0.000 1.001) 4.633 4.707 ( -0.690 0.000 1.001) 1.215 4.712 ( -1.182 -0.000 -0.169) 1.194 4.969 ( 0.046 0.000 5.002) 5.002 5.012 ( -0.923 0.000 3.097) 3.231 5.230 ( 1.656 0.000 2.283) 2.821 5.337 ( -1.640 0.000 2.405) 2.912 5.496 ( 0.714 0.000 1.235) 1.427 5.549 ( -1.168 0.000 3.018) 3.236 5.723 ( 1.294 0.000 1.008) 1.640 5.770 ( -0.379 0.000 0.571) 0.686 5.816 ( 1.164 -0.000 -2.247) 2.531 5.926 ( -2.451 -0.000 -2.083) 3.217 6.032 ( 0.258 0.000 0.555) 0.612 6.036 ( -0.153 0.000 1.906) 1.912 7.370 ( 0.607 0.000 2.197) 2.279 7.457 ( -2.000 0.000 1.909) 2.765 9.327 ( -0.913 -0.000 -0.114) 0.920 9.336 ( -1.532 0.000 0.249) 1.552 9.470 ( 1.604 0.000 1.490) 2.189 9.536 ( 0.405 -0.000 -0.596) 0.721 9.906 ( -2.606 0.000 0.881) 2.751 9.927 ( -1.960 0.000 0.455) 2.012 ======================= Grid point 73 (24/100) ======================= q-point: ( 0.43 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 4.944 0.000 7.956) 9.367 0.895 ( -0.346 0.000 4.976) 4.988 1.278 ( 2.775 -0.000 -5.946) 6.561 1.301 ( 1.081 0.000 0.392) 1.150 1.462 ( 1.950 -0.000 -2.108) 2.871 1.472 ( 0.724 -0.000 -4.491) 4.549 1.624 ( 1.752 0.000 6.537) 6.768 1.667 ( -3.017 0.000 11.047) 11.452 1.885 ( 9.240 0.000 11.499) 14.751 1.962 ( 1.730 0.000 0.671) 1.855 2.012 ( -1.457 -0.000 -3.376) 3.677 2.038 ( -4.023 0.000 3.080) 5.067 2.126 ( 1.851 -0.000 -0.155) 1.858 2.172 ( -3.200 -0.000 -0.806) 3.300 2.509 ( 1.317 0.000 1.521) 2.012 2.516 ( 0.438 0.000 3.189) 3.219 2.582 ( -0.062 0.000 0.702) 0.705 2.586 ( -0.497 0.000 0.251) 0.557 2.940 ( 3.316 -0.000 -1.105) 3.495 2.997 ( -2.390 -0.000 -1.204) 2.676 3.665 ( 2.220 -0.000 -2.985) 3.720 3.712 ( -2.645 -0.000 -2.873) 3.905 4.111 ( 0.805 -0.000 -3.852) 3.935 4.115 ( 0.853 -0.000 -1.824) 2.013 4.399 ( 3.073 -0.000 -1.346) 3.354 4.481 ( -5.060 -0.000 -0.026) 5.060 4.695 ( -0.398 0.000 0.645) 0.758 4.695 ( -0.483 0.000 0.215) 0.529 4.975 ( 0.673 0.000 4.841) 4.888 4.992 ( -1.063 0.000 4.239) 4.371 5.265 ( 2.014 0.000 1.801) 2.702 5.303 ( -1.959 0.000 1.885) 2.719 5.511 ( 0.822 0.000 2.059) 2.217 5.528 ( -1.010 0.000 2.635) 2.822 5.746 ( 1.041 0.000 0.910) 1.383 5.761 ( -0.613 0.000 0.766) 0.981 5.843 ( 1.705 -0.000 -2.341) 2.896 5.881 ( -2.251 -0.000 -2.294) 3.214 6.034 ( 0.019 0.000 1.175) 1.175 6.034 ( -0.046 0.000 1.629) 1.629 7.388 ( 1.316 0.000 2.069) 2.452 7.419 ( -1.931 0.000 1.985) 2.769 9.314 ( -0.399 -0.000 -0.016) 0.400 9.316 ( -0.619 0.000 0.108) 0.629 9.502 ( 1.675 0.000 0.974) 1.938 9.529 ( -1.058 0.000 0.195) 1.076 9.880 ( -0.196 0.000 0.805) 0.828 9.893 ( -1.420 0.000 0.527) 1.514 ======================= Grid point 77 (25/100) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 0.725 7.226) 7.262 0.917 ( 0.000 0.352 15.539) 15.543 0.965 ( 0.000 -0.814 -9.719) 9.753 1.031 ( 0.000 -0.323 5.348) 5.358 1.272 ( 0.000 -1.970 0.005) 1.970 1.296 ( 0.000 1.763 0.493) 1.830 1.416 ( 0.000 0.411 -6.628) 6.640 1.751 ( 0.000 0.458 -0.103) 0.469 1.811 ( 0.000 0.108 -6.869) 6.870 1.858 ( 0.000 0.101 -5.424) 5.425 2.093 ( 0.000 1.003 11.732) 11.775 2.204 ( 0.000 -2.127 7.122) 7.433 2.241 ( 0.000 2.953 10.893) 11.286 2.383 ( 0.000 -1.042 0.954) 1.413 2.401 ( 0.000 1.061 -0.478) 1.164 2.485 ( 0.000 -2.173 1.584) 2.689 2.541 ( 0.000 2.437 0.453) 2.479 2.696 ( 0.000 0.110 9.403) 9.404 2.888 ( 0.000 -1.231 0.005) 1.231 3.017 ( 0.000 -0.112 -0.645) 0.654 3.513 ( 0.000 -0.145 -7.709) 7.711 3.725 ( 0.000 -0.124 -6.605) 6.606 3.981 ( 0.000 0.224 -2.950) 2.959 3.986 ( 0.000 -0.027 0.693) 0.693 4.359 ( 0.000 0.075 -1.308) 1.310 4.710 ( 0.000 -0.241 -0.060) 0.249 4.728 ( 0.000 0.021 1.768) 1.768 4.742 ( 0.000 0.075 0.012) 0.076 5.043 ( 0.000 0.002 0.728) 0.728 5.067 ( 0.000 0.151 4.052) 4.055 5.264 ( 0.000 -0.026 2.749) 2.749 5.455 ( 0.000 0.039 4.207) 4.207 5.470 ( 0.000 -0.009 -0.440) 0.441 5.645 ( 0.000 -0.002 3.255) 3.255 5.713 ( 0.000 -0.001 1.143) 1.143 5.740 ( 0.000 0.032 -2.784) 2.784 5.794 ( 0.000 0.007 0.623) 0.623 5.976 ( 0.000 0.021 -0.994) 0.994 5.983 ( 0.000 -0.055 -1.523) 1.524 6.078 ( 0.000 -0.029 1.586) 1.586 7.409 ( 0.000 -0.212 2.191) 2.202 7.538 ( 0.000 0.125 1.637) 1.642 9.349 ( 0.000 0.147 -0.070) 0.162 9.389 ( 0.000 -0.063 -0.099) 0.117 9.472 ( 0.000 -0.163 1.702) 1.710 9.491 ( 0.000 0.221 -0.297) 0.371 9.969 ( 0.000 -0.470 -1.548) 1.618 9.983 ( 0.000 0.067 0.118) 0.136 ======================= Grid point 78 (26/100) ======================= q-point: ( 0.14 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 5.603 0.040 3.758) 6.746 0.910 ( -0.094 0.104 8.216) 8.217 1.013 ( 4.458 -0.340 -3.174) 5.483 1.123 ( 8.894 -0.007 5.140) 10.272 1.309 ( 3.172 -1.692 -0.162) 3.599 1.334 ( 3.279 1.482 0.229) 3.606 1.426 ( 2.215 0.253 -5.330) 5.778 1.771 ( 1.800 0.395 -1.608) 2.446 1.818 ( 0.835 -0.271 -5.038) 5.113 1.867 ( 0.922 0.821 -4.317) 4.490 2.095 ( -0.783 1.168 6.412) 6.564 2.199 ( -0.128 -2.548 8.602) 8.972 2.233 ( -0.039 2.555 11.384) 11.668 2.346 ( -3.279 0.162 2.056) 3.874 2.427 ( 2.492 0.217 1.295) 2.817 2.512 ( 2.056 -2.465 0.953) 3.348 2.556 ( 1.396 2.643 0.143) 2.992 2.691 ( -0.576 0.041 9.046) 9.065 2.881 ( -0.571 -1.090 0.168) 1.242 3.016 ( -0.179 -0.066 -0.748) 0.772 3.515 ( 0.229 -0.143 -7.852) 7.857 3.708 ( -1.723 -0.087 -6.743) 6.960 3.991 ( 1.039 0.153 -2.674) 2.873 4.014 ( 2.743 -0.046 0.558) 2.799 4.349 ( -0.880 0.058 -1.264) 1.542 4.667 ( -3.517 -0.223 0.389) 3.546 4.733 ( -0.845 -0.007 0.172) 0.863 4.738 ( 0.082 0.159 1.167) 1.181 5.050 ( 0.601 -0.101 1.090) 1.249 5.063 ( -0.248 0.226 3.953) 3.967 5.265 ( 0.109 -0.031 2.518) 2.520 5.418 ( -2.285 -0.014 1.790) 2.903 5.503 ( 1.940 0.039 2.051) 2.824 5.635 ( -0.964 0.003 3.267) 3.406 5.723 ( 0.948 -0.001 1.127) 1.473 5.744 ( 0.465 0.022 -2.761) 2.800 5.793 ( -0.053 0.005 0.596) 0.598 5.933 ( -2.683 -0.025 -1.913) 3.295 6.015 ( 1.569 -0.004 -0.529) 1.655 6.076 ( -0.239 -0.025 1.543) 1.562 7.409 ( 0.053 -0.187 2.156) 2.165 7.526 ( -1.192 0.132 1.697) 2.078 9.342 ( -0.703 0.128 -0.065) 0.718 9.371 ( -1.620 -0.054 -0.040) 1.621 9.481 ( 0.836 -0.015 1.670) 1.868 9.506 ( 1.288 0.042 -0.422) 1.356 9.949 ( -1.917 -0.313 -1.058) 2.212 9.968 ( -1.463 -0.034 0.198) 1.477 ======================= Grid point 79 (27/100) ======================= q-point: ( 0.29 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.444 -2.414 -0.108) 3.437 0.923 ( 1.502 1.659 2.096) 3.066 1.115 ( 5.977 0.096 1.182) 6.093 1.282 ( 5.693 0.057 2.431) 6.190 1.356 ( 1.294 -0.765 -1.985) 2.490 1.381 ( 2.512 1.035 -0.346) 2.738 1.556 ( 10.290 0.030 0.425) 10.298 1.802 ( 1.053 -0.060 -5.618) 5.716 1.843 ( 1.800 -0.125 0.347) 1.838 1.893 ( 1.719 1.105 -3.640) 4.174 2.054 ( -2.714 1.520 2.273) 3.853 2.189 ( -1.803 -1.236 4.832) 5.303 2.253 ( 1.547 -0.199 12.266) 12.365 2.292 ( -1.682 0.931 5.249) 5.590 2.479 ( 2.851 -0.109 3.478) 4.498 2.548 ( 1.504 -1.624 1.195) 2.515 2.584 ( 1.352 1.886 -0.104) 2.322 2.674 ( -1.226 -0.143 8.064) 8.158 2.881 ( 0.943 -0.665 0.111) 1.159 3.006 ( -1.040 0.030 -0.944) 1.405 3.525 ( 1.022 -0.111 -8.069) 8.135 3.665 ( -2.811 -0.012 -7.099) 7.636 4.019 ( 1.892 0.029 -2.036) 2.779 4.071 ( 2.605 -0.111 0.189) 2.614 4.339 ( 0.312 0.014 -1.087) 1.131 4.584 ( -5.146 -0.212 0.158) 5.153 4.715 ( -0.867 -0.119 0.429) 0.974 4.730 ( -0.769 0.427 1.139) 1.439 5.056 ( -0.015 -0.441 3.223) 3.253 5.064 ( 0.283 0.511 2.491) 2.559 5.272 ( 0.816 -0.043 1.897) 2.065 5.375 ( -2.279 -0.045 1.261) 2.605 5.536 ( 1.576 0.056 2.745) 3.166 5.613 ( -1.308 0.017 3.305) 3.555 5.744 ( 1.176 -0.006 1.020) 1.556 5.757 ( 0.869 0.003 -2.465) 2.613 5.792 ( -0.010 0.004 0.324) 0.324 5.880 ( -2.785 -0.023 -2.399) 3.676 6.039 ( 0.979 0.007 0.175) 0.995 6.070 ( -0.367 -0.015 1.407) 1.455 7.414 ( 0.486 -0.116 2.075) 2.134 7.496 ( -1.893 0.128 1.821) 2.630 9.326 ( -0.872 0.074 -0.052) 0.876 9.339 ( -1.588 -0.032 -0.001) 1.589 9.500 ( 1.176 0.042 1.400) 1.829 9.528 ( 0.866 -0.053 -0.293) 0.916 9.910 ( -1.857 -0.157 -0.169) 1.871 9.933 ( -1.991 -0.123 0.199) 2.004 ======================= Grid point 80 (28/100) ======================= q-point: ( 0.43 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.593 -4.042 -2.201) 4.640 0.950 ( 0.867 2.853 -1.259) 3.237 1.224 ( 5.177 0.232 3.087) 6.032 1.299 ( -2.449 0.143 2.465) 3.478 1.399 ( 2.157 -0.008 -2.388) 3.218 1.415 ( 0.706 0.430 -1.482) 1.697 1.726 ( 6.424 0.499 2.191) 6.806 1.798 ( -1.730 0.267 -1.796) 2.508 1.879 ( 1.692 -0.746 -0.528) 1.923 1.918 ( 0.157 1.086 -3.661) 3.822 2.038 ( 2.162 0.601 1.081) 2.491 2.126 ( -4.368 1.184 0.356) 4.539 2.270 ( 0.445 -2.193 9.828) 10.079 2.286 ( 0.232 0.716 9.947) 9.976 2.526 ( 1.809 -0.751 2.564) 3.227 2.563 ( 0.008 1.421 2.089) 2.526 2.608 ( 1.233 -1.002 2.998) 3.393 2.647 ( -1.425 0.260 6.075) 6.245 2.918 ( 2.728 -0.375 -0.558) 2.809 2.973 ( -2.431 0.218 -0.965) 2.625 3.556 ( 2.263 -0.070 -7.989) 8.303 3.608 ( -3.024 0.057 -7.562) 8.145 4.059 ( 2.147 -0.132 -1.311) 2.519 4.090 ( -0.664 -0.082 -0.571) 0.879 4.380 ( 4.127 -0.069 -0.593) 4.170 4.479 ( -5.792 -0.151 -0.167) 5.796 4.704 ( -0.261 -0.502 0.753) 0.942 4.716 ( -0.513 0.911 1.019) 1.459 5.057 ( 0.075 -0.561 3.264) 3.312 5.066 ( -0.033 0.593 3.034) 3.091 5.296 ( 1.682 -0.056 1.302) 2.128 5.333 ( -2.135 -0.059 1.100) 2.402 5.563 ( 1.333 0.050 3.109) 3.383 5.588 ( -1.318 0.039 3.271) 3.527 5.764 ( 0.830 -0.020 0.811) 1.160 5.771 ( 0.272 -0.001 -0.439) 0.517 5.798 ( 0.979 -0.001 -1.584) 1.862 5.831 ( -2.327 -0.009 -2.604) 3.492 6.053 ( 0.579 0.007 0.743) 0.942 6.062 ( -0.420 -0.003 1.152) 1.226 7.430 ( 1.235 -0.015 1.997) 2.348 7.459 ( -1.858 0.080 1.925) 2.677 9.313 ( -0.336 0.009 -0.034) 0.338 9.316 ( -0.693 -0.001 -0.006) 0.693 9.522 ( 0.989 0.015 0.905) 1.340 9.534 ( -0.223 -0.021 0.251) 0.336 9.889 ( -0.252 -0.132 0.201) 0.348 9.900 ( -1.327 -0.146 0.208) 1.351 ======================= Grid point 84 (29/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 -1.106 -4.432) 4.567 0.845 ( 0.000 1.740 2.249) 2.844 1.111 ( 0.000 -0.603 2.064) 2.151 1.156 ( 0.000 -1.029 7.260) 7.332 1.257 ( 0.000 -2.070 -0.013) 2.070 1.311 ( 0.000 1.532 -0.047) 1.533 1.327 ( 0.000 0.578 -2.208) 2.283 1.691 ( 0.000 1.237 -3.604) 3.810 1.759 ( 0.000 0.097 0.288) 0.304 1.779 ( 0.000 0.416 -2.129) 2.169 2.174 ( 0.000 2.271 1.203) 2.570 2.287 ( 0.000 -2.462 1.748) 3.019 2.328 ( 0.000 -0.940 -2.071) 2.275 2.374 ( 0.000 -0.745 -0.309) 0.807 2.417 ( 0.000 0.730 0.545) 0.911 2.554 ( 0.000 1.549 3.153) 3.513 2.689 ( 0.000 0.761 7.642) 7.680 2.885 ( 0.000 -1.468 5.367) 5.565 2.918 ( 0.000 0.774 6.941) 6.984 3.004 ( 0.000 -0.098 -0.509) 0.518 3.323 ( 0.000 -0.337 -9.443) 9.449 3.578 ( 0.000 -0.214 -6.363) 6.367 3.957 ( 0.000 0.174 -0.200) 0.265 3.995 ( 0.000 -0.025 0.238) 0.239 4.348 ( 0.000 0.027 -0.093) 0.096 4.703 ( 0.000 -0.135 -0.312) 0.340 4.744 ( 0.000 0.045 0.106) 0.115 4.753 ( 0.000 0.017 0.713) 0.713 5.054 ( 0.000 0.004 0.292) 0.292 5.127 ( 0.000 0.100 1.726) 1.729 5.301 ( 0.000 -0.013 0.943) 0.943 5.463 ( 0.000 -0.008 -0.197) 0.197 5.527 ( 0.000 0.022 2.540) 2.540 5.689 ( 0.000 0.007 -1.929) 1.929 5.697 ( 0.000 0.027 1.585) 1.585 5.731 ( 0.000 -0.003 0.531) 0.531 5.803 ( 0.000 0.006 0.262) 0.262 5.955 ( 0.000 -0.051 -0.949) 0.950 5.961 ( 0.000 0.016 -0.459) 0.459 6.100 ( 0.000 -0.018 0.566) 0.566 7.438 ( 0.000 -0.173 0.716) 0.737 7.563 ( 0.000 0.087 0.722) 0.727 9.350 ( 0.000 0.103 0.102) 0.145 9.385 ( 0.000 -0.046 -0.176) 0.182 9.480 ( 0.000 -0.231 -0.240) 0.334 9.504 ( 0.000 0.268 0.842) 0.883 9.945 ( 0.000 -0.136 -0.680) 0.693 9.984 ( 0.000 -0.068 -0.042) 0.080 ======================= Grid point 85 (30/100) ======================= q-point: ( 0.14 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 1.981 -0.372 -4.551) 4.977 0.853 ( 0.944 0.462 1.135) 1.547 1.153 ( 0.942 -0.850 5.010) 5.168 1.193 ( 6.798 0.079 1.278) 6.917 1.309 ( 3.969 -1.999 1.937) 4.847 1.356 ( 3.637 0.856 -0.041) 3.737 1.372 ( 6.880 0.773 0.198) 6.926 1.665 ( -1.751 0.920 -4.586) 4.994 1.782 ( 1.176 -0.186 -1.946) 2.282 1.818 ( 3.906 1.264 0.237) 4.112 2.155 ( -2.206 1.986 1.607) 3.376 2.282 ( -0.628 -2.372 0.398) 2.486 2.304 ( -0.579 -0.505 -0.259) 0.811 2.367 ( -2.515 -0.454 0.140) 2.560 2.454 ( 4.091 0.303 -0.864) 4.192 2.573 ( 1.724 0.913 2.730) 3.356 2.688 ( -0.052 0.896 7.410) 7.464 2.883 ( -0.398 -1.296 6.909) 7.041 2.910 ( -0.566 0.661 5.430) 5.499 3.004 ( -0.070 -0.019 -0.215) 0.227 3.325 ( 0.300 -0.302 -9.253) 9.263 3.560 ( -1.903 -0.169 -6.403) 6.682 3.969 ( 1.242 0.116 -0.186) 1.261 4.021 ( 2.533 -0.037 0.148) 2.538 4.339 ( -0.875 0.019 -0.105) 0.882 4.665 ( -3.496 -0.145 -0.207) 3.505 4.737 ( -0.701 -0.051 0.185) 0.727 4.758 ( 0.072 0.179 0.612) 0.641 5.064 ( 0.967 -0.047 0.357) 1.032 5.122 ( -0.377 0.129 1.681) 1.728 5.299 ( -0.194 -0.023 0.877) 0.899 5.433 ( -2.331 -0.024 0.158) 2.336 5.555 ( 2.188 0.040 2.336) 3.201 5.687 ( -0.817 0.010 1.589) 1.787 5.692 ( 0.336 0.013 -2.005) 2.033 5.741 ( 0.881 -0.002 0.518) 1.023 5.802 ( -0.069 0.005 0.263) 0.272 5.900 ( -3.250 -0.024 -1.111) 3.435 6.006 ( 2.183 -0.005 -0.318) 2.206 6.097 ( -0.300 -0.015 0.551) 0.628 7.438 ( 0.056 -0.150 0.735) 0.752 7.552 ( -1.085 0.092 0.763) 1.329 9.343 ( -0.723 0.091 0.090) 0.734 9.368 ( -1.546 -0.044 -0.146) 1.553 9.495 ( 1.339 -0.223 -0.182) 1.370 9.510 ( 0.613 0.243 0.723) 0.979 9.932 ( -1.262 -0.111 -0.511) 1.366 9.969 ( -1.499 -0.080 -0.062) 1.502 ======================= Grid point 86 (31/100) ======================= q-point: ( 0.29 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -1.054 -2.452 -2.748) 3.830 0.888 ( 1.652 2.277 -2.257) 3.607 1.211 ( 4.862 -0.767 2.829) 5.677 1.297 ( 3.922 0.465 -0.188) 3.954 1.373 ( 3.139 -1.446 3.060) 4.616 1.435 ( 3.683 0.789 4.950) 6.220 1.569 ( 10.027 -0.596 -0.567) 10.060 1.646 ( 0.772 1.482 -6.421) 6.635 1.808 ( 2.382 0.307 -2.692) 3.608 1.894 ( 3.625 0.850 1.801) 4.136 2.100 ( -2.991 2.335 1.597) 4.117 2.248 ( -4.141 -1.115 2.112) 4.780 2.299 ( 0.240 -2.296 -0.474) 2.356 2.336 ( -0.048 0.333 -2.061) 2.088 2.526 ( 2.946 -1.447 -0.569) 3.332 2.611 ( 2.088 1.871 1.452) 3.157 2.692 ( 0.914 0.611 7.452) 7.533 2.860 ( -2.030 -0.690 8.267) 8.541 2.912 ( 0.903 0.172 3.617) 3.732 2.998 ( -0.684 0.084 0.444) 0.819 3.340 ( 1.392 -0.208 -8.634) 8.748 3.511 ( -3.164 -0.058 -6.561) 7.284 4.002 ( 2.175 0.005 -0.162) 2.181 4.073 ( 2.269 -0.077 -0.011) 2.270 4.328 ( 0.392 0.001 -0.146) 0.418 4.581 ( -5.278 -0.137 -0.218) 5.284 4.723 ( -0.678 -0.260 0.354) 0.808 4.752 ( -0.660 0.502 0.634) 1.044 5.084 ( 0.954 -0.238 0.619) 1.162 5.116 ( -0.268 0.270 1.512) 1.559 5.298 ( 0.293 -0.040 0.675) 0.737 5.388 ( -2.384 -0.043 0.215) 2.394 5.595 ( 1.877 0.061 2.596) 3.204 5.669 ( -1.103 0.026 1.898) 2.196 5.704 ( 0.985 -0.019 -2.344) 2.543 5.759 ( 1.020 -0.005 0.431) 1.107 5.800 ( -0.166 0.004 0.261) 0.309 5.838 ( -3.195 -0.020 -1.493) 3.527 6.040 ( 1.493 0.003 -0.003) 1.493 6.089 ( -0.507 -0.009 0.503) 0.715 7.443 ( 0.502 -0.087 0.785) 0.936 7.524 ( -1.787 0.092 0.842) 1.977 9.326 ( -0.915 0.048 0.051) 0.917 9.337 ( -1.536 -0.025 -0.096) 1.539 9.520 ( 1.145 -0.183 0.254) 1.188 9.525 ( 0.855 0.179 0.216) 0.900 9.905 ( -1.344 -0.082 -0.213) 1.363 9.934 ( -2.022 -0.097 -0.095) 2.027 ======================= Grid point 87 (32/100) ======================= q-point: ( 0.43 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.497 -3.768 -3.402) 5.101 0.906 ( 0.406 3.403 -2.746) 4.391 1.303 ( 3.917 -0.259 1.385) 4.163 1.340 ( 0.434 0.499 0.035) 0.663 1.423 ( 1.763 -2.102 5.534) 6.177 1.473 ( 0.404 0.649 7.094) 7.135 1.635 ( 1.473 -0.511 -8.606) 8.746 1.693 ( 0.067 2.333 -5.638) 6.102 1.917 ( 6.136 -0.185 2.569) 6.654 1.947 ( 3.161 0.213 3.129) 4.453 2.062 ( -0.493 2.965 0.680) 3.081 2.140 ( -6.588 0.584 0.540) 6.636 2.311 ( 0.678 -3.560 -1.039) 3.770 2.338 ( -0.043 -0.937 -1.908) 2.126 2.561 ( 0.980 -1.403 0.704) 1.850 2.632 ( 0.114 3.180 1.171) 3.390 2.738 ( 3.594 -0.414 6.700) 7.615 2.810 ( -3.193 -0.402 6.881) 7.596 2.938 ( 1.602 -0.127 3.183) 3.566 2.977 ( -1.412 0.326 1.542) 2.116 3.380 ( 2.822 -0.199 -7.742) 8.243 3.446 ( -3.501 0.119 -6.927) 7.763 4.047 ( 2.388 -0.148 -0.154) 2.397 4.085 ( -0.992 -0.027 -0.107) 0.999 4.373 ( 4.289 -0.043 -0.201) 4.294 4.473 ( -5.914 -0.099 -0.231) 5.919 4.714 ( -0.209 -0.608 0.495) 0.811 4.740 ( -0.442 0.925 0.651) 1.214 5.095 ( 0.247 -0.574 1.033) 1.207 5.114 ( 0.017 0.568 1.232) 1.357 5.313 ( 1.291 -0.059 0.409) 1.355 5.346 ( -2.043 -0.047 0.254) 2.059 5.625 ( 1.322 0.056 2.605) 2.922 5.647 ( -1.140 0.048 2.253) 2.525 5.731 ( 1.901 -0.031 -2.241) 2.939 5.769 ( -1.098 -0.028 -0.766) 1.339 5.790 ( -0.845 -0.005 -0.799) 1.163 5.795 ( -0.398 0.012 0.229) 0.459 6.063 ( 0.961 0.004 0.241) 0.991 6.078 ( -0.669 -0.001 0.407) 0.783 7.459 ( 1.256 -0.007 0.846) 1.514 7.489 ( -1.829 0.061 0.877) 2.029 9.313 ( -0.411 -0.040 -0.016) 0.413 9.316 ( -0.622 0.038 -0.038) 0.624 9.535 ( 0.426 -0.072 0.360) 0.562 9.538 ( 0.381 0.069 0.111) 0.403 9.889 ( -0.186 -0.113 -0.089) 0.235 9.901 ( -1.280 -0.077 -0.085) 1.285 ======================= Grid point 91 (33/100) ======================= q-point: ( 0.00 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 -0.106 3.855) 3.856 0.861 ( 0.000 0.800 -2.078) 2.226 1.100 ( 0.000 -0.210 -2.401) 2.410 1.145 ( 0.000 -0.327 -7.093) 7.101 1.247 ( 0.000 -1.155 -0.169) 1.168 1.313 ( 0.000 1.290 -0.558) 1.406 1.340 ( 0.000 -0.371 3.349) 3.370 1.723 ( 0.000 -0.843 5.339) 5.405 1.766 ( 0.000 -0.463 0.830) 0.950 1.784 ( 0.000 0.140 2.126) 2.131 2.190 ( 0.000 3.274 -1.547) 3.621 2.261 ( 0.000 -2.570 -0.941) 2.736 2.317 ( 0.000 -0.499 0.440) 0.665 2.372 ( 0.000 -0.689 0.394) 0.794 2.421 ( 0.000 0.545 -0.452) 0.708 2.591 ( 0.000 -0.439 -0.872) 0.976 2.704 ( 0.000 -0.739 -3.414) 3.493 2.871 ( 0.000 -0.446 -8.943) 8.954 2.915 ( 0.000 0.979 -7.685) 7.747 3.001 ( 0.000 0.108 0.234) 0.257 3.310 ( 0.000 0.552 8.550) 8.567 3.573 ( 0.000 0.115 6.238) 6.239 3.962 ( 0.000 -0.117 0.606) 0.617 3.994 ( 0.000 0.034 -0.316) 0.318 4.349 ( 0.000 -0.048 0.219) 0.225 4.699 ( 0.000 0.163 -0.120) 0.202 4.746 ( 0.000 -0.052 0.021) 0.056 4.754 ( 0.000 -0.026 -0.654) 0.655 5.054 ( 0.000 -0.001 -0.286) 0.286 5.131 ( 0.000 -0.190 -1.324) 1.338 5.300 ( 0.000 0.064 -1.045) 1.047 5.463 ( 0.000 0.011 0.172) 0.173 5.527 ( 0.000 -0.030 -2.470) 2.470 5.689 ( 0.000 -0.021 1.970) 1.970 5.697 ( 0.000 -0.028 -1.520) 1.521 5.731 ( 0.000 0.003 -0.538) 0.538 5.803 ( 0.000 -0.006 -0.246) 0.246 5.954 ( 0.000 0.063 0.806) 0.808 5.961 ( 0.000 -0.022 0.510) 0.510 6.099 ( 0.000 0.026 -0.629) 0.630 7.433 ( 0.000 0.174 -1.181) 1.194 7.565 ( 0.000 -0.057 -0.520) 0.523 9.353 ( 0.000 -0.134 0.232) 0.268 9.384 ( 0.000 0.061 0.026) 0.066 9.474 ( 0.000 0.193 -0.340) 0.391 9.511 ( 0.000 -0.244 -0.135) 0.279 9.941 ( 0.000 0.079 0.336) 0.345 9.980 ( 0.000 0.176 -0.309) 0.355 ======================= Grid point 92 (34/100) ======================= q-point: ( 0.14 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 2.196 0.111 3.926) 4.500 0.856 ( 0.278 0.335 -1.288) 1.360 1.141 ( 0.855 -0.068 -5.199) 5.270 1.191 ( 7.370 0.200 -1.333) 7.492 1.301 ( 4.391 -1.454 -2.142) 5.097 1.360 ( 3.829 0.501 0.331) 3.876 1.376 ( 5.944 0.456 0.216) 5.965 1.689 ( -1.950 -0.795 5.724) 6.099 1.786 ( 1.360 -0.400 2.489) 2.864 1.836 ( 4.291 0.035 1.164) 4.446 2.187 ( -1.017 2.076 -0.185) 2.319 2.237 ( -1.441 -1.273 -1.490) 2.433 2.299 ( -1.077 -0.930 -0.987) 1.732 2.372 ( -1.471 -0.718 0.838) 1.838 2.447 ( 2.991 0.928 -0.283) 3.145 2.599 ( 0.871 -0.459 -1.057) 1.444 2.706 ( 0.229 -0.650 -3.410) 3.479 2.868 ( -0.516 -0.171 -9.923) 9.938 2.910 ( -0.264 0.603 -6.133) 6.168 3.002 ( 0.039 0.114 -0.009) 0.121 3.314 ( 0.488 0.452 8.470) 8.496 3.556 ( -1.795 0.088 6.341) 6.590 3.972 ( 1.134 -0.107 0.496) 1.242 4.020 ( 2.429 0.105 -0.336) 2.454 4.339 ( -0.899 -0.039 0.204) 0.922 4.661 ( -3.510 0.160 -0.228) 3.521 4.738 ( -0.675 -0.184 0.018) 0.700 4.761 ( 0.218 0.055 -0.474) 0.524 5.063 ( 0.917 -0.025 -0.379) 0.993 5.126 ( -0.391 -0.143 -1.313) 1.378 5.298 ( -0.202 0.058 -0.982) 1.004 5.432 ( -2.369 0.031 -0.229) 2.380 5.557 ( 2.232 -0.052 -2.226) 3.152 5.688 ( -0.789 -0.039 -1.433) 1.636 5.692 ( 0.275 0.006 1.931) 1.950 5.741 ( 0.884 -0.001 -0.519) 1.025 5.802 ( -0.074 -0.003 -0.253) 0.264 5.899 ( -3.249 0.032 1.044) 3.413 6.006 ( 2.199 0.004 0.309) 2.221 6.096 ( -0.292 0.023 -0.607) 0.674 7.434 ( 0.128 0.149 -1.136) 1.153 7.555 ( -1.062 -0.070 -0.536) 1.192 9.346 ( -0.765 -0.119 0.204) 0.801 9.367 ( -1.533 0.056 0.009) 1.534 9.489 ( 1.367 0.194 -0.364) 1.427 9.516 ( 0.535 -0.223 -0.110) 0.590 9.929 ( -1.199 0.051 0.254) 1.226 9.965 ( -1.532 0.192 -0.327) 1.579 ======================= Grid point 93 (35/100) ======================= q-point: ( 0.29 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.764 -1.194 1.905) 2.858 0.894 ( 1.869 1.951 1.521) 3.101 1.201 ( 5.209 -0.247 -2.924) 5.979 1.303 ( 4.226 0.392 0.314) 4.255 1.367 ( 2.898 -1.473 -2.960) 4.397 1.435 ( 3.613 0.841 -3.895) 5.379 1.570 ( 10.257 -0.577 0.762) 10.301 1.670 ( 0.837 -0.230 6.887) 6.941 1.816 ( 2.359 -0.127 3.231) 4.002 1.916 ( 3.655 -0.631 0.100) 3.710 2.142 ( -2.778 1.346 1.147) 3.293 2.226 ( -1.365 -1.743 -1.678) 2.778 2.270 ( -1.632 -0.119 -3.405) 3.778 2.336 ( -1.643 0.158 2.804) 3.254 2.508 ( 3.087 0.116 -0.804) 3.192 2.624 ( 1.651 0.836 -1.507) 2.386 2.713 ( 0.702 -0.854 -3.748) 3.908 2.844 ( -1.991 0.413 -10.049) 10.252 2.917 ( 1.039 -0.154 -4.318) 4.444 2.998 ( -0.514 0.040 -0.421) 0.666 3.333 ( 1.669 0.201 8.169) 8.340 3.509 ( -3.023 0.036 6.619) 7.277 4.003 ( 2.012 -0.045 0.237) 2.027 4.069 ( 2.185 0.221 -0.387) 2.230 4.329 ( 0.342 -0.014 0.174) 0.384 4.577 ( -5.251 0.166 -0.214) 5.258 4.724 ( -0.692 -0.437 0.012) 0.819 4.757 ( -0.471 0.179 -0.318) 0.596 5.082 ( 0.883 -0.162 -0.662) 1.116 5.119 ( -0.272 0.041 -1.251) 1.281 5.297 ( 0.279 0.049 -0.792) 0.841 5.387 ( -2.409 0.055 -0.346) 2.434 5.597 ( 1.904 -0.084 -2.454) 3.107 5.670 ( -1.084 -0.036 -1.829) 2.126 5.703 ( 0.948 0.027 2.336) 2.522 5.759 ( 1.009 0.000 -0.434) 1.099 5.800 ( -0.169 0.003 -0.261) 0.311 5.838 ( -3.185 0.028 1.435) 3.493 6.040 ( 1.501 -0.006 0.018) 1.501 6.089 ( -0.493 0.013 -0.536) 0.728 7.440 ( 0.623 0.081 -1.014) 1.193 7.527 ( -1.793 -0.089 -0.591) 1.890 9.328 ( -0.999 -0.083 0.130) 1.010 9.336 ( -1.502 0.053 -0.004) 1.503 9.516 ( 1.308 0.146 -0.419) 1.382 9.529 ( 0.671 -0.143 -0.064) 0.689 9.903 ( -1.341 0.022 0.056) 1.342 9.929 ( -2.031 0.213 -0.344) 2.071 ======================= Grid point 94 (36/100) ======================= q-point: ( 0.43 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.752 -1.824 2.398) 3.105 0.914 ( 0.399 2.938 1.382) 3.271 1.301 ( 4.331 -0.261 -1.154) 4.490 1.347 ( 0.324 0.295 0.417) 0.604 1.411 ( 1.491 -1.791 -5.033) 5.546 1.477 ( 0.763 0.391 -5.903) 5.965 1.643 ( 1.265 -1.022 8.556) 8.709 1.712 ( 0.115 1.174 6.185) 6.297 1.931 ( 7.319 -1.402 -1.122) 7.536 1.969 ( 3.360 -1.507 -1.006) 3.817 2.102 ( -2.049 2.002 0.428) 2.897 2.140 ( -5.918 0.917 -0.118) 5.990 2.267 ( 0.357 -2.145 -1.210) 2.488 2.316 ( -0.549 0.245 0.867) 1.055 2.553 ( 1.453 -0.467 -0.776) 1.712 2.646 ( 0.447 2.312 -1.478) 2.780 2.741 ( 2.222 -0.733 -5.849) 6.299 2.798 ( -2.634 0.307 -7.972) 8.401 2.944 ( 1.492 -0.482 -3.094) 3.469 2.981 ( -1.161 0.006 -1.238) 1.697 3.378 ( 2.900 -0.105 7.682) 8.212 3.447 ( -3.379 0.082 7.006) 7.778 4.044 ( 2.184 0.018 -0.054) 2.184 4.082 ( -0.865 0.271 -0.310) 0.958 4.371 ( 4.174 0.058 0.057) 4.175 4.470 ( -5.834 0.136 -0.101) 5.836 4.715 ( -0.256 -0.695 -0.017) 0.741 4.748 ( -0.329 0.348 -0.215) 0.525 5.092 ( 0.217 -0.408 -0.999) 1.101 5.117 ( 0.018 0.319 -1.137) 1.181 5.312 ( 1.270 0.049 -0.550) 1.385 5.344 ( -2.040 0.069 -0.411) 2.082 5.627 ( 1.292 -0.089 -2.469) 2.788 5.649 ( -1.100 -0.052 -2.149) 2.415 5.730 ( 1.901 0.038 2.206) 2.913 5.768 ( -1.157 0.024 0.746) 1.377 5.790 ( -0.799 0.002 0.770) 1.109 5.795 ( -0.390 0.012 -0.231) 0.454 6.063 ( 0.956 -0.006 -0.226) 0.982 6.078 ( -0.655 0.002 -0.411) 0.773 7.459 ( 1.380 -0.005 -0.852) 1.622 7.491 ( -1.903 -0.071 -0.698) 2.029 9.313 ( -0.498 -0.053 0.051) 0.503 9.316 ( -0.561 0.054 0.005) 0.564 9.534 ( 0.522 -0.001 -0.320) 0.612 9.538 ( 0.293 0.008 -0.165) 0.336 9.886 ( -0.288 0.057 -0.144) 0.327 9.897 ( -1.199 0.195 -0.308) 1.253 ======================= Grid point 98 (37/100) ======================= q-point: ( 0.00 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 -0.471 -6.865) 6.881 0.926 ( 0.000 1.513 7.507) 7.658 0.941 ( 0.000 -1.532 -11.884) 11.983 1.016 ( 0.000 0.372 -5.473) 5.486 1.251 ( 0.000 -0.224 0.957) 0.983 1.309 ( 0.000 0.701 -0.235) 0.739 1.433 ( 0.000 -0.683 5.773) 5.813 1.776 ( 0.000 -1.250 0.952) 1.571 1.829 ( 0.000 -1.788 5.210) 5.509 1.861 ( 0.000 0.015 5.028) 5.028 2.095 ( 0.000 2.464 -13.086) 13.316 2.217 ( 0.000 -3.333 -2.075) 3.926 2.305 ( 0.000 -2.030 -4.140) 4.611 2.370 ( 0.000 -0.237 -0.660) 0.701 2.417 ( 0.000 0.014 0.236) 0.236 2.454 ( 0.000 -0.419 -7.054) 7.067 2.604 ( 0.000 -2.062 -3.298) 3.889 2.698 ( 0.000 0.116 -7.111) 7.112 2.818 ( 0.000 3.849 -1.906) 4.295 3.011 ( 0.000 0.310 0.556) 0.637 3.501 ( 0.000 0.843 8.296) 8.339 3.722 ( 0.000 0.022 6.552) 6.552 3.984 ( 0.000 0.080 -0.698) 0.702 3.991 ( 0.000 -0.386 3.025) 3.049 4.364 ( 0.000 -0.276 1.626) 1.650 4.698 ( 0.000 0.507 -0.245) 0.563 4.729 ( 0.000 -0.064 -1.754) 1.755 4.745 ( 0.000 -0.067 -0.057) 0.088 5.043 ( 0.000 -0.003 -0.733) 0.733 5.075 ( 0.000 -0.467 -3.888) 3.916 5.263 ( 0.000 0.073 -2.701) 2.702 5.456 ( 0.000 -0.073 -4.165) 4.166 5.469 ( 0.000 0.026 0.436) 0.436 5.645 ( 0.000 -0.017 -3.367) 3.367 5.713 ( 0.000 0.003 -1.135) 1.135 5.741 ( 0.000 -0.075 2.859) 2.860 5.794 ( 0.000 -0.019 -0.617) 0.617 5.977 ( 0.000 -0.059 1.014) 1.016 5.980 ( 0.000 0.147 1.486) 1.493 6.077 ( 0.000 0.087 -1.640) 1.642 7.399 ( 0.000 0.492 -2.335) 2.386 7.543 ( 0.000 -0.240 -1.469) 1.489 9.357 ( 0.000 -0.454 0.329) 0.561 9.385 ( 0.000 0.213 -0.013) 0.214 9.466 ( 0.000 0.223 -0.735) 0.768 9.500 ( 0.000 -0.392 -0.566) 0.688 9.954 ( 0.000 0.431 0.471) 0.638 9.976 ( 0.000 0.616 -0.048) 0.618 ======================= Grid point 99 (38/100) ======================= q-point: ( 0.14 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 2.800 0.824 -4.742) 5.568 0.914 ( 0.010 -0.196 -2.710) 2.718 1.005 ( 5.553 -0.084 -0.107) 5.554 1.125 ( 9.987 -0.328 -5.403) 11.359 1.285 ( 3.184 -0.024 1.120) 3.375 1.346 ( 3.655 0.662 -0.527) 3.751 1.437 ( 1.211 -0.436 4.615) 4.792 1.793 ( 1.420 -1.187 2.721) 3.291 1.830 ( 0.746 -1.780 3.719) 4.190 1.892 ( 2.339 -0.570 4.052) 4.713 2.102 ( 0.431 2.633 -11.989) 12.282 2.200 ( -1.688 -3.214 -1.465) 3.915 2.272 ( -2.512 -1.090 -3.701) 4.604 2.367 ( -0.736 -1.385 -1.723) 2.330 2.435 ( 1.806 0.008 -2.973) 3.478 2.473 ( 1.777 -0.026 -4.649) 4.978 2.615 ( 0.884 -1.641 -2.803) 3.366 2.688 ( -1.091 0.425 -6.581) 6.684 2.821 ( 0.537 3.148 -2.237) 3.899 3.012 ( 0.004 0.234 0.660) 0.700 3.503 ( 0.358 0.735 8.318) 8.358 3.706 ( -1.602 -0.009 6.680) 6.870 3.998 ( 0.858 -0.278 2.518) 2.674 4.011 ( 2.489 0.184 -0.377) 2.524 4.353 ( -0.978 -0.223 1.529) 1.829 4.656 ( -3.566 0.482 -0.590) 3.646 4.735 ( -0.628 -0.178 -0.369) 0.749 4.743 ( 0.292 -0.113 -1.011) 1.059 5.048 ( 0.420 -0.035 -1.178) 1.251 5.073 ( -0.196 -0.375 -3.716) 3.740 5.263 ( 0.084 0.083 -2.483) 2.485 5.417 ( -2.390 0.062 -1.731) 2.952 5.505 ( 2.022 -0.101 -2.085) 2.906 5.635 ( -0.941 -0.025 -3.347) 3.476 5.723 ( 0.949 -0.002 -1.117) 1.466 5.745 ( 0.414 -0.049 2.814) 2.845 5.793 ( -0.060 -0.014 -0.585) 0.588 5.931 ( -2.700 0.072 1.892) 3.297 6.015 ( 1.616 0.003 0.535) 1.702 6.074 ( -0.217 0.076 -1.591) 1.608 7.400 ( 0.188 0.429 -2.296) 2.343 7.532 ( -1.157 -0.268 -1.528) 1.935 9.349 ( -0.816 -0.398 0.285) 0.952 9.368 ( -1.562 0.176 -0.022) 1.572 9.479 ( 1.166 0.072 -0.887) 1.467 9.508 ( 0.809 -0.147 -0.342) 0.890 9.938 ( -1.583 0.314 0.263) 1.635 9.960 ( -1.574 0.615 -0.178) 1.699 ======================= Grid point 100 (39/100) ======================= q-point: ( 0.29 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.737 1.139 -0.802) 1.576 0.931 ( 1.490 1.289 -2.447) 3.142 1.128 ( 6.832 -0.925 0.135) 6.896 1.286 ( 4.883 -0.251 -2.201) 5.362 1.348 ( 3.246 -0.294 2.270) 3.972 1.402 ( 1.878 -0.338 0.658) 2.019 1.553 ( 11.056 0.274 -1.316) 11.137 1.813 ( 0.715 -1.287 6.120) 6.295 1.864 ( 2.422 -1.886 -0.362) 3.090 1.924 ( 0.692 -0.725 2.444) 2.642 2.096 ( -1.393 1.428 -8.058) 8.301 2.166 ( -1.589 -1.543 -2.782) 3.556 2.237 ( -0.775 -0.201 -2.462) 2.589 2.342 ( -1.918 -2.268 -3.274) 4.420 2.481 ( 2.859 -0.308 -3.687) 4.676 2.509 ( 1.815 1.143 -4.732) 5.195 2.628 ( 0.284 -0.914 -2.610) 2.780 2.658 ( -1.873 1.127 -5.888) 6.280 2.849 ( 2.573 1.408 -1.737) 3.409 3.006 ( -0.791 0.059 0.806) 1.131 3.518 ( 1.290 0.433 8.297) 8.407 3.665 ( -2.677 -0.074 7.021) 7.514 4.020 ( 1.542 -0.063 2.002) 2.528 4.064 ( 2.441 0.436 -0.222) 2.489 4.340 ( 0.134 -0.086 1.203) 1.214 4.574 ( -5.077 0.500 -0.406) 5.118 4.718 ( -0.886 -0.461 -0.319) 1.049 4.743 ( -0.321 -0.275 -1.016) 1.100 5.052 ( -0.037 -0.204 -2.543) 2.552 5.072 ( 0.166 -0.083 -3.038) 3.044 5.270 ( 0.773 0.114 -1.897) 2.052 5.372 ( -2.344 0.142 -1.274) 2.671 5.539 ( 1.598 -0.156 -2.737) 3.173 5.614 ( -1.260 -0.056 -3.335) 3.566 5.744 ( 1.159 -0.001 -0.987) 1.523 5.757 ( 0.812 0.010 2.447) 2.579 5.792 ( -0.007 -0.011 -0.290) 0.290 5.879 ( -2.761 0.067 2.372) 3.641 6.040 ( 0.992 -0.024 -0.155) 1.004 6.069 ( -0.331 0.047 -1.439) 1.477 7.408 ( 0.731 0.252 -2.184) 2.316 7.502 ( -1.934 -0.290 -1.673) 2.573 9.330 ( -1.070 -0.232 0.168) 1.108 9.337 ( -1.510 0.101 0.003) 1.513 9.503 ( 1.226 -0.144 -0.994) 1.585 9.525 ( 0.776 0.172 -0.159) 0.811 9.904 ( -1.728 0.172 -0.182) 1.746 9.924 ( -2.047 0.618 -0.327) 2.163 ======================= Grid point 101 (40/100) ======================= q-point: ( 0.43 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.128 1.025 1.703) 1.991 0.955 ( 0.751 2.394 -0.965) 2.688 1.243 ( 5.016 -1.226 -1.444) 5.362 1.308 ( -1.560 -0.590 -1.462) 2.217 1.402 ( 1.857 -0.294 2.983) 3.526 1.430 ( 0.804 -0.372 1.248) 1.530 1.748 ( 7.505 -1.012 -1.800) 7.783 1.819 ( -0.541 -1.447 3.693) 4.003 1.893 ( -0.502 -2.143 -1.903) 2.910 1.938 ( 2.169 -0.168 2.640) 3.421 2.052 ( -2.693 -0.055 -4.723) 5.437 2.147 ( -0.444 2.936 -4.387) 5.298 2.243 ( 0.932 -2.859 -0.061) 3.008 2.299 ( -2.107 -1.311 -4.655) 5.275 2.526 ( 1.152 0.674 -2.063) 2.457 2.544 ( 2.216 0.593 -7.570) 7.910 2.612 ( -1.815 0.694 -4.494) 4.896 2.635 ( -0.287 0.592 -3.953) 4.007 2.909 ( 3.195 0.051 -0.203) 3.201 2.978 ( -2.102 0.004 0.585) 2.182 3.554 ( 2.406 0.069 8.069) 8.420 3.610 ( -2.952 -0.068 7.461) 8.025 4.053 ( 1.708 0.226 1.184) 2.091 4.083 ( -0.407 0.485 0.541) 0.833 4.377 ( 3.836 0.151 0.533) 3.875 4.471 ( -5.577 0.391 -0.013) 5.590 4.706 ( -0.366 -0.667 -0.460) 0.889 4.736 ( -0.247 -0.374 -0.909) 1.013 5.051 ( -0.061 -0.214 -3.008) 3.016 5.075 ( 0.051 0.009 -3.162) 3.163 5.293 ( 1.645 0.158 -1.333) 2.124 5.330 ( -2.144 0.176 -1.142) 2.435 5.566 ( 1.290 -0.153 -3.097) 3.359 5.590 ( -1.253 -0.104 -3.271) 3.504 5.763 ( 0.782 0.013 -0.748) 1.082 5.771 ( 0.308 0.053 0.416) 0.521 5.798 ( 0.932 -0.011 1.572) 1.827 5.831 ( -2.278 0.038 2.592) 3.451 6.054 ( 0.560 -0.020 -0.734) 0.924 6.062 ( -0.384 0.009 -1.161) 1.223 7.429 ( 1.513 0.010 -2.026) 2.528 7.463 ( -2.047 -0.201 -1.849) 2.766 9.314 ( -0.499 -0.041 0.088) 0.508 9.316 ( -0.594 0.010 0.014) 0.594 9.523 ( 0.816 -0.101 -0.756) 1.117 9.532 ( -0.012 0.111 -0.401) 0.416 9.883 ( -0.381 0.293 -0.416) 0.636 9.891 ( -1.241 0.519 -0.426) 1.411 ======================= Grid point 105 (41/100) ======================= q-point: ( 0.00 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 -1.927 -10.098) 10.280 0.682 ( 0.000 -6.660 -11.345) 13.156 0.890 ( 0.000 2.674 -5.934) 6.509 1.082 ( 0.000 2.716 4.644) 5.380 1.266 ( 0.000 0.165 0.213) 0.270 1.322 ( 0.000 -1.329 1.877) 2.300 1.440 ( 0.000 0.719 -15.914) 15.930 1.732 ( 0.000 -2.271 -7.743) 8.069 1.802 ( 0.000 -1.906 2.912) 3.480 1.866 ( 0.000 -1.441 -8.138) 8.264 1.966 ( 0.000 0.396 5.109) 5.124 2.101 ( 0.000 -1.034 -0.544) 1.168 2.239 ( 0.000 -4.898 0.691) 4.947 2.345 ( 0.000 0.278 -1.659) 1.682 2.424 ( 0.000 2.438 -1.809) 3.036 2.427 ( 0.000 -0.459 0.638) 0.786 2.545 ( 0.000 0.355 -1.948) 1.980 2.635 ( 0.000 -2.458 0.805) 2.587 2.823 ( 0.000 4.409 -0.691) 4.462 3.021 ( 0.000 0.327 0.169) 0.368 3.616 ( 0.000 -0.204 3.160) 3.167 3.804 ( 0.000 0.403 1.814) 1.858 3.970 ( 0.000 0.047 -0.756) 0.758 4.092 ( 0.000 -0.216 7.370) 7.373 4.412 ( 0.000 -0.685 3.200) 3.273 4.688 ( 0.000 0.700 -1.415) 1.579 4.689 ( 0.000 -0.058 -2.069) 2.070 4.746 ( 0.000 -0.002 0.298) 0.298 4.983 ( 0.000 -0.450 -4.774) 4.795 5.027 ( 0.000 0.005 -0.832) 0.832 5.199 ( 0.000 -0.135 -3.619) 3.622 5.375 ( 0.000 -0.046 -3.813) 3.814 5.478 ( 0.000 0.025 0.449) 0.449 5.577 ( 0.000 0.177 -3.366) 3.371 5.691 ( 0.000 -0.006 -1.053) 1.053 5.781 ( 0.000 -0.023 -0.661) 0.662 5.794 ( 0.000 -0.140 2.477) 2.481 5.997 ( 0.000 -0.070 0.891) 0.894 6.007 ( 0.000 0.190 1.029) 1.046 6.039 ( 0.000 0.130 -2.104) 2.108 7.354 ( 0.000 0.517 -2.326) 2.383 7.509 ( 0.000 -0.416 -1.683) 1.734 9.361 ( 0.000 -0.662 0.338) 0.743 9.385 ( 0.000 0.248 -0.165) 0.298 9.442 ( 0.000 -0.574 -1.432) 1.543 9.493 ( 0.000 0.309 -0.058) 0.314 9.948 ( 0.000 1.361 -1.377) 1.936 9.998 ( 0.000 1.027 1.262) 1.627 ======================= Grid point 106 (42/100) ======================= q-point: ( 0.14 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 4.702 -1.520 -9.267) 10.502 0.714 ( 5.070 -2.181 -8.633) 10.247 0.996 ( 10.535 0.884 -6.151) 12.231 1.141 ( 5.323 1.471 6.307) 8.383 1.310 ( 4.234 0.587 0.301) 4.285 1.362 ( 3.936 -0.803 2.000) 4.487 1.461 ( 2.510 0.928 -11.617) 11.922 1.721 ( -0.909 -1.753 -8.504) 8.730 1.796 ( -1.294 -1.827 -2.699) 3.507 1.871 ( 1.320 -0.689 -4.659) 4.891 2.008 ( 3.509 -0.316 3.985) 5.319 2.099 ( -0.148 -1.047 -0.177) 1.072 2.199 ( -3.537 -4.141 -0.082) 5.447 2.331 ( -1.300 -1.492 -0.787) 2.130 2.430 ( 0.744 0.421 0.532) 1.007 2.446 ( 1.453 2.324 -2.183) 3.504 2.567 ( 1.747 -0.298 -1.515) 2.331 2.629 ( -0.557 -1.973 0.423) 2.093 2.820 ( 0.128 4.055 -0.741) 4.124 3.024 ( 0.210 0.276 0.324) 0.474 3.618 ( 0.350 -0.113 3.085) 3.107 3.790 ( -1.375 0.372 1.879) 2.358 4.000 ( 2.959 0.192 -0.472) 3.003 4.093 ( 0.097 -0.159 6.877) 6.880 4.399 ( -1.203 -0.588 3.038) 3.320 4.638 ( -3.329 0.548 -1.587) 3.728 4.713 ( 0.513 -0.008 -1.453) 1.541 4.737 ( -0.840 -0.123 0.231) 0.880 4.978 ( -0.436 -0.411 -4.858) 4.895 5.025 ( -0.309 -0.021 -1.594) 1.624 5.206 ( 0.783 -0.073 -3.112) 3.209 5.363 ( -1.133 0.024 -3.241) 3.434 5.485 ( 0.604 -0.037 -0.218) 0.643 5.568 ( -0.855 0.103 -3.294) 3.405 5.701 ( 0.989 -0.007 -1.051) 1.443 5.777 ( -0.323 -0.009 -0.464) 0.565 5.801 ( 0.636 -0.110 2.236) 2.327 5.968 ( -2.075 0.103 1.619) 2.634 6.023 ( 0.768 -0.005 0.189) 0.791 6.038 ( -0.118 0.115 -2.056) 2.062 7.356 ( 0.228 0.470 -2.290) 2.349 7.496 ( -1.286 -0.432 -1.740) 2.206 9.352 ( -0.887 -0.532 0.254) 1.065 9.367 ( -1.558 0.102 -0.168) 1.571 9.453 ( 1.016 -0.628 -1.444) 1.874 9.508 ( 1.253 0.595 0.238) 1.407 9.930 ( -1.794 1.229 -1.420) 2.597 9.972 ( -2.336 0.553 0.636) 2.484 ======================= Grid point 107 (43/100) ======================= q-point: ( 0.29 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 3.666 -0.698 -8.910) 9.660 0.816 ( 4.195 2.601 -5.999) 7.769 1.194 ( 7.570 -1.142 -2.242) 7.977 1.255 ( 6.539 -0.486 4.213) 7.794 1.400 ( 4.624 0.356 1.470) 4.865 1.446 ( 4.179 -0.688 3.240) 5.332 1.545 ( 5.484 1.704 -3.051) 6.503 1.712 ( 0.288 0.226 -11.304) 11.310 1.759 ( -1.426 -1.033 -12.059) 12.187 1.908 ( 1.987 -0.539 -1.418) 2.500 2.058 ( 0.616 -0.909 2.331) 2.577 2.096 ( -0.463 -0.705 1.874) 2.054 2.141 ( -1.145 -3.806 -1.448) 4.230 2.300 ( -1.910 -3.909 0.270) 4.359 2.449 ( 1.146 0.737 -1.630) 2.125 2.475 ( 1.726 2.599 -0.861) 3.237 2.590 ( 0.449 0.054 -1.531) 1.596 2.612 ( -1.240 -1.288 0.061) 1.789 2.849 ( 3.068 2.658 -0.065) 4.060 3.022 ( -0.640 0.229 0.629) 0.926 3.632 ( 1.193 0.037 3.065) 3.289 3.755 ( -2.251 0.286 2.145) 3.122 4.065 ( 3.244 0.389 0.425) 3.295 4.098 ( 0.597 0.008 5.417) 5.450 4.378 ( -0.531 -0.293 2.603) 2.673 4.564 ( -4.498 0.627 -0.922) 4.635 4.708 ( -0.864 -0.308 -0.559) 1.074 4.722 ( -0.529 -0.460 -0.461) 0.839 4.972 ( -0.141 -0.285 -4.922) 4.932 5.014 ( -0.812 -0.088 -3.106) 3.211 5.229 ( 1.583 0.049 -2.207) 2.716 5.336 ( -1.719 0.128 -2.385) 2.943 5.498 ( 0.749 -0.116 -1.286) 1.493 5.549 ( -1.082 -0.011 -3.052) 3.239 5.723 ( 1.286 -0.005 -1.000) 1.629 5.770 ( -0.396 0.021 -0.570) 0.694 5.817 ( 1.119 -0.060 2.263) 2.526 5.924 ( -2.412 0.093 2.063) 3.175 6.032 ( 0.245 -0.032 -0.633) 0.679 6.035 ( -0.100 0.066 -1.836) 1.840 7.365 ( 0.788 0.314 -2.193) 2.352 7.464 ( -2.083 -0.408 -1.863) 2.824 9.331 ( -1.174 -0.162 0.013) 1.185 9.337 ( -1.422 -0.131 0.015) 1.429 9.477 ( 1.466 -0.545 -1.269) 2.014 9.528 ( 0.560 0.669 0.238) 0.904 9.892 ( -1.881 0.699 -1.337) 2.411 9.925 ( -2.427 0.445 -0.099) 2.470 ======================= Grid point 108 (44/100) ======================= q-point: ( 0.43 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 2.030 2.345 -5.943) 6.704 0.867 ( 1.315 2.284 -7.308) 7.769 1.293 ( 3.739 -1.675 3.152) 5.169 1.334 ( 0.985 -1.600 3.637) 4.094 1.466 ( 2.375 -0.076 2.429) 3.398 1.490 ( 0.129 -1.089 4.759) 4.883 1.614 ( 2.820 0.599 -9.521) 9.948 1.675 ( -3.301 -0.173 -12.394) 12.828 1.843 ( 7.387 2.248 -9.744) 12.432 1.930 ( -0.071 0.277 -3.934) 3.944 2.020 ( -3.208 -0.580 2.198) 3.932 2.085 ( -0.381 -1.064 3.710) 3.878 2.158 ( 1.216 -2.947 -2.112) 3.824 2.263 ( -1.602 -6.227 1.149) 6.532 2.466 ( 0.539 1.093 -3.029) 3.265 2.512 ( 1.923 2.377 0.307) 3.073 2.571 ( -1.801 0.496 -1.801) 2.594 2.604 ( 0.087 -0.576 0.062) 0.586 2.921 ( 3.915 1.164 0.755) 4.153 2.993 ( -2.417 0.370 0.706) 2.545 3.664 ( 2.100 0.112 2.978) 3.646 3.709 ( -2.511 0.172 2.556) 3.587 4.099 ( 0.668 0.408 2.862) 2.967 4.118 ( 0.884 0.237 2.943) 3.082 4.397 ( 2.718 0.125 1.403) 3.061 4.474 ( -4.804 0.465 0.093) 4.827 4.693 ( -0.468 -0.476 -0.304) 0.734 4.715 ( -0.239 -0.720 -0.691) 1.026 4.973 ( 0.246 -0.102 -4.600) 4.608 4.998 ( -0.667 -0.212 -4.367) 4.422 5.263 ( 1.971 0.144 -1.761) 2.647 5.301 ( -1.971 0.174 -1.857) 2.714 5.513 ( 0.798 -0.129 -2.090) 2.241 5.529 ( -0.952 -0.091 -2.653) 2.820 5.746 ( 1.022 0.012 -0.900) 1.361 5.761 ( -0.603 0.027 -0.765) 0.975 5.843 ( 1.657 -0.010 2.351) 2.877 5.880 ( -2.198 0.038 2.297) 3.179 6.034 ( 0.009 0.014 -1.512) 1.512 6.035 ( -0.023 -0.014 -1.309) 1.309 7.387 ( 1.568 0.045 -2.087) 2.611 7.423 ( -2.139 -0.241 -1.984) 2.927 9.314 ( -0.441 -0.011 -0.045) 0.443 9.317 ( -0.654 -0.119 0.052) 0.667 9.505 ( 1.397 -0.245 -0.868) 1.663 9.526 ( -0.684 0.245 -0.296) 0.784 9.871 ( -0.189 0.553 -0.964) 1.127 9.886 ( -1.491 0.582 -0.489) 1.674 ======================= Grid point 112 (45/100) ======================= q-point: ( 0.00 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 -4.975 -11.352) 12.394 0.438 ( 0.000 -14.720 -6.625) 16.142 0.823 ( 0.000 4.950 -3.051) 5.815 0.846 ( 0.000 -6.418 -33.814) 34.417 1.151 ( 0.000 3.870 0.897) 3.973 1.260 ( 0.000 -0.623 -0.449) 0.768 1.349 ( 0.000 -3.012 1.572) 3.398 1.546 ( 0.000 4.511 -13.915) 14.628 1.845 ( 0.000 -2.590 6.015) 6.549 1.867 ( 0.000 -1.569 4.111) 4.400 2.055 ( 0.000 0.639 3.316) 3.377 2.161 ( 0.000 1.302 2.929) 3.205 2.231 ( 0.000 -4.790 0.957) 4.885 2.312 ( 0.000 0.349 -1.688) 1.723 2.410 ( 0.000 -1.097 1.599) 1.939 2.433 ( 0.000 -0.473 0.183) 0.507 2.506 ( 0.000 2.473 -3.157) 4.010 2.656 ( 0.000 -4.681 3.064) 5.595 2.844 ( 0.000 3.734 0.326) 3.748 3.022 ( 0.000 0.217 -0.190) 0.288 3.647 ( 0.000 -1.560 1.391) 2.090 3.818 ( 0.000 0.892 -0.251) 0.926 3.957 ( 0.000 -0.024 -0.489) 0.490 4.259 ( 0.000 -0.074 8.780) 8.781 4.464 ( 0.000 -0.620 1.987) 2.081 4.637 ( 0.000 0.300 -4.225) 4.235 4.653 ( 0.000 -0.029 -1.389) 1.390 4.760 ( 0.000 0.032 1.004) 1.005 4.901 ( 0.000 -0.053 -2.864) 2.864 5.013 ( 0.000 0.014 -0.540) 0.540 5.128 ( 0.000 -0.435 -3.075) 3.105 5.314 ( 0.000 0.066 -2.211) 2.212 5.486 ( 0.000 0.020 0.262) 0.263 5.521 ( 0.000 0.569 -2.413) 2.479 5.674 ( 0.000 -0.009 -0.596) 0.596 5.770 ( 0.000 -0.020 -0.404) 0.404 5.836 ( 0.000 -0.166 1.751) 1.759 6.000 ( 0.000 0.104 -1.646) 1.649 6.010 ( 0.000 -0.064 0.479) 0.484 6.021 ( 0.000 0.343 0.140) 0.370 7.318 ( 0.000 0.354 -1.406) 1.450 7.478 ( 0.000 -0.516 -1.048) 1.168 9.360 ( 0.000 -0.290 -0.143) 0.323 9.387 ( 0.000 -0.436 0.595) 0.738 9.412 ( 0.000 -0.861 -1.057) 1.363 9.497 ( 0.000 0.567 0.084) 0.573 9.918 ( 0.000 3.250 -3.507) 4.781 10.023 ( 0.000 1.497 0.303) 1.527 ======================= Grid point 113 (46/100) ======================= q-point: ( 0.14 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 4.479 -9.573 -7.194) 12.785 0.562 ( 11.490 -2.085 -8.027) 14.170 0.842 ( 4.813 0.005 -19.470) 20.056 1.001 ( 12.924 0.822 -12.304) 17.863 1.255 ( 6.235 0.566 3.628) 7.236 1.323 ( 5.485 1.329 0.248) 5.650 1.425 ( 7.651 1.149 3.312) 8.415 1.532 ( -0.966 3.052 -12.161) 12.575 1.802 ( -3.276 -0.561 5.160) 6.138 1.895 ( 1.469 -1.533 4.407) 4.892 2.079 ( 1.948 0.065 2.613) 3.260 2.149 ( -1.192 -0.003 1.985) 2.316 2.193 ( -2.739 -2.480 1.418) 3.958 2.308 ( -1.091 -1.492 -0.828) 2.025 2.416 ( -0.170 -0.746 0.150) 0.780 2.432 ( 1.376 -0.262 -0.751) 1.589 2.542 ( 2.523 1.136 -1.244) 3.034 2.637 ( -1.936 -4.240 1.408) 4.869 2.824 ( -0.332 3.103 -1.548) 3.484 3.028 ( 0.525 0.178 0.042) 0.556 3.644 ( 0.124 -1.214 0.569) 1.347 3.804 ( -1.325 0.783 -0.341) 1.576 3.996 ( 3.561 0.344 0.030) 3.578 4.246 ( -1.189 -0.031 7.846) 7.936 4.447 ( -1.366 -0.634 1.736) 2.298 4.599 ( -2.563 0.269 -2.671) 3.711 4.679 ( 1.263 -0.048 -1.852) 2.242 4.750 ( -0.949 -0.004 1.084) 1.440 4.891 ( -0.953 -0.090 -3.266) 3.403 4.991 ( -2.038 -0.143 -1.714) 2.667 5.149 ( 1.944 -0.253 -2.234) 2.972 5.308 ( -0.612 0.094 -2.150) 2.238 5.485 ( -0.103 -0.007 0.084) 0.133 5.512 ( -0.736 0.202 -2.329) 2.451 5.684 ( 0.992 -0.009 -0.601) 1.160 5.767 ( -0.309 -0.006 -0.414) 0.517 5.841 ( 0.578 -0.123 1.682) 1.783 5.993 ( -1.368 0.195 0.565) 1.493 6.000 ( -0.227 0.063 -1.363) 1.384 6.022 ( 0.039 0.005 -0.199) 0.203 7.321 ( 0.282 0.350 -1.379) 1.450 7.464 ( -1.379 -0.501 -1.121) 1.846 9.350 ( -0.999 -0.091 -0.248) 1.033 9.365 ( -1.606 -0.730 0.150) 1.770 9.423 ( 1.131 -0.820 -1.023) 1.732 9.527 ( 1.890 1.294 1.269) 2.619 9.895 ( -2.127 2.291 -3.662) 4.815 9.978 ( -3.365 -0.389 -0.291) 3.399 ======================= Grid point 114 (47/100) ======================= q-point: ( 0.29 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 7.055 -3.757 -5.895) 9.932 0.709 ( 4.824 2.255 -8.193) 9.771 0.961 ( 6.830 0.330 -17.567) 18.851 1.299 ( 12.342 2.059 -5.971) 13.864 1.349 ( 5.845 -2.784 -1.270) 6.598 1.398 ( 2.602 0.602 -3.468) 4.377 1.510 ( 3.334 -0.810 -4.853) 5.943 1.585 ( 4.723 2.719 6.310) 8.338 1.728 ( -4.195 1.279 4.050) 5.969 1.907 ( -0.370 0.628 1.982) 2.112 2.095 ( -1.392 -0.923 0.939) 1.916 2.132 ( 0.620 -1.560 1.739) 2.417 2.165 ( -0.192 -1.891 3.300) 3.808 2.270 ( -2.664 -1.460 -1.573) 3.421 2.419 ( 0.504 -1.182 -0.398) 1.345 2.467 ( 2.069 -0.747 -1.193) 2.502 2.578 ( 1.204 0.438 -0.113) 1.286 2.599 ( -1.723 -1.892 -0.650) 2.640 2.860 ( 3.704 2.253 -0.625) 4.380 3.033 ( -0.337 0.287 0.271) 0.519 3.658 ( 1.327 -0.424 0.285) 1.422 3.772 ( -1.988 0.687 -0.171) 2.110 4.074 ( 4.342 0.403 0.364) 4.376 4.219 ( -1.579 0.070 5.761) 5.974 4.425 ( -0.748 -0.333 1.912) 2.080 4.545 ( -3.206 0.307 -1.228) 3.446 4.693 ( 0.283 -0.217 -0.565) 0.668 4.728 ( -1.196 -0.158 1.125) 1.649 4.875 ( -0.462 -0.138 -4.177) 4.205 4.947 ( -2.346 -0.272 -3.256) 4.022 5.190 ( 2.243 -0.061 -1.523) 2.711 5.291 ( -1.126 0.134 -1.873) 2.190 5.483 ( -0.077 -0.050 -0.364) 0.376 5.499 ( -0.679 -0.026 -1.906) 2.023 5.707 ( 1.341 -0.013 -0.593) 1.466 5.759 ( -0.481 0.016 -0.451) 0.660 5.857 ( 1.180 -0.057 1.705) 2.074 5.959 ( -2.064 0.077 1.285) 2.433 5.999 ( 0.015 0.071 -1.653) 1.655 6.019 ( -0.398 -0.027 -0.700) 0.805 7.331 ( 0.825 0.268 -1.310) 1.571 7.430 ( -2.139 -0.414 -1.188) 2.481 9.328 ( -1.172 0.067 -0.255) 1.201 9.337 ( -1.340 -0.563 0.127) 1.460 9.451 ( 1.832 -0.656 -0.859) 2.127 9.544 ( -0.180 1.101 0.860) 1.408 9.859 ( -1.211 0.754 -2.382) 2.776 9.921 ( -2.621 -0.078 -0.311) 2.641 ======================= Grid point 115 (48/100) ======================= q-point: ( 0.43 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 5.493 1.459 -4.677) 7.360 0.753 ( -0.299 3.345 -5.353) 6.319 1.098 ( 7.709 -0.565 -17.099) 18.765 1.252 ( -7.039 -0.177 -14.902) 16.482 1.468 ( 4.869 -1.334 3.660) 6.236 1.540 ( 2.330 0.706 2.147) 3.246 1.581 ( 0.916 -0.589 3.299) 3.474 1.621 ( 0.095 -0.606 4.708) 4.748 1.729 ( 7.767 1.290 -3.533) 8.630 1.869 ( -4.438 1.389 -1.361) 4.845 2.055 ( -1.779 0.619 1.506) 2.412 2.154 ( 0.839 -3.106 2.571) 4.119 2.168 ( 0.348 -1.681 2.891) 3.362 2.222 ( -1.915 -2.019 -1.960) 3.404 2.428 ( 0.282 -1.247 -0.686) 1.450 2.503 ( 1.369 -1.823 -2.175) 3.151 2.571 ( -0.923 1.365 0.878) 1.867 2.594 ( 0.384 -0.525 -0.335) 0.732 2.940 ( 4.272 1.381 0.211) 4.495 3.007 ( -2.483 0.654 0.330) 2.589 3.691 ( 2.044 0.167 0.266) 2.068 3.732 ( -2.234 0.515 0.093) 2.294 4.146 ( 2.901 0.379 1.514) 3.294 4.190 ( -1.491 0.124 3.309) 3.632 4.429 ( 1.451 -0.017 1.604) 2.163 4.480 ( -3.394 0.175 0.316) 3.413 4.695 ( -0.006 -0.181 0.722) 0.744 4.710 ( -0.586 -0.455 0.774) 1.073 4.878 ( 0.721 -0.124 -4.576) 4.634 4.907 ( -1.739 -0.337 -4.344) 4.691 5.231 ( 2.020 0.060 -1.378) 2.446 5.265 ( -1.618 0.123 -1.554) 2.247 5.483 ( 0.123 -0.074 -0.898) 0.910 5.488 ( -0.419 -0.077 -1.414) 1.477 5.731 ( 1.113 0.002 -0.555) 1.244 5.748 ( -0.715 0.018 -0.505) 0.875 5.884 ( 1.660 -0.020 1.736) 2.402 5.920 ( -2.023 0.010 1.610) 2.585 6.001 ( 0.295 0.038 -1.530) 1.559 6.010 ( -0.525 -0.004 -1.209) 1.318 7.353 ( 1.549 0.058 -1.258) 1.996 7.388 ( -2.129 -0.212 -1.226) 2.465 9.313 ( -0.353 -0.011 -0.110) 0.370 9.316 ( -0.703 -0.226 0.013) 0.739 9.489 ( 2.040 -0.304 -0.560) 2.137 9.525 ( -1.638 0.311 -0.034) 1.668 9.854 ( 0.571 0.565 -1.029) 1.305 9.879 ( -1.830 0.424 -0.508) 1.946 ======================= Grid point 119 (49/100) ======================= q-point: ( 0.00 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.133 ( 0.000 -10.683 -0.000) 10.683 0.172 ( 0.000 -14.349 -0.000) 14.349 0.315 ( 0.000 -25.891 -0.000) 25.891 0.823 ( 0.000 4.583 0.000) 4.583 1.181 ( 0.000 3.753 0.000) 3.753 1.250 ( 0.000 -0.366 -0.000) 0.366 1.343 ( 0.000 -3.850 -0.000) 3.850 1.417 ( 0.000 5.228 0.000) 5.228 1.901 ( 0.000 -2.140 -0.000) 2.140 1.908 ( 0.000 -0.925 -0.000) 0.925 2.093 ( 0.000 0.482 0.000) 0.482 2.183 ( 0.000 -0.751 -0.000) 0.751 2.219 ( 0.000 -1.827 -0.000) 1.827 2.294 ( 0.000 0.288 0.000) 0.288 2.431 ( 0.000 -0.362 -0.000) 0.362 2.454 ( 0.000 -0.672 -0.000) 0.672 2.476 ( 0.000 1.769 0.000) 1.769 2.747 ( 0.000 3.375 0.000) 3.375 2.858 ( 0.000 -0.637 -0.000) 0.637 3.020 ( 0.000 0.129 0.000) 0.129 3.690 ( 0.000 1.470 0.000) 1.470 3.814 ( 0.000 0.129 0.000) 0.129 3.952 ( 0.000 -0.043 -0.000) 0.043 4.385 ( 0.000 0.224 0.000) 0.224 4.465 ( 0.000 -0.958 -0.000) 0.958 4.570 ( 0.000 0.090 0.000) 0.090 4.639 ( 0.000 -0.013 -0.000) 0.013 4.774 ( 0.000 -0.054 -0.000) 0.054 4.874 ( 0.000 0.190 0.000) 0.190 5.008 ( 0.000 0.014 0.000) 0.014 5.090 ( 0.000 -0.543 -0.000) 0.543 5.293 ( 0.000 0.278 0.000) 0.278 5.487 ( 0.000 -0.126 -0.000) 0.126 5.488 ( 0.000 0.015 0.000) 0.015 5.668 ( 0.000 -0.008 -0.000) 0.008 5.765 ( 0.000 -0.015 -0.000) 0.015 5.856 ( 0.000 0.100 0.000) 0.100 5.984 ( 0.000 0.087 0.000) 0.087 6.014 ( 0.000 -0.047 -0.000) 0.047 6.014 ( 0.000 -0.127 -0.000) 0.127 7.306 ( 0.000 0.221 0.000) 0.221 7.466 ( 0.000 -0.302 -0.000) 0.302 9.355 ( 0.000 0.041 0.000) 0.041 9.396 ( 0.000 -0.683 -0.000) 0.683 9.407 ( 0.000 -0.126 -0.000) 0.126 9.501 ( 0.000 0.449 0.000) 0.449 9.822 ( 0.000 -0.579 -0.000) 0.579 10.025 ( 0.000 0.599 0.000) 0.599 ======================= Grid point 120 (50/100) ======================= q-point: ( 0.14 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 11.570 -6.594 -0.000) 13.317 0.320 ( 7.555 -11.724 -0.000) 13.947 0.559 ( 20.009 -5.314 -0.000) 20.703 0.976 ( 9.955 6.416 0.000) 11.844 1.265 ( 2.881 -2.357 -0.000) 3.722 1.348 ( 2.509 2.163 0.000) 3.312 1.388 ( 0.725 2.097 0.000) 2.218 1.613 ( 12.316 19.064 0.000) 22.696 1.858 ( -2.942 0.960 0.000) 3.094 1.940 ( 1.295 -2.828 -0.000) 3.111 2.106 ( 0.272 0.531 0.000) 0.597 2.154 ( -1.452 -0.140 -0.000) 1.459 2.202 ( -1.401 -1.428 -0.000) 2.000 2.292 ( -1.057 -0.369 -0.000) 1.119 2.399 ( -0.791 -0.295 -0.000) 0.844 2.445 ( -0.905 -3.716 -0.000) 3.824 2.535 ( 3.409 0.817 0.000) 3.506 2.623 ( -6.979 -8.934 -0.000) 11.336 2.789 ( 2.197 0.474 0.000) 2.248 3.029 ( 0.628 -0.074 -0.000) 0.633 3.641 ( -0.457 -2.161 -0.000) 2.208 3.800 ( -1.129 0.511 0.000) 1.239 4.006 ( 3.449 1.098 0.000) 3.620 4.347 ( -2.913 -0.149 -0.000) 2.917 4.455 ( -0.704 -0.398 -0.000) 0.809 4.556 ( -1.015 -0.235 -0.000) 1.042 4.656 ( 1.536 -0.081 -0.000) 1.538 4.766 ( -0.792 0.028 0.000) 0.793 4.859 ( -1.486 0.125 0.000) 1.491 4.968 ( -3.225 -0.221 -0.000) 3.233 5.124 ( 2.649 -0.256 -0.000) 2.662 5.286 ( -0.517 0.126 0.000) 0.532 5.484 ( -0.287 -0.112 -0.000) 0.309 5.486 ( -0.279 -0.008 -0.000) 0.279 5.678 ( 0.978 -0.007 -0.000) 0.979 5.762 ( -0.318 -0.005 -0.000) 0.319 5.858 ( 0.581 -0.123 -0.000) 0.594 5.981 ( -0.130 0.021 0.000) 0.132 6.001 ( -1.171 0.000 0.000) 1.171 6.021 ( -0.192 0.202 0.000) 0.279 7.308 ( 0.313 0.240 0.000) 0.394 7.450 ( -1.432 -0.457 -0.000) 1.503 9.345 ( -0.940 0.046 0.000) 0.941 9.360 ( -1.554 -1.470 -0.000) 2.139 9.408 ( 1.217 -0.643 -0.000) 1.377 9.575 ( 1.152 3.753 0.000) 3.926 9.822 ( 0.064 -0.358 -0.000) 0.364 9.964 ( -2.916 -1.816 -0.000) 3.435 ======================= Grid point 121 (51/100) ======================= q-point: ( 0.29 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 9.969 -4.122 -0.000) 10.788 0.530 ( 12.568 -1.420 -0.000) 12.648 0.801 ( 6.101 2.208 0.000) 6.489 1.229 ( -5.684 2.606 0.000) 6.253 1.275 ( 18.554 0.191 0.000) 18.555 1.392 ( 4.788 -2.741 -0.000) 5.517 1.486 ( 6.841 -0.912 -0.000) 6.902 1.714 ( 0.490 6.018 0.000) 6.038 1.782 ( -5.237 2.958 0.000) 6.015 1.938 ( -1.607 -0.743 -0.000) 1.770 2.101 ( 0.258 -1.694 -0.000) 1.714 2.149 ( -0.456 2.228 0.000) 2.274 2.183 ( -0.155 -1.659 -0.000) 1.666 2.252 ( -2.655 0.036 0.000) 2.655 2.405 ( 0.950 -1.993 -0.000) 2.208 2.435 ( -0.158 -5.117 -0.000) 5.120 2.567 ( 0.554 -1.124 -0.000) 1.253 2.589 ( 0.893 0.561 0.000) 1.054 2.858 ( 4.666 1.237 0.000) 4.828 3.036 ( -0.168 0.111 0.000) 0.202 3.656 ( 1.597 -0.604 -0.000) 1.707 3.772 ( -1.816 0.592 0.000) 1.910 4.082 ( 4.436 0.463 0.000) 4.460 4.286 ( -3.301 0.147 0.000) 3.305 4.442 ( -0.428 -0.105 -0.000) 0.441 4.529 ( -1.934 -0.107 -0.000) 1.937 4.686 ( 1.480 -0.107 -0.000) 1.484 4.747 ( -1.099 0.058 0.000) 1.100 4.829 ( -1.339 -0.018 -0.000) 1.339 4.905 ( -3.279 -0.381 -0.000) 3.301 5.174 ( 2.482 -0.088 -0.000) 2.483 5.272 ( -0.966 0.138 0.000) 0.976 5.478 ( -0.325 -0.088 -0.000) 0.337 5.479 ( -0.355 -0.030 -0.000) 0.356 5.701 ( 1.356 -0.013 -0.000) 1.356 5.754 ( -0.503 0.012 0.000) 0.504 5.876 ( 1.251 -0.035 -0.000) 1.252 5.972 ( -1.686 0.013 0.000) 1.686 5.980 ( -0.030 0.019 0.000) 0.035 6.011 ( -0.810 0.041 0.000) 0.811 7.319 ( 0.822 0.191 0.000) 0.844 7.415 ( -2.113 -0.325 -0.000) 2.138 9.325 ( -1.052 0.055 0.000) 1.054 9.334 ( -1.250 -0.588 -0.000) 1.381 9.439 ( 2.029 -0.513 -0.000) 2.092 9.565 ( -1.568 1.300 0.000) 2.037 9.827 ( 0.570 0.090 0.000) 0.577 9.916 ( -2.348 -0.300 -0.000) 2.367 ======================= Grid point 122 (52/100) ======================= q-point: ( 0.43 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 7.364 1.063 0.000) 7.440 0.713 ( 3.806 2.509 0.000) 4.558 0.888 ( 6.538 0.076 0.000) 6.539 1.066 ( -10.149 0.753 0.000) 10.177 1.499 ( 6.281 -2.183 -0.000) 6.650 1.572 ( 5.963 1.294 0.000) 6.102 1.631 ( 6.921 -3.312 -0.000) 7.673 1.654 ( -1.746 0.587 0.000) 1.842 1.711 ( -0.318 2.481 0.000) 2.502 1.863 ( -7.207 0.307 0.000) 7.213 2.111 ( 0.670 0.073 0.000) 0.674 2.130 ( -1.248 1.754 0.000) 2.152 2.192 ( 0.777 -0.838 -0.000) 1.142 2.211 ( -1.432 -0.653 -0.000) 1.574 2.423 ( 0.799 -3.096 -0.000) 3.198 2.433 ( -0.211 -4.049 -0.000) 4.055 2.585 ( 1.032 0.500 0.000) 1.147 2.597 ( -0.168 0.812 0.000) 0.829 2.947 ( 4.437 0.959 0.000) 4.539 3.014 ( -2.391 0.499 0.000) 2.442 3.692 ( 2.167 0.118 0.000) 2.170 3.734 ( -2.162 0.480 0.000) 2.214 4.163 ( 3.901 0.277 0.000) 3.911 4.227 ( -3.063 0.219 0.000) 3.071 4.447 ( 1.118 -0.089 -0.000) 1.122 4.484 ( -2.548 -0.083 -0.000) 2.550 4.710 ( 0.993 -0.030 -0.000) 0.993 4.727 ( -0.959 0.046 0.000) 0.960 4.820 ( 0.613 -0.238 -0.000) 0.658 4.850 ( -2.403 -0.390 -0.000) 2.434 5.216 ( 2.018 0.015 0.000) 2.018 5.249 ( -1.497 0.089 0.000) 1.500 5.473 ( -0.115 -0.066 -0.000) 0.133 5.474 ( -0.176 -0.048 -0.000) 0.183 5.725 ( 1.142 -0.002 -0.000) 1.142 5.743 ( -0.746 0.012 0.000) 0.746 5.904 ( 1.668 -0.023 -0.000) 1.668 5.938 ( -1.862 -0.020 -0.000) 1.862 5.983 ( 0.389 0.034 0.000) 0.390 5.995 ( -0.795 0.021 0.000) 0.795 7.341 ( 1.500 0.044 0.000) 1.501 7.375 ( -2.071 -0.156 -0.000) 2.077 9.311 ( -0.306 -0.018 -0.000) 0.307 9.315 ( -0.691 -0.210 -0.000) 0.722 9.481 ( 2.396 -0.242 -0.000) 2.409 9.527 ( -2.344 0.265 0.000) 2.359 9.844 ( 1.278 0.365 0.000) 1.329 9.875 ( -1.951 0.280 0.000) 1.972 ======================= Grid point 140 (53/100) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 -0.000 -5.625) 5.625 0.831 ( 0.000 0.000 3.306) 3.306 1.115 ( 0.000 0.000 2.125) 2.125 1.163 ( 0.000 0.000 7.425) 7.425 1.285 ( 0.000 -0.000 -0.267) 0.267 1.288 ( 0.000 0.000 0.009) 0.009 1.323 ( 0.000 -0.000 -1.930) 1.930 1.683 ( 0.000 -0.000 -3.642) 3.642 1.759 ( 0.000 0.000 0.679) 0.679 1.776 ( 0.000 -0.000 -2.311) 2.311 2.159 ( 0.000 0.000 1.541) 1.541 2.304 ( 0.000 0.000 2.092) 2.092 2.333 ( 0.000 -0.000 -2.756) 2.756 2.381 ( 0.000 -0.000 -0.416) 0.416 2.411 ( 0.000 0.000 0.684) 0.684 2.544 ( 0.000 0.000 2.830) 2.830 2.683 ( 0.000 0.000 9.182) 9.182 2.901 ( 0.000 0.000 2.029) 2.029 2.907 ( 0.000 0.000 9.396) 9.396 3.004 ( 0.000 -0.000 -0.558) 0.558 3.325 ( 0.000 -0.000 -9.580) 9.580 3.580 ( 0.000 -0.000 -6.389) 6.389 3.956 ( 0.000 -0.000 -0.116) 0.116 3.995 ( 0.000 0.000 0.223) 0.223 4.348 ( 0.000 -0.000 -0.072) 0.072 4.704 ( 0.000 -0.000 -0.407) 0.407 4.744 ( 0.000 0.000 0.143) 0.143 4.753 ( 0.000 0.000 0.723) 0.723 5.054 ( 0.000 0.000 0.293) 0.293 5.126 ( 0.000 0.000 1.801) 1.801 5.301 ( 0.000 0.000 0.922) 0.922 5.463 ( 0.000 -0.000 -0.201) 0.201 5.527 ( 0.000 0.000 2.555) 2.555 5.689 ( 0.000 -0.000 -1.929) 1.929 5.696 ( 0.000 0.000 1.605) 1.605 5.731 ( 0.000 0.000 0.530) 0.530 5.803 ( 0.000 0.000 0.265) 0.265 5.956 ( 0.000 -0.000 -0.975) 0.975 5.961 ( 0.000 -0.000 -0.449) 0.449 6.100 ( 0.000 0.000 0.554) 0.554 7.439 ( 0.000 0.000 0.624) 0.624 7.562 ( 0.000 0.000 0.765) 0.765 9.349 ( 0.000 0.000 0.160) 0.160 9.386 ( 0.000 -0.000 -0.201) 0.201 9.481 ( 0.000 -0.000 -0.464) 0.464 9.502 ( 0.000 0.000 1.089) 1.089 9.945 ( 0.000 -0.000 -0.763) 0.763 9.984 ( 0.000 -0.000 -0.091) 0.091 ======================= Grid point 141 (54/100) ======================= q-point: ( 0.14 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 2.026 -0.000 -4.794) 5.205 0.849 ( 1.106 0.000 1.212) 1.641 1.159 ( 0.847 0.000 5.047) 5.117 1.193 ( 6.529 0.000 1.339) 6.665 1.331 ( 2.757 0.000 0.775) 2.864 1.343 ( 4.595 0.000 2.420) 5.193 1.366 ( 7.353 -0.000 -0.901) 7.408 1.659 ( -1.664 -0.000 -4.671) 4.958 1.784 ( 0.744 -0.000 -2.505) 2.613 1.808 ( 4.109 0.000 1.071) 4.246 2.142 ( -2.117 0.000 1.998) 2.911 2.301 ( -0.449 0.000 2.476) 2.517 2.302 ( -0.669 -0.000 -2.668) 2.751 2.371 ( -3.365 0.000 0.405) 3.390 2.451 ( 4.939 -0.000 -1.221) 5.088 2.568 ( 1.828 0.000 2.365) 2.989 2.681 ( -0.100 0.000 8.889) 8.890 2.896 ( -1.125 0.000 8.976) 9.046 2.901 ( 0.121 0.000 2.609) 2.611 3.004 ( -0.111 -0.000 -0.285) 0.306 3.327 ( 0.279 -0.000 -9.372) 9.376 3.561 ( -1.932 -0.000 -6.416) 6.700 3.969 ( 1.275 -0.000 -0.121) 1.281 4.022 ( 2.542 0.000 0.113) 2.545 4.338 ( -0.870 -0.000 -0.089) 0.875 4.666 ( -3.493 -0.000 -0.301) 3.506 4.737 ( -0.642 0.000 0.238) 0.685 4.757 ( -0.024 0.000 0.634) 0.635 5.064 ( 1.006 0.000 0.348) 1.065 5.122 ( -0.402 0.000 1.754) 1.800 5.299 ( -0.188 0.000 0.856) 0.877 5.433 ( -2.323 0.000 0.145) 2.328 5.555 ( 2.179 0.000 2.358) 3.211 5.687 ( -0.836 0.000 1.671) 1.869 5.692 ( 0.362 -0.000 -2.072) 2.104 5.741 ( 0.881 0.000 0.519) 1.023 5.802 ( -0.069 0.000 0.265) 0.273 5.900 ( -3.250 -0.000 -1.122) 3.439 6.006 ( 2.180 -0.000 -0.320) 2.203 6.097 ( -0.302 0.000 0.541) 0.620 7.439 ( 0.040 0.000 0.655) 0.656 7.552 ( -1.087 0.000 0.811) 1.356 9.342 ( -0.715 0.000 0.141) 0.728 9.368 ( -1.549 -0.000 -0.168) 1.558 9.496 ( 1.340 -0.000 -0.456) 1.415 9.508 ( 0.623 0.000 1.010) 1.187 9.932 ( -1.275 -0.000 -0.574) 1.399 9.969 ( -1.492 -0.000 -0.120) 1.497 ======================= Grid point 142 (55/100) ======================= q-point: ( 0.29 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.597 -0.000 -3.557) 3.607 0.859 ( 0.047 -0.000 -1.757) 1.758 1.216 ( 4.782 0.000 2.891) 5.588 1.294 ( 3.890 -0.000 -0.165) 3.893 1.385 ( 3.187 0.000 2.579) 4.100 1.427 ( 3.741 0.000 5.753) 6.862 1.575 ( 11.288 0.000 0.698) 11.309 1.635 ( -0.681 -0.000 -7.857) 7.887 1.806 ( 2.384 -0.000 -2.645) 3.560 1.888 ( 3.965 0.000 2.200) 4.534 2.086 ( -3.330 0.000 1.944) 3.856 2.255 ( -4.993 0.000 2.747) 5.699 2.316 ( 1.497 -0.000 -2.654) 3.047 2.332 ( -0.142 -0.000 -0.700) 0.714 2.538 ( 3.788 -0.000 -1.461) 4.060 2.595 ( 0.846 0.000 1.914) 2.093 2.689 ( 1.330 0.000 8.349) 8.454 2.865 ( -2.207 0.000 7.952) 8.253 2.911 ( 1.057 0.000 3.413) 3.573 2.997 ( -0.721 0.000 0.427) 0.838 3.341 ( 1.364 -0.000 -8.697) 8.804 3.511 ( -3.210 -0.000 -6.551) 7.296 4.002 ( 2.217 -0.000 -0.143) 2.222 4.074 ( 2.277 -0.000 -0.087) 2.278 4.328 ( 0.400 -0.000 -0.143) 0.424 4.582 ( -5.287 -0.000 -0.306) 5.296 4.725 ( -0.530 0.000 0.439) 0.688 4.748 ( -0.842 0.000 0.683) 1.084 5.085 ( 1.086 0.000 0.572) 1.228 5.114 ( -0.383 0.000 1.599) 1.644 5.299 ( 0.299 0.000 0.654) 0.720 5.388 ( -2.379 0.000 0.191) 2.387 5.594 ( 1.873 0.000 2.622) 3.223 5.669 ( -1.108 0.000 1.912) 2.210 5.704 ( 0.993 -0.000 -2.347) 2.549 5.760 ( 1.022 0.000 0.431) 1.109 5.800 ( -0.166 0.000 0.260) 0.309 5.838 ( -3.198 -0.000 -1.503) 3.533 6.040 ( 1.491 -0.000 -0.000) 1.491 6.089 ( -0.510 0.000 0.498) 0.712 7.443 ( 0.476 0.000 0.738) 0.878 7.524 ( -1.782 0.000 0.892) 1.993 9.326 ( -0.894 0.000 0.083) 0.897 9.337 ( -1.547 -0.000 -0.115) 1.551 9.522 ( 1.195 -0.000 -0.324) 1.238 9.523 ( 0.809 0.000 0.793) 1.132 9.905 ( -1.346 -0.000 -0.251) 1.369 9.934 ( -2.019 -0.000 -0.168) 2.026 ======================= Grid point 143 (56/100) ======================= q-point: ( 0.43 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.063 -0.000 -3.397) 3.398 0.857 ( -0.106 -0.000 -3.202) 3.204 1.304 ( 3.715 0.000 1.444) 3.985 1.337 ( 0.422 0.000 0.048) 0.425 1.441 ( 2.429 0.000 5.621) 6.124 1.466 ( 0.133 0.000 8.085) 8.086 1.643 ( 1.581 -0.000 -9.678) 9.806 1.673 ( -0.315 -0.000 -5.230) 5.239 1.918 ( 7.170 0.000 2.964) 7.758 1.947 ( 2.080 0.000 3.776) 4.311 2.042 ( -0.028 0.000 0.132) 0.135 2.136 ( -7.188 0.000 0.820) 7.235 2.339 ( 0.696 -0.000 -2.167) 2.276 2.340 ( 0.464 -0.000 -1.220) 1.305 2.582 ( 1.234 0.000 0.494) 1.329 2.598 ( -0.465 0.000 1.586) 1.653 2.741 ( 3.854 0.000 6.667) 7.701 2.812 ( -3.371 0.000 6.734) 7.531 2.940 ( 1.844 0.000 3.053) 3.567 2.974 ( -1.650 0.000 1.668) 2.347 3.382 ( 2.915 -0.000 -7.714) 8.247 3.445 ( -3.630 -0.000 -6.934) 7.827 4.048 ( 2.481 -0.000 -0.182) 2.487 4.085 ( -1.069 -0.000 -0.191) 1.086 4.373 ( 4.309 -0.000 -0.230) 4.315 4.474 ( -5.931 -0.000 -0.297) 5.938 4.721 ( 0.164 0.000 0.616) 0.638 4.731 ( -0.829 0.000 0.702) 1.086 5.101 ( 0.540 0.000 0.958) 1.100 5.108 ( -0.269 0.000 1.330) 1.357 5.314 ( 1.300 0.000 0.387) 1.356 5.346 ( -2.048 0.000 0.224) 2.060 5.624 ( 1.332 0.000 2.630) 2.948 5.647 ( -1.152 0.000 2.271) 2.547 5.731 ( 1.902 -0.000 -2.248) 2.945 5.769 ( -1.090 -0.000 -0.772) 1.336 5.790 ( -0.845 -0.000 -0.798) 1.163 5.795 ( -0.405 0.000 0.226) 0.464 6.063 ( 0.962 0.000 0.244) 0.993 6.078 ( -0.671 0.000 0.406) 0.784 7.459 ( 1.229 0.000 0.843) 1.491 7.489 ( -1.811 0.000 0.911) 2.028 9.313 ( -0.357 0.000 0.007) 0.357 9.316 ( -0.671 -0.000 -0.060) 0.674 9.535 ( 0.458 0.000 0.448) 0.640 9.537 ( 0.347 0.000 0.019) 0.348 9.890 ( -0.155 -0.000 -0.127) 0.200 9.901 ( -1.307 -0.000 -0.162) 1.317 ======================= Grid point 147 (57/100) ======================= q-point: ( 0.00 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 -0.277 3.762) 3.772 0.849 ( 0.000 0.773 -2.053) 2.194 1.104 ( 0.000 -0.289 -2.593) 2.609 1.150 ( 0.000 -0.308 -7.311) 7.318 1.267 ( 0.000 -2.020 -0.376) 2.055 1.292 ( 0.000 2.047 -0.639) 2.144 1.343 ( 0.000 -0.155 3.649) 3.652 1.729 ( 0.000 -0.215 6.754) 6.757 1.772 ( 0.000 -0.394 0.935) 1.014 1.781 ( 0.000 0.319 2.396) 2.417 2.159 ( 0.000 1.476 -2.839) 3.200 2.286 ( 0.000 -1.300 -0.294) 1.333 2.322 ( 0.000 -0.247 0.313) 0.399 2.382 ( 0.000 -0.761 0.666) 1.011 2.413 ( 0.000 0.681 -0.657) 0.947 2.591 ( 0.000 0.190 0.752) 0.775 2.712 ( 0.000 -0.473 -3.327) 3.361 2.881 ( 0.000 -1.064 -10.415) 10.469 2.901 ( 0.000 1.280 -7.206) 7.319 3.000 ( 0.000 0.039 0.136) 0.141 3.306 ( 0.000 0.230 8.185) 8.188 3.573 ( 0.000 0.023 6.190) 6.190 3.963 ( 0.000 -0.031 0.728) 0.729 3.994 ( 0.000 0.014 -0.343) 0.343 4.350 ( 0.000 -0.021 0.268) 0.269 4.698 ( 0.000 0.062 -0.244) 0.252 4.746 ( 0.000 -0.019 0.043) 0.047 4.754 ( 0.000 -0.011 -0.634) 0.635 5.054 ( 0.000 -0.000 -0.284) 0.284 5.132 ( 0.000 -0.083 -1.186) 1.189 5.300 ( 0.000 0.032 -1.077) 1.078 5.462 ( 0.000 0.004 0.164) 0.164 5.528 ( 0.000 -0.012 -2.449) 2.449 5.689 ( 0.000 -0.010 2.003) 2.003 5.698 ( 0.000 -0.009 -1.517) 1.517 5.731 ( 0.000 0.001 -0.540) 0.540 5.803 ( 0.000 -0.002 -0.240) 0.240 5.953 ( 0.000 0.024 0.756) 0.757 5.961 ( 0.000 -0.009 0.528) 0.528 6.099 ( 0.000 0.011 -0.652) 0.652 7.432 ( 0.000 0.061 -1.334) 1.335 7.565 ( 0.000 -0.015 -0.458) 0.458 9.355 ( 0.000 -0.053 0.358) 0.362 9.383 ( 0.000 0.024 -0.036) 0.043 9.472 ( 0.000 0.069 -0.452) 0.458 9.513 ( 0.000 -0.089 0.021) 0.091 9.941 ( 0.000 0.016 0.259) 0.260 9.979 ( 0.000 0.082 -0.467) 0.474 ======================= Grid point 148 (58/100) ======================= q-point: ( 0.14 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 2.591 -0.032 3.812) 4.609 0.852 ( 0.016 0.287 -1.393) 1.423 1.143 ( 0.750 -0.149 -5.570) 5.622 1.189 ( 6.950 0.066 -1.284) 7.068 1.324 ( 4.588 -2.101 -2.250) 5.525 1.348 ( 4.510 1.595 -1.493) 5.012 1.371 ( 5.372 0.173 2.104) 5.772 1.696 ( -1.891 -0.285 6.755) 7.021 1.790 ( 1.051 -0.221 3.028) 3.213 1.833 ( 4.476 0.289 1.441) 4.711 2.165 ( -0.165 1.120 -1.589) 1.951 2.250 ( -1.967 -0.604 -0.651) 2.158 2.313 ( -0.951 -0.955 -0.882) 1.610 2.379 ( -2.465 -0.415 0.844) 2.638 2.436 ( 3.633 0.706 -0.448) 3.728 2.600 ( 0.827 0.019 0.104) 0.834 2.712 ( 0.114 -0.342 -3.123) 3.143 2.872 ( -1.072 -0.367 -11.241) 11.298 2.902 ( 0.375 0.532 -5.759) 5.795 3.001 ( 0.038 0.055 -0.019) 0.069 3.310 ( 0.584 0.182 8.148) 8.171 3.555 ( -1.777 0.017 6.314) 6.559 3.973 ( 1.127 -0.037 0.595) 1.275 4.019 ( 2.369 0.051 -0.406) 2.404 4.340 ( -0.906 -0.017 0.242) 0.938 4.660 ( -3.514 0.059 -0.356) 3.533 4.740 ( -0.545 -0.121 0.071) 0.562 4.760 ( 0.134 0.075 -0.429) 0.456 5.064 ( 0.959 -0.021 -0.381) 1.032 5.128 ( -0.452 -0.054 -1.190) 1.274 5.297 ( -0.195 0.027 -1.016) 1.035 5.432 ( -2.381 0.012 -0.255) 2.395 5.557 ( 2.247 -0.021 -2.189) 3.137 5.688 ( -0.827 -0.021 -1.556) 1.762 5.692 ( 0.301 0.008 2.082) 2.104 5.741 ( 0.885 -0.001 -0.520) 1.026 5.802 ( -0.077 -0.001 -0.249) 0.261 5.899 ( -3.249 0.012 1.019) 3.405 6.006 ( 2.204 0.001 0.306) 2.225 6.096 ( -0.289 0.009 -0.626) 0.690 7.433 ( 0.150 0.052 -1.267) 1.277 7.555 ( -1.051 -0.021 -0.465) 1.149 9.347 ( -0.778 -0.046 0.317) 0.842 9.366 ( -1.531 0.022 -0.048) 1.532 9.488 ( 1.369 0.072 -0.454) 1.444 9.518 ( 0.516 -0.083 0.002) 0.523 9.929 ( -1.178 0.005 0.205) 1.196 9.963 ( -1.546 0.089 -0.498) 1.627 ======================= Grid point 149 (59/100) ======================= q-point: ( 0.29 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -0.801 -2.720 1.452) 3.186 0.863 ( 0.657 3.073 1.485) 3.475 1.205 ( 5.366 -0.259 -3.170) 6.238 1.297 ( 4.197 0.352 0.119) 4.213 1.390 ( 2.978 -1.932 -1.945) 4.048 1.421 ( 3.625 1.392 -4.502) 5.945 1.576 ( 11.537 -0.379 -0.235) 11.546 1.670 ( -0.666 0.116 8.801) 8.827 1.816 ( 2.457 0.032 3.393) 4.189 1.920 ( 4.372 -0.158 0.805) 4.448 2.124 ( -3.408 0.974 0.934) 3.666 2.250 ( -0.469 -1.812 -1.992) 2.733 2.268 ( -2.595 0.694 -2.983) 4.014 2.337 ( -1.368 -0.309 2.712) 3.054 2.508 ( 3.690 0.020 -1.564) 4.008 2.614 ( 0.432 0.614 -0.816) 1.109 2.721 ( 0.888 -0.329 -3.228) 3.364 2.841 ( -2.125 0.125 -10.498) 10.712 2.918 ( 1.295 -0.052 -4.538) 4.720 2.998 ( -0.465 0.033 -0.358) 0.588 3.332 ( 1.813 0.065 7.964) 8.168 3.509 ( -3.016 0.009 6.641) 7.293 4.003 ( 1.981 -0.025 0.259) 1.998 4.067 ( 2.139 0.105 -0.527) 2.205 4.329 ( 0.323 -0.007 0.186) 0.373 4.576 ( -5.250 0.063 -0.346) 5.261 4.730 ( -0.467 -0.352 0.112) 0.595 4.754 ( -0.642 0.260 -0.198) 0.721 5.084 ( 1.053 -0.134 -0.648) 1.243 5.118 ( -0.460 0.076 -1.186) 1.275 5.297 ( 0.283 0.019 -0.834) 0.881 5.386 ( -2.417 0.021 -0.392) 2.449 5.598 ( 1.914 -0.033 -2.405) 3.074 5.670 ( -1.080 -0.014 -1.808) 2.106 5.703 ( 0.938 0.011 2.338) 2.519 5.759 ( 1.008 -0.001 -0.437) 1.098 5.800 ( -0.172 0.002 -0.259) 0.311 5.837 ( -3.182 0.011 1.414) 3.482 6.040 ( 1.504 -0.002 0.023) 1.504 6.089 ( -0.487 0.005 -0.548) 0.734 7.440 ( 0.659 0.027 -1.088) 1.272 7.528 ( -1.789 -0.031 -0.510) 1.861 9.329 ( -1.007 -0.038 0.205) 1.028 9.336 ( -1.511 0.027 -0.049) 1.512 9.515 ( 1.352 0.056 -0.434) 1.421 9.530 ( 0.619 -0.055 -0.054) 0.623 9.903 ( -1.341 -0.007 0.035) 1.342 9.927 ( -2.034 0.100 -0.530) 2.104 ======================= Grid point 150 (60/100) ======================= q-point: ( 0.43 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.418 -4.059 1.707) 4.423 0.867 ( -0.001 4.543 1.362) 4.743 1.304 ( 4.174 -0.211 -1.063) 4.312 1.342 ( 0.384 0.317 0.253) 0.558 1.439 ( 1.810 -2.280 -4.988) 5.775 1.467 ( 1.066 1.265 -6.376) 6.587 1.659 ( 0.765 -1.537 9.526) 9.679 1.691 ( 0.060 1.930 6.778) 7.047 1.945 ( 9.922 -0.749 -1.166) 10.019 1.989 ( 2.873 -1.585 0.058) 3.281 2.066 ( -2.340 2.709 1.544) 3.898 2.136 ( -8.205 0.080 -1.047) 8.272 2.291 ( 1.462 -1.187 -1.445) 2.373 2.318 ( -0.901 -0.430 0.437) 1.090 2.565 ( 2.059 -1.308 -1.396) 2.811 2.613 ( -0.411 2.510 -1.303) 2.857 2.749 ( 2.053 -0.416 -5.392) 5.785 2.796 ( -2.542 0.137 -8.403) 8.781 2.948 ( 1.753 -0.260 -2.889) 3.390 2.981 ( -1.329 0.063 -1.204) 1.794 3.380 ( 3.145 -0.099 7.578) 8.206 3.446 ( -3.554 0.070 7.079) 7.921 4.044 ( 2.231 -0.025 -0.136) 2.235 4.079 ( -0.933 0.146 -0.450) 1.047 4.371 ( 4.132 0.023 0.014) 4.132 4.469 ( -5.811 0.054 -0.207) 5.815 4.725 ( -0.023 -0.871 0.095) 0.877 4.741 ( -0.541 0.747 -0.024) 0.922 5.099 ( 0.442 -0.567 -0.971) 1.208 5.112 ( -0.213 0.517 -1.115) 1.248 5.311 ( 1.277 0.014 -0.606) 1.413 5.343 ( -2.049 0.028 -0.464) 2.101 5.627 ( 1.292 -0.037 -2.423) 2.746 5.649 ( -1.095 -0.019 -2.112) 2.379 5.730 ( 1.903 0.014 2.195) 2.905 5.768 ( -1.183 0.008 0.745) 1.398 5.790 ( -0.768 -0.001 0.747) 1.071 5.795 ( -0.400 0.009 -0.226) 0.460 6.063 ( 0.954 -0.003 -0.220) 0.979 6.078 ( -0.650 0.001 -0.413) 0.770 7.459 ( 1.416 -0.004 -0.851) 1.652 7.492 ( -1.922 -0.027 -0.638) 2.025 9.314 ( -0.489 -0.077 0.062) 0.499 9.315 ( -0.578 0.078 -0.004) 0.583 9.534 ( 0.625 -0.010 -0.321) 0.703 9.538 ( 0.192 0.013 -0.167) 0.254 9.886 ( -0.296 0.001 -0.222) 0.370 9.895 ( -1.198 0.098 -0.450) 1.284 ======================= Grid point 154 (61/100) ======================= q-point: ( 0.00 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 0.589 -7.144) 7.168 0.914 ( 0.000 0.442 7.698) 7.711 0.958 ( 0.000 -1.158 -10.304) 10.369 1.016 ( 0.000 -0.180 -6.011) 6.014 1.257 ( 0.000 -0.733 0.240) 0.771 1.297 ( 0.000 1.152 0.576) 1.288 1.439 ( 0.000 -0.303 5.155) 5.164 1.789 ( 0.000 -0.834 1.364) 1.599 1.855 ( 0.000 -2.288 5.283) 5.757 1.860 ( 0.000 0.165 4.879) 4.882 2.059 ( 0.000 3.194 -10.329) 10.812 2.258 ( 0.000 -3.122 -2.278) 3.865 2.322 ( 0.000 -0.682 -0.662) 0.951 2.377 ( 0.000 -0.831 -1.069) 1.354 2.413 ( 0.000 0.623 0.667) 0.913 2.464 ( 0.000 -1.025 -12.665) 12.706 2.624 ( 0.000 -1.186 -3.449) 3.648 2.696 ( 0.000 0.000 -4.842) 4.842 2.776 ( 0.000 2.995 -3.734) 4.787 3.008 ( 0.000 0.198 0.505) 0.542 3.491 ( 0.000 0.666 8.405) 8.431 3.722 ( 0.000 -0.066 6.624) 6.624 3.984 ( 0.000 0.053 -0.701) 0.702 3.994 ( 0.000 -0.176 3.004) 3.010 4.367 ( 0.000 -0.199 1.829) 1.840 4.693 ( 0.000 0.292 -0.373) 0.474 4.730 ( 0.000 -0.042 -1.747) 1.747 4.745 ( 0.000 -0.019 -0.095) 0.097 5.043 ( 0.000 -0.001 -0.735) 0.735 5.080 ( 0.000 -0.317 -3.820) 3.834 5.262 ( 0.000 0.050 -2.642) 2.642 5.457 ( 0.000 -0.036 -4.172) 4.172 5.469 ( 0.000 0.017 0.433) 0.433 5.645 ( 0.000 -0.019 -3.409) 3.409 5.713 ( 0.000 0.002 -1.132) 1.132 5.742 ( 0.000 -0.044 2.886) 2.887 5.794 ( 0.000 -0.013 -0.613) 0.613 5.978 ( 0.000 -0.038 1.025) 1.026 5.978 ( 0.000 0.092 1.473) 1.476 6.076 ( 0.000 0.058 -1.669) 1.670 7.394 ( 0.000 0.291 -2.395) 2.412 7.546 ( 0.000 -0.125 -1.399) 1.405 9.362 ( 0.000 -0.331 0.500) 0.599 9.383 ( 0.000 0.174 -0.107) 0.204 9.464 ( 0.000 0.117 -0.484) 0.498 9.504 ( 0.000 -0.227 -0.762) 0.795 9.952 ( 0.000 -0.018 0.495) 0.495 9.968 ( 0.000 0.666 -0.524) 0.847 ======================= Grid point 155 (62/100) ======================= q-point: ( 0.14 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 2.457 0.907 -5.433) 6.031 0.917 ( -0.394 -0.229 -0.328) 0.561 1.008 ( 5.648 -0.262 -1.247) 5.790 1.130 ( 10.343 -0.458 -5.103) 11.543 1.290 ( 3.062 -0.613 0.126) 3.125 1.334 ( 3.853 1.079 0.132) 4.003 1.440 ( 0.909 -0.194 4.119) 4.222 1.806 ( 1.503 -0.881 2.938) 3.415 1.857 ( 0.922 -2.461 4.032) 4.813 1.894 ( 2.312 0.334 4.196) 4.803 2.065 ( 0.555 2.968 -10.418) 10.847 2.239 ( -1.732 -3.002 -1.784) 3.898 2.283 ( -3.194 -0.370 -1.229) 3.442 2.382 ( -0.155 -1.078 -1.416) 1.787 2.430 ( 1.868 0.672 -0.799) 2.140 2.482 ( 1.426 -1.073 -10.427) 10.579 2.628 ( 0.347 -0.690 -3.153) 3.246 2.682 ( -1.469 0.363 -4.616) 4.858 2.788 ( 1.459 2.211 -3.874) 4.693 3.010 ( 0.076 0.156 0.616) 0.640 3.495 ( 0.497 0.565 8.402) 8.435 3.707 ( -1.584 -0.070 6.727) 6.911 4.001 ( 0.818 -0.202 2.449) 2.590 4.009 ( 2.325 0.206 -0.345) 2.360 4.356 ( -1.034 -0.163 1.701) 1.997 4.651 ( -3.591 0.279 -0.683) 3.666 4.737 ( -0.446 -0.257 -0.404) 0.654 4.743 ( 0.316 0.098 -0.997) 1.051 5.049 ( 0.522 -0.068 -1.069) 1.191 5.076 ( -0.352 -0.217 -3.758) 3.780 5.262 ( 0.075 0.054 -2.439) 2.440 5.416 ( -2.441 0.047 -1.723) 2.988 5.506 ( 2.066 -0.062 -2.104) 2.949 5.636 ( -0.932 -0.021 -3.376) 3.503 5.723 ( 0.953 -0.003 -1.118) 1.469 5.746 ( 0.388 -0.027 2.838) 2.865 5.793 ( -0.065 -0.009 -0.579) 0.582 5.931 ( -2.708 0.046 1.882) 3.298 6.015 ( 1.637 -0.000 0.542) 1.725 6.074 ( -0.206 0.051 -1.618) 1.632 7.396 ( 0.253 0.251 -2.353) 2.379 7.535 ( -1.131 -0.146 -1.457) 1.850 9.353 ( -0.876 -0.296 0.430) 1.020 9.366 ( -1.529 0.148 -0.081) 1.539 9.479 ( 1.294 0.055 -0.556) 1.409 9.510 ( 0.603 -0.101 -0.664) 0.903 9.937 ( -1.490 -0.087 0.280) 1.519 9.952 ( -1.573 0.670 -0.554) 1.797 ======================= Grid point 156 (63/100) ======================= q-point: ( 0.29 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 1.406 -0.119 -1.898) 2.365 0.912 ( 0.092 1.674 -1.676) 2.371 1.138 ( 7.221 -0.644 0.397) 7.261 1.289 ( 4.544 -0.192 -1.159) 4.694 1.354 ( 3.408 -0.625 0.771) 3.550 1.403 ( 2.190 0.193 1.359) 2.584 1.550 ( 11.420 0.200 -1.865) 11.574 1.831 ( 0.926 -1.395 6.243) 6.464 1.888 ( 2.193 -2.104 0.535) 3.086 1.926 ( 0.814 0.456 1.971) 2.181 2.067 ( -0.634 2.555 -8.525) 8.922 2.187 ( -4.027 -1.486 -4.011) 5.875 2.247 ( 0.242 -0.953 0.635) 1.171 2.366 ( -1.584 -1.871 -1.335) 2.791 2.475 ( 2.572 1.358 -1.972) 3.514 2.508 ( 1.420 -0.947 -8.513) 8.682 2.630 ( -0.382 0.369 -3.551) 3.591 2.647 ( -1.952 0.624 -4.875) 5.289 2.836 ( 3.568 0.783 -2.572) 4.468 3.006 ( -0.710 0.064 0.734) 1.023 3.513 ( 1.515 0.307 8.320) 8.462 3.666 ( -2.665 -0.074 7.024) 7.513 4.021 ( 1.399 -0.058 1.987) 2.431 4.059 ( 2.335 0.346 -0.271) 2.376 4.341 ( 0.035 -0.070 1.290) 1.292 4.569 ( -5.063 0.298 -0.513) 5.097 4.725 ( -0.660 -0.580 -0.297) 0.927 4.743 ( -0.321 0.145 -0.935) 0.999 5.057 ( 0.127 -0.441 -2.250) 2.296 5.071 ( -0.055 0.222 -3.258) 3.266 5.269 ( 0.750 0.072 -1.890) 2.035 5.371 ( -2.375 0.096 -1.293) 2.705 5.541 ( 1.613 -0.100 -2.734) 3.176 5.614 ( -1.239 -0.038 -3.346) 3.568 5.744 ( 1.157 -0.007 -1.002) 1.531 5.757 ( 0.775 0.014 2.463) 2.583 5.792 ( -0.003 -0.007 -0.268) 0.268 5.878 ( -2.751 0.044 2.358) 3.624 6.040 ( 0.998 -0.017 -0.144) 1.008 6.069 ( -0.311 0.032 -1.457) 1.490 7.406 ( 0.846 0.143 -2.226) 2.386 7.505 ( -1.940 -0.169 -1.608) 2.525 9.333 ( -1.202 -0.191 0.198) 1.233 9.336 ( -1.442 0.102 0.039) 1.446 9.504 ( 1.305 -0.109 -0.671) 1.471 9.523 ( 0.679 0.126 -0.504) 0.855 9.904 ( -1.747 -0.131 -0.175) 1.761 9.917 ( -2.005 0.642 -0.580) 2.184 ======================= Grid point 157 (64/100) ======================= q-point: ( 0.43 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.338 -1.520 0.691) 1.704 0.918 ( 0.287 3.629 -0.856) 3.740 1.256 ( 4.935 -0.835 -0.971) 5.098 1.315 ( -1.152 -0.441 -1.039) 1.613 1.407 ( 1.825 -0.555 2.300) 2.988 1.430 ( 0.698 0.238 1.705) 1.858 1.758 ( 8.295 -0.719 -1.829) 8.524 1.836 ( -0.736 -1.367 4.655) 4.907 1.920 ( -0.678 -2.022 -1.535) 2.628 1.937 ( 2.426 0.109 0.992) 2.623 2.047 ( -1.314 1.014 -5.726) 5.962 2.110 ( -3.186 2.336 -4.120) 5.709 2.274 ( 2.239 -1.929 0.017) 2.956 2.323 ( -2.735 -2.254 -0.716) 3.615 2.510 ( 0.834 0.882 -4.519) 4.679 2.547 ( 2.677 0.639 -5.363) 6.028 2.599 ( -2.401 0.212 -5.395) 5.909 2.629 ( -0.314 0.906 -4.427) 4.530 2.910 ( 3.824 -0.192 -0.649) 3.884 2.977 ( -2.338 0.136 0.420) 2.380 3.553 ( 2.644 -0.007 8.019) 8.444 3.611 ( -3.067 -0.008 7.467) 8.072 4.051 ( 1.633 0.068 1.164) 2.006 4.078 ( -0.423 0.429 0.457) 0.756 4.376 ( 3.695 0.081 0.531) 3.734 4.467 ( -5.489 0.242 -0.095) 5.496 4.716 ( -0.248 -0.964 -0.430) 1.084 4.736 ( -0.277 0.336 -0.749) 0.866 5.056 ( -0.055 -0.635 -2.983) 3.051 5.072 ( 0.025 0.457 -3.108) 3.141 5.292 ( 1.625 0.101 -1.357) 2.119 5.328 ( -2.147 0.117 -1.170) 2.448 5.567 ( 1.279 -0.103 -3.092) 3.347 5.591 ( -1.230 -0.065 -3.269) 3.493 5.763 ( 0.783 -0.008 -0.776) 1.102 5.770 ( 0.298 0.053 0.460) 0.550 5.798 ( 0.920 -0.012 1.571) 1.821 5.830 ( -2.263 0.029 2.586) 3.437 6.054 ( 0.550 -0.013 -0.728) 0.913 6.062 ( -0.364 0.006 -1.167) 1.222 7.429 ( 1.640 -0.002 -2.034) 2.613 7.466 ( -2.127 -0.124 -1.814) 2.798 9.314 ( -0.531 -0.040 0.056) 0.535 9.316 ( -0.595 0.016 0.083) 0.601 9.524 ( 0.725 -0.117 -0.635) 0.971 9.531 ( 0.101 0.121 -0.515) 0.539 9.880 ( -0.566 0.089 -0.488) 0.752 9.886 ( -1.085 0.444 -0.594) 1.314 ======================= Grid point 161 (65/100) ======================= q-point: ( 0.00 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 0.126 -9.283) 9.283 0.758 ( 0.000 -5.690 -7.371) 9.311 0.869 ( 0.000 0.710 -7.246) 7.281 1.056 ( 0.000 1.731 4.131) 4.479 1.263 ( 0.000 0.301 0.461) 0.551 1.332 ( 0.000 -0.439 2.516) 2.554 1.423 ( 0.000 1.995 -14.497) 14.634 1.772 ( 0.000 -4.157 -8.763) 9.699 1.824 ( 0.000 -1.747 3.183) 3.631 1.877 ( 0.000 -0.168 -7.983) 7.984 1.960 ( 0.000 0.520 4.796) 4.824 2.124 ( 0.000 -2.844 -2.207) 3.600 2.295 ( 0.000 -3.867 1.630) 4.197 2.344 ( 0.000 -0.084 -1.787) 1.789 2.385 ( 0.000 3.586 0.079) 3.587 2.431 ( 0.000 -0.143 0.741) 0.755 2.543 ( 0.000 -0.034 -4.387) 4.388 2.656 ( 0.000 -0.963 0.422) 1.051 2.775 ( 0.000 3.390 0.399) 3.414 3.017 ( 0.000 0.284 0.200) 0.347 3.613 ( 0.000 0.500 3.513) 3.548 3.801 ( 0.000 0.058 1.591) 1.592 3.969 ( 0.000 0.042 -0.718) 0.719 4.094 ( 0.000 -0.040 7.143) 7.143 4.420 ( 0.000 -0.711 3.489) 3.560 4.681 ( 0.000 0.576 -1.423) 1.535 4.690 ( 0.000 -0.051 -2.082) 2.082 4.746 ( 0.000 -0.015 0.297) 0.298 4.988 ( 0.000 -0.372 -4.913) 4.927 5.027 ( 0.000 0.005 -0.838) 0.839 5.201 ( 0.000 -0.181 -3.386) 3.391 5.375 ( 0.000 0.044 -3.925) 3.925 5.478 ( 0.000 0.022 0.451) 0.451 5.575 ( 0.000 0.086 -3.476) 3.477 5.691 ( 0.000 -0.005 -1.048) 1.048 5.781 ( 0.000 -0.020 -0.661) 0.661 5.795 ( 0.000 -0.081 2.477) 2.478 5.997 ( 0.000 -0.062 0.894) 0.896 6.005 ( 0.000 0.127 1.019) 1.027 6.037 ( 0.000 0.118 -2.118) 2.122 7.348 ( 0.000 0.395 -2.258) 2.292 7.513 ( 0.000 -0.295 -1.615) 1.641 9.368 ( 0.000 -0.578 0.247) 0.628 9.382 ( 0.000 0.235 0.030) 0.237 9.450 ( 0.000 -0.615 -0.925) 1.111 9.489 ( 0.000 0.382 -0.514) 0.641 9.936 ( 0.000 0.627 -1.821) 1.926 9.984 ( 0.000 1.096 0.993) 1.479 ======================= Grid point 162 (66/100) ======================= q-point: ( 0.14 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 5.357 1.959 -7.217) 9.199 0.757 ( 0.559 -4.028 -7.917) 8.901 0.996 ( 12.149 -0.730 -6.876) 13.979 1.126 ( 6.324 1.114 5.716) 8.597 1.302 ( 3.863 0.666 0.351) 3.935 1.368 ( 3.526 -0.288 2.317) 4.229 1.442 ( 2.369 1.946 -10.890) 11.313 1.751 ( -1.901 -2.969 -8.462) 9.167 1.814 ( -1.843 -1.021 -3.626) 4.194 1.881 ( 1.554 -0.865 -4.283) 4.638 2.010 ( 3.988 -0.074 4.384) 5.927 2.120 ( -0.407 -2.476 -1.206) 2.784 2.247 ( -3.673 -3.682 -0.528) 5.228 2.342 ( -0.363 0.219 0.179) 0.460 2.414 ( 2.107 1.633 -0.234) 2.676 2.428 ( 0.149 0.692 -0.810) 1.076 2.573 ( 2.068 -0.776 -2.589) 3.403 2.646 ( -1.038 -0.550 0.434) 1.252 2.774 ( 0.529 3.304 -0.149) 3.350 3.021 ( 0.253 0.247 0.321) 0.477 3.616 ( 0.358 0.416 3.413) 3.457 3.787 ( -1.380 0.090 1.631) 2.139 3.998 ( 2.823 0.165 -0.464) 2.865 4.094 ( 0.034 -0.001 6.686) 6.686 4.406 ( -1.329 -0.625 3.323) 3.633 4.632 ( -3.412 0.469 -1.555) 3.779 4.713 ( 0.732 -0.040 -1.510) 1.678 4.738 ( -0.729 -0.089 0.193) 0.759 4.983 ( -0.460 -0.381 -4.971) 5.006 5.025 ( -0.290 0.001 -1.539) 1.566 5.207 ( 0.705 -0.113 -2.944) 3.029 5.363 ( -1.190 0.085 -3.299) 3.508 5.485 ( 0.662 -0.030 -0.249) 0.708 5.567 ( -0.795 0.045 -3.356) 3.449 5.701 ( 0.991 -0.007 -1.048) 1.442 5.777 ( -0.342 -0.006 -0.471) 0.582 5.802 ( 0.617 -0.071 2.247) 2.331 5.966 ( -2.101 0.077 1.601) 2.643 6.023 ( 0.812 -0.019 0.203) 0.837 6.036 ( -0.101 0.107 -2.070) 2.075 7.351 ( 0.287 0.354 -2.240) 2.285 7.501 ( -1.271 -0.314 -1.681) 2.131 9.357 ( -1.127 -0.316 -0.015) 1.170 9.366 ( -1.343 -0.051 0.246) 1.366 9.461 ( 1.064 -0.735 -1.031) 1.654 9.501 ( 1.020 0.701 -0.249) 1.263 9.920 ( -1.598 0.517 -1.769) 2.439 9.963 ( -2.065 0.844 0.638) 2.320 ======================= Grid point 163 (67/100) ======================= q-point: ( 0.29 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 2.776 0.756 -6.499) 7.107 0.792 ( 2.862 0.958 -7.773) 8.339 1.216 ( 7.944 -2.350 -1.615) 8.441 1.257 ( 7.484 0.050 3.799) 8.394 1.391 ( 4.833 1.108 1.368) 5.144 1.451 ( 4.794 -0.295 2.289) 5.321 1.523 ( 5.834 1.825 -3.818) 7.207 1.714 ( -1.128 -0.556 -10.966) 11.038 1.767 ( -2.574 -0.350 -12.169) 12.444 1.921 ( 2.102 -1.471 -1.898) 3.192 2.068 ( 0.983 -0.665 4.133) 4.300 2.104 ( -1.416 -0.679 1.910) 2.473 2.195 ( -1.003 -4.990 -2.213) 5.550 2.334 ( -0.480 -0.893 -0.193) 1.032 2.436 ( 0.996 1.854 -1.638) 2.666 2.456 ( 2.086 -0.387 0.245) 2.136 2.586 ( -0.790 0.284 -2.100) 2.261 2.622 ( -1.324 -0.082 1.005) 1.664 2.819 ( 4.191 2.156 -0.407) 4.731 3.019 ( -0.663 0.230 0.508) 0.866 3.630 ( 1.211 0.268 3.226) 3.456 3.752 ( -2.228 0.137 1.860) 2.906 4.060 ( 3.228 0.280 0.405) 3.265 4.097 ( 0.416 0.167 5.386) 5.405 4.382 ( -0.770 -0.351 2.814) 2.938 4.557 ( -4.479 0.516 -0.910) 4.600 4.713 ( -0.644 -0.504 -0.623) 1.028 4.726 ( -0.399 -0.108 -0.512) 0.659 4.976 ( -0.195 -0.373 -4.978) 4.995 5.015 ( -0.788 -0.004 -2.992) 3.094 5.228 ( 1.501 0.022 -2.128) 2.604 5.334 ( -1.761 0.145 -2.395) 2.976 5.499 ( 0.781 -0.099 -1.327) 1.543 5.549 ( -1.029 -0.025 -3.067) 3.235 5.723 ( 1.280 -0.006 -0.995) 1.621 5.770 ( -0.409 0.021 -0.566) 0.699 5.818 ( 1.093 -0.047 2.269) 2.519 5.923 ( -2.388 0.076 2.055) 3.152 6.033 ( 0.219 -0.039 -0.743) 0.776 6.035 ( -0.044 0.069 -1.731) 1.733 7.361 ( 0.916 0.226 -2.182) 2.377 7.468 ( -2.126 -0.312 -1.832) 2.824 9.332 ( -1.326 0.006 -0.182) 1.339 9.340 ( -1.385 -0.263 0.326) 1.447 9.485 ( 1.342 -0.728 -0.995) 1.822 9.519 ( 0.701 0.825 -0.127) 1.090 9.886 ( -1.715 0.300 -1.507) 2.302 9.918 ( -2.466 0.675 0.015) 2.557 ======================= Grid point 164 (68/100) ======================= q-point: ( 0.43 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 1.173 0.944 -5.918) 6.107 0.836 ( 1.354 2.800 -7.746) 8.347 1.316 ( 3.581 -2.097 3.946) 5.726 1.350 ( 1.632 -1.057 4.090) 4.529 1.464 ( 2.855 0.535 2.202) 3.645 1.500 ( -0.456 -0.449 5.111) 5.150 1.607 ( 3.537 0.462 -11.862) 12.387 1.679 ( -3.701 -0.595 -13.412) 13.926 1.817 ( 7.844 2.041 -9.808) 12.723 1.932 ( -2.231 -0.438 -5.522) 5.972 2.033 ( -2.427 -1.515 4.708) 5.509 2.089 ( -0.429 0.335 5.237) 5.265 2.203 ( 0.787 -4.558 -2.322) 5.176 2.324 ( -0.458 -2.937 -0.218) 2.981 2.455 ( 0.717 0.630 -0.704) 1.186 2.496 ( 2.007 -0.298 -0.440) 2.076 2.555 ( -1.959 1.752 -1.936) 3.264 2.604 ( -0.446 0.756 0.755) 1.158 2.909 ( 4.643 0.765 0.211) 4.710 2.988 ( -2.698 0.457 0.422) 2.768 3.662 ( 2.111 0.152 2.891) 3.583 3.707 ( -2.481 0.142 2.311) 3.394 4.097 ( 0.655 0.036 2.843) 2.918 4.113 ( 0.822 0.604 3.055) 3.220 4.396 ( 2.461 0.022 1.516) 2.891 4.469 ( -4.645 0.392 0.126) 4.663 4.701 ( -0.387 -0.800 -0.379) 0.966 4.720 ( -0.186 -0.157 -0.730) 0.770 4.977 ( 0.224 -0.421 -4.583) 4.608 4.999 ( -0.660 0.064 -4.281) 4.332 5.261 ( 1.925 0.124 -1.724) 2.587 5.298 ( -1.971 0.166 -1.843) 2.704 5.514 ( 0.790 -0.118 -2.117) 2.262 5.530 ( -0.918 -0.080 -2.663) 2.818 5.746 ( 1.010 0.008 -0.895) 1.349 5.761 ( -0.599 0.028 -0.759) 0.967 5.843 ( 1.630 -0.014 2.358) 2.866 5.880 ( -2.167 0.039 2.301) 3.161 6.034 ( 0.030 0.008 -1.604) 1.604 6.035 ( -0.033 -0.008 -1.230) 1.230 7.386 ( 1.741 0.018 -2.098) 2.726 7.425 ( -2.277 -0.196 -1.984) 3.026 9.315 ( -0.400 0.000 -0.049) 0.403 9.318 ( -0.755 -0.122 0.132) 0.776 9.509 ( 1.085 -0.343 -0.749) 1.363 9.523 ( -0.291 0.328 -0.401) 0.594 9.865 ( -0.281 0.379 -1.054) 1.154 9.879 ( -1.466 0.638 -0.507) 1.678 ======================= Grid point 168 (69/100) ======================= q-point: ( 0.00 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 -3.299 -9.115) 9.694 0.607 ( 0.000 -13.358 -3.704) 13.862 0.764 ( 0.000 4.307 -4.294) 6.082 0.923 ( 0.000 -5.498 -26.865) 27.421 1.109 ( 0.000 3.030 0.567) 3.082 1.269 ( 0.000 -0.835 0.151) 0.849 1.374 ( 0.000 -1.276 1.820) 2.222 1.493 ( 0.000 3.508 -16.625) 16.991 1.873 ( 0.000 -1.749 5.445) 5.719 1.889 ( 0.000 -2.136 4.022) 4.554 2.046 ( 0.000 0.946 3.152) 3.291 2.155 ( 0.000 -0.262 2.725) 2.738 2.293 ( 0.000 -4.976 -0.282) 4.984 2.309 ( 0.000 0.252 -1.725) 1.743 2.422 ( 0.000 -1.313 3.593) 3.825 2.438 ( 0.000 -0.403 0.184) 0.443 2.473 ( 0.000 2.967 -3.629) 4.687 2.670 ( 0.000 2.173 0.449) 2.219 2.816 ( 0.000 0.782 2.393) 2.518 3.019 ( 0.000 0.242 -0.139) 0.279 3.652 ( 0.000 0.512 0.713) 0.878 3.810 ( 0.000 0.451 -0.213) 0.499 3.957 ( 0.000 -0.027 -0.449) 0.449 4.258 ( 0.000 0.139 8.709) 8.710 4.476 ( 0.000 -1.231 2.197) 2.518 4.632 ( 0.000 0.521 -4.027) 4.061 4.654 ( 0.000 -0.033 -1.403) 1.403 4.760 ( 0.000 -0.092 1.087) 1.091 4.902 ( 0.000 0.007 -3.192) 3.192 5.013 ( 0.000 0.016 -0.545) 0.545 5.134 ( 0.000 -0.646 -2.794) 2.867 5.311 ( 0.000 0.309 -2.423) 2.443 5.485 ( 0.000 0.023 0.262) 0.263 5.517 ( 0.000 0.191 -2.386) 2.393 5.674 ( 0.000 -0.010 -0.595) 0.595 5.770 ( 0.000 -0.023 -0.403) 0.404 5.837 ( 0.000 -0.014 1.641) 1.641 5.999 ( 0.000 0.099 -1.590) 1.594 6.011 ( 0.000 -0.072 0.479) 0.485 6.018 ( 0.000 0.136 0.169) 0.217 7.314 ( 0.000 0.349 -1.332) 1.377 7.484 ( 0.000 -0.450 -1.033) 1.127 9.362 ( 0.000 -0.009 -0.545) 0.545 9.393 ( 0.000 -0.506 1.068) 1.182 9.424 ( 0.000 -1.248 -0.864) 1.518 9.488 ( 0.000 0.914 -0.080) 0.918 9.891 ( 0.000 1.238 -3.460) 3.674 10.007 ( 0.000 1.313 0.379) 1.367 ======================= Grid point 169 (70/100) ======================= q-point: ( 0.14 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 7.377 -1.280 -6.062) 9.634 0.610 ( 1.886 -7.721 -4.593) 9.180 0.841 ( 6.469 -0.387 -12.054) 13.686 1.009 ( 10.823 -1.275 -17.303) 20.449 1.224 ( 9.223 3.538 3.030) 10.333 1.320 ( 4.059 -0.040 -1.129) 4.213 1.422 ( 4.723 -0.185 1.629) 4.999 1.498 ( 1.061 1.653 -13.717) 13.856 1.815 ( -4.232 -1.375 4.659) 6.442 1.909 ( 0.272 -0.700 4.397) 4.461 2.081 ( 3.027 -0.412 2.421) 3.898 2.157 ( 0.197 -1.212 2.311) 2.617 2.221 ( -4.014 -2.160 -0.054) 4.559 2.324 ( -1.566 -0.822 -2.317) 2.915 2.422 ( 0.562 0.049 -0.201) 0.599 2.436 ( 1.414 -0.932 2.586) 3.091 2.529 ( 3.251 0.590 -1.427) 3.599 2.662 ( -1.230 0.561 0.637) 1.495 2.794 ( -0.715 1.408 0.322) 1.612 3.026 ( 0.515 0.268 0.086) 0.586 3.650 ( 0.062 0.163 0.464) 0.495 3.796 ( -1.348 0.509 -0.339) 1.480 3.993 ( 3.361 0.278 -0.195) 3.378 4.246 ( -1.222 0.151 7.784) 7.881 4.458 ( -1.508 -1.185 2.006) 2.775 4.595 ( -2.600 0.458 -2.533) 3.659 4.680 ( 1.386 -0.052 -1.776) 2.254 4.751 ( -0.928 -0.074 1.061) 1.411 4.892 ( -0.895 -0.061 -3.536) 3.648 4.992 ( -1.896 -0.174 -1.581) 2.475 5.153 ( 1.752 -0.401 -2.088) 2.755 5.305 ( -0.604 0.263 -2.292) 2.384 5.485 ( -0.073 -0.004 0.073) 0.103 5.511 ( -0.557 0.061 -2.218) 2.288 5.684 ( 0.996 -0.012 -0.599) 1.163 5.767 ( -0.326 -0.006 -0.415) 0.527 5.842 ( 0.566 -0.045 1.632) 1.728 5.991 ( -1.375 0.079 0.608) 1.505 5.999 ( -0.213 0.126 -1.355) 1.377 6.023 ( 0.089 -0.042 -0.198) 0.221 7.317 ( 0.304 0.326 -1.316) 1.389 7.470 ( -1.389 -0.463 -1.093) 1.827 9.350 ( -1.104 0.058 -0.467) 1.200 9.374 ( -1.546 -0.753 0.639) 1.835 9.435 ( 1.076 -1.231 -0.848) 1.841 9.510 ( 1.551 1.550 0.502) 2.249 9.877 ( -1.340 0.820 -3.064) 3.443 9.976 ( -2.784 0.561 0.114) 2.842 ======================= Grid point 170 (71/100) ======================= q-point: ( 0.29 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 3.263 -2.948 -4.655) 6.404 0.674 ( 3.222 2.608 -6.178) 7.440 0.971 ( 7.187 -1.830 -18.369) 19.810 1.276 ( 10.205 1.509 -7.179) 12.568 1.361 ( 5.586 1.444 -6.471) 8.670 1.388 ( 5.516 0.813 1.042) 5.672 1.522 ( 5.386 -0.521 -1.429) 5.597 1.559 ( 4.728 0.454 1.487) 4.977 1.728 ( -4.487 -1.088 5.013) 6.815 1.899 ( -1.128 0.575 1.416) 1.899 2.105 ( -2.176 -1.064 -0.600) 2.496 2.163 ( 1.758 -2.892 2.147) 4.008 2.186 ( -0.039 -1.764 3.477) 3.899 2.278 ( -2.536 0.224 -4.167) 4.884 2.444 ( 1.364 -2.290 1.375) 3.000 2.468 ( 1.881 0.114 1.134) 2.199 2.565 ( 0.423 0.949 -0.226) 1.063 2.625 ( -1.919 -1.728 -0.714) 2.679 2.830 ( 4.160 2.486 -0.211) 4.851 3.029 ( -0.503 0.408 0.254) 0.696 3.660 ( 1.034 0.100 0.302) 1.081 3.764 ( -1.970 0.629 -0.310) 2.091 4.069 ( 4.365 0.413 0.248) 4.391 4.217 ( -1.635 0.207 5.685) 5.919 4.432 ( -1.037 -0.754 2.056) 2.423 4.540 ( -3.171 0.464 -1.005) 3.358 4.696 ( 0.394 -0.296 -0.624) 0.795 4.730 ( -1.088 -0.116 0.929) 1.436 4.877 ( -0.417 -0.176 -4.295) 4.319 4.951 ( -2.303 -0.328 -3.058) 3.842 5.191 ( 2.120 -0.115 -1.440) 2.566 5.289 ( -1.118 0.214 -1.932) 2.243 5.483 ( -0.051 -0.055 -0.389) 0.397 5.499 ( -0.624 -0.057 -1.840) 1.944 5.707 ( 1.337 -0.015 -0.587) 1.460 5.759 ( -0.492 0.020 -0.450) 0.667 5.858 ( 1.159 -0.047 1.690) 2.050 5.958 ( -2.016 0.064 1.330) 2.416 5.998 ( 0.034 0.084 -1.643) 1.646 6.019 ( -0.410 -0.036 -0.730) 0.837 7.328 ( 0.919 0.239 -1.277) 1.592 7.435 ( -2.224 -0.411 -1.180) 2.551 9.327 ( -1.154 0.061 -0.266) 1.185 9.343 ( -1.571 -0.563 0.279) 1.692 9.461 ( 1.638 -1.029 -0.717) 2.063 9.528 ( 0.274 1.433 0.414) 1.516 9.852 ( -0.973 0.382 -1.985) 2.243 9.919 ( -2.915 0.388 -0.169) 2.945 ======================= Grid point 171 (72/100) ======================= q-point: ( 0.43 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 2.708 1.677 -4.539) 5.546 0.710 ( 0.423 3.619 -5.898) 6.932 1.110 ( 7.316 -1.377 -17.565) 19.078 1.251 ( -5.644 0.408 -16.581) 17.520 1.476 ( 4.153 -0.140 4.345) 6.012 1.529 ( 3.211 0.977 1.748) 3.784 1.595 ( 1.011 -1.447 3.553) 3.967 1.620 ( 0.444 0.521 4.870) 4.918 1.723 ( 7.151 -0.272 -1.290) 7.271 1.856 ( -4.320 0.903 -1.221) 4.579 2.057 ( -1.774 -1.031 -1.074) 2.316 2.175 ( -0.945 0.300 1.115) 1.492 2.196 ( 1.061 -3.501 3.221) 4.875 2.248 ( -0.554 -2.422 -3.259) 4.098 2.461 ( 0.383 -3.861 1.688) 4.231 2.507 ( 2.061 0.870 -0.055) 2.238 2.551 ( -1.460 1.705 0.806) 2.385 2.606 ( -0.280 -1.098 -0.899) 1.447 2.921 ( 4.832 1.634 0.138) 5.103 2.998 ( -2.836 0.838 0.190) 2.963 3.687 ( 1.798 0.355 0.157) 1.839 3.725 ( -2.101 0.585 -0.097) 2.183 4.141 ( 2.933 0.322 1.500) 3.310 4.187 ( -1.529 0.318 3.234) 3.592 4.431 ( 1.186 -0.227 1.789) 2.159 4.478 ( -3.199 0.239 0.553) 3.255 4.698 ( -0.057 -0.409 0.560) 0.696 4.715 ( -0.453 -0.227 0.453) 0.680 4.881 ( 0.743 -0.307 -4.496) 4.567 4.911 ( -1.739 -0.302 -4.198) 4.554 5.230 ( 1.946 0.058 -1.328) 2.357 5.264 ( -1.581 0.159 -1.548) 2.218 5.484 ( 0.132 -0.087 -0.918) 0.932 5.489 ( -0.409 -0.090 -1.403) 1.465 5.731 ( 1.099 0.001 -0.549) 1.228 5.748 ( -0.707 0.022 -0.501) 0.867 5.885 ( 1.639 -0.025 1.744) 2.394 5.919 ( -1.992 0.013 1.638) 2.579 6.001 ( 0.324 0.040 -1.540) 1.574 6.010 ( -0.548 -0.003 -1.231) 1.348 7.352 ( 1.717 0.037 -1.253) 2.126 7.391 ( -2.293 -0.224 -1.232) 2.612 9.313 ( -0.259 -0.028 -0.091) 0.276 9.319 ( -0.889 -0.236 0.066) 0.922 9.493 ( 1.652 -0.476 -0.488) 1.787 9.520 ( -1.053 0.455 -0.111) 1.152 9.847 ( 0.482 0.531 -0.975) 1.210 9.872 ( -1.954 0.631 -0.486) 2.110 ======================= Grid point 175 (73/100) ======================= q-point: ( 0.00 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 0.000 -7.941 -0.000) 7.941 0.337 ( 0.000 -13.242 -0.000) 13.242 0.607 ( 0.000 -22.827 -0.000) 22.827 0.755 ( 0.000 6.266 0.000) 6.266 1.134 ( 0.000 3.815 0.000) 3.815 1.262 ( 0.000 -1.347 -0.000) 1.347 1.335 ( 0.000 8.090 0.000) 8.090 1.381 ( 0.000 -2.365 -0.000) 2.365 1.925 ( 0.000 -1.826 -0.000) 1.826 1.930 ( 0.000 -2.360 -0.000) 2.360 2.085 ( 0.000 0.933 0.000) 0.933 2.187 ( 0.000 -0.112 -0.000) 0.112 2.252 ( 0.000 -3.358 -0.000) 3.358 2.290 ( 0.000 0.376 0.000) 0.376 2.437 ( 0.000 -0.470 -0.000) 0.470 2.446 ( 0.000 2.969 0.000) 2.969 2.470 ( 0.000 -1.970 -0.000) 1.970 2.698 ( 0.000 4.585 0.000) 4.585 2.860 ( 0.000 0.324 0.000) 0.324 3.018 ( 0.000 0.194 0.000) 0.194 3.669 ( 0.000 2.010 0.000) 2.010 3.811 ( 0.000 0.401 0.000) 0.401 3.952 ( 0.000 -0.065 -0.000) 0.065 4.382 ( 0.000 0.311 0.000) 0.311 4.481 ( 0.000 -1.615 -0.000) 1.615 4.567 ( 0.000 0.320 0.000) 0.320 4.639 ( 0.000 -0.020 -0.000) 0.020 4.775 ( 0.000 -0.080 -0.000) 0.080 4.871 ( 0.000 0.293 0.000) 0.293 5.007 ( 0.000 0.021 0.000) 0.021 5.099 ( 0.000 -0.870 -0.000) 0.870 5.288 ( 0.000 0.461 0.000) 0.461 5.488 ( 0.000 0.023 0.000) 0.023 5.489 ( 0.000 -0.192 -0.000) 0.192 5.668 ( 0.000 -0.011 -0.000) 0.011 5.766 ( 0.000 -0.023 -0.000) 0.023 5.855 ( 0.000 0.154 0.000) 0.154 5.983 ( 0.000 0.124 0.000) 0.124 6.015 ( 0.000 -0.072 -0.000) 0.072 6.016 ( 0.000 -0.182 -0.000) 0.182 7.303 ( 0.000 0.316 0.000) 0.316 7.471 ( 0.000 -0.441 -0.000) 0.441 9.354 ( 0.000 0.057 0.000) 0.057 9.407 ( 0.000 -1.240 -0.000) 1.240 9.409 ( 0.000 -0.188 -0.000) 0.188 9.493 ( 0.000 0.881 0.000) 0.881 9.831 ( 0.000 -0.982 -0.000) 0.982 10.015 ( 0.000 1.013 0.000) 1.013 ======================= Grid point 176 (74/100) ======================= q-point: ( 0.14 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 6.525 -8.548 -0.000) 10.754 0.444 ( 8.966 -7.675 -0.000) 11.802 0.647 ( 6.130 -8.902 -0.000) 10.808 0.912 ( 14.747 3.231 0.000) 15.096 1.269 ( -1.500 4.714 0.000) 4.947 1.294 ( 8.700 3.260 0.000) 9.291 1.373 ( 5.678 0.978 0.000) 5.762 1.473 ( 9.285 4.789 0.000) 10.447 1.858 ( -4.057 -0.942 -0.000) 4.165 1.969 ( 0.530 -1.590 -0.000) 1.676 2.102 ( 1.675 -0.040 -0.000) 1.676 2.160 ( -2.352 -0.722 -0.000) 2.461 2.220 ( -1.555 -1.565 -0.000) 2.206 2.292 ( -1.641 0.504 0.000) 1.716 2.404 ( 0.531 -0.501 -0.000) 0.729 2.477 ( 0.736 -2.540 -0.000) 2.644 2.523 ( 3.859 1.136 0.000) 4.023 2.672 ( -4.191 0.428 0.000) 4.213 2.793 ( -1.466 -1.127 -0.000) 1.849 3.029 ( 0.668 0.199 0.000) 0.697 3.654 ( -0.502 -0.050 -0.000) 0.505 3.794 ( -1.376 0.489 0.000) 1.460 3.995 ( 3.649 0.744 0.000) 3.724 4.347 ( -3.069 0.105 0.000) 3.071 4.465 ( -1.170 -1.388 -0.000) 1.815 4.557 ( -1.012 0.144 0.000) 1.023 4.658 ( 1.611 -0.096 -0.000) 1.613 4.765 ( -0.868 -0.003 -0.000) 0.868 4.857 ( -1.399 0.203 0.000) 1.414 4.972 ( -3.011 -0.325 -0.000) 3.029 5.129 ( 2.427 -0.492 -0.000) 2.477 5.283 ( -0.489 0.344 0.000) 0.598 5.486 ( -0.282 -0.054 -0.000) 0.287 5.486 ( -0.279 -0.117 -0.000) 0.302 5.678 ( 0.989 -0.014 -0.000) 0.989 5.762 ( -0.333 -0.006 -0.000) 0.333 5.859 ( 0.574 -0.004 -0.000) 0.574 5.980 ( -0.165 0.053 0.000) 0.174 6.001 ( -1.158 -0.024 -0.000) 1.158 6.020 ( -0.147 0.045 0.000) 0.153 7.305 ( 0.315 0.300 0.000) 0.435 7.456 ( -1.457 -0.524 -0.000) 1.549 9.345 ( -0.946 0.059 0.000) 0.948 9.376 ( -1.994 -1.165 -0.000) 2.309 9.419 ( 1.154 -1.202 -0.000) 1.666 9.534 ( 1.948 2.906 0.000) 3.499 9.828 ( -0.241 -0.736 -0.000) 0.774 9.976 ( -3.124 -0.238 -0.000) 3.133 ======================= Grid point 177 (75/100) ======================= q-point: ( 0.29 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 6.945 -1.803 -0.000) 7.175 0.556 ( 7.256 -5.249 -0.000) 8.956 0.773 ( 5.805 1.849 0.000) 6.093 1.186 ( -3.985 4.325 0.000) 5.881 1.274 ( 17.916 0.381 0.000) 17.920 1.423 ( 6.022 -1.745 -0.000) 6.269 1.502 ( 7.222 -2.142 -0.000) 7.533 1.629 ( 5.501 6.622 0.000) 8.609 1.772 ( -5.110 -1.141 -0.000) 5.236 1.940 ( -2.967 0.522 0.000) 3.013 2.120 ( -1.916 1.468 0.000) 2.414 2.133 ( 0.577 -2.008 -0.000) 2.089 2.201 ( -0.429 -1.325 -0.000) 1.393 2.252 ( -1.579 -0.462 -0.000) 1.645 2.431 ( 1.791 -1.978 -0.000) 2.669 2.493 ( 0.576 -4.377 -0.000) 4.414 2.573 ( 1.498 0.919 0.000) 1.757 2.591 ( -2.726 -1.400 -0.000) 3.065 2.838 ( 4.558 1.919 0.000) 4.945 3.034 ( -0.395 0.349 0.000) 0.527 3.661 ( 1.083 -0.155 -0.000) 1.094 3.763 ( -1.849 0.784 0.000) 2.008 4.075 ( 4.636 0.611 0.000) 4.676 4.284 ( -3.387 0.248 0.000) 3.396 4.447 ( -0.624 -0.707 -0.000) 0.943 4.529 ( -1.941 0.088 0.000) 1.943 4.688 ( 1.470 -0.196 -0.000) 1.483 4.746 ( -1.112 0.099 0.000) 1.116 4.829 ( -1.180 -0.026 -0.000) 1.180 4.911 ( -3.211 -0.579 -0.000) 3.263 5.175 ( 2.367 -0.177 -0.000) 2.374 5.270 ( -0.928 0.252 0.000) 0.962 5.479 ( -0.340 -0.115 -0.000) 0.359 5.480 ( -0.342 -0.061 -0.000) 0.347 5.701 ( 1.352 -0.021 -0.000) 1.352 5.754 ( -0.512 0.019 0.000) 0.512 5.877 ( 1.241 -0.032 -0.000) 1.242 5.972 ( -1.608 -0.015 -0.000) 1.608 5.980 ( -0.103 0.056 0.000) 0.117 6.010 ( -0.780 0.039 0.000) 0.781 7.316 ( 0.897 0.235 0.000) 0.927 7.420 ( -2.212 -0.445 -0.000) 2.257 9.324 ( -1.034 0.050 0.000) 1.035 9.343 ( -1.600 -0.728 -0.000) 1.758 9.448 ( 1.855 -0.979 -0.000) 2.098 9.546 ( -0.548 1.860 0.000) 1.939 9.827 ( 0.196 -0.069 -0.000) 0.208 9.918 ( -2.880 0.044 0.000) 2.880 ======================= Grid point 178 (76/100) ======================= q-point: ( 0.43 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 4.401 1.678 0.000) 4.710 0.672 ( 2.255 3.933 0.000) 4.534 0.891 ( 7.757 -0.670 -0.000) 7.786 1.053 ( -8.500 1.254 0.000) 8.592 1.519 ( 5.582 -0.598 -0.000) 5.614 1.558 ( 5.359 1.031 0.000) 5.457 1.643 ( 5.409 0.171 0.000) 5.412 1.669 ( -1.018 1.074 0.000) 1.480 1.701 ( 3.120 -4.447 -0.000) 5.432 1.858 ( -6.611 0.389 0.000) 6.622 2.091 ( -0.641 2.931 0.000) 3.000 2.107 ( -2.049 2.011 0.000) 2.871 2.215 ( 1.303 -3.097 -0.000) 3.360 2.235 ( -0.771 -2.970 -0.000) 3.069 2.464 ( 1.550 -3.143 -0.000) 3.504 2.488 ( -0.954 -4.718 -0.000) 4.813 2.576 ( 0.487 0.956 0.000) 1.073 2.585 ( -0.104 0.920 0.000) 0.926 2.932 ( 4.807 1.605 0.000) 5.067 3.005 ( -2.757 0.880 0.000) 2.894 3.690 ( 1.817 0.379 0.000) 1.856 3.726 ( -2.013 0.748 0.000) 2.148 4.159 ( 3.971 0.423 0.000) 3.993 4.223 ( -3.102 0.338 0.000) 3.120 4.449 ( 1.047 -0.326 -0.000) 1.096 4.485 ( -2.481 -0.077 -0.000) 2.482 4.710 ( 0.892 -0.064 -0.000) 0.894 4.726 ( -0.925 0.086 0.000) 0.929 4.824 ( 0.797 -0.368 -0.000) 0.878 4.856 ( -2.458 -0.595 -0.000) 2.529 5.216 ( 1.939 0.012 0.000) 1.939 5.248 ( -1.439 0.148 0.000) 1.447 5.474 ( -0.130 -0.098 -0.000) 0.163 5.475 ( -0.163 -0.076 -0.000) 0.180 5.725 ( 1.129 -0.004 -0.000) 1.129 5.743 ( -0.738 0.018 0.000) 0.738 5.905 ( 1.667 -0.035 -0.000) 1.667 5.938 ( -1.857 -0.032 -0.000) 1.857 5.983 ( 0.400 0.053 0.000) 0.404 5.995 ( -0.800 0.033 0.000) 0.801 7.340 ( 1.645 0.043 0.000) 1.645 7.377 ( -2.225 -0.226 -0.000) 2.236 9.312 ( -0.212 -0.043 -0.000) 0.216 9.318 ( -0.892 -0.292 -0.000) 0.938 9.485 ( 2.059 -0.460 -0.000) 2.110 9.522 ( -1.744 0.465 0.000) 1.805 9.839 ( 1.139 0.501 0.000) 1.244 9.870 ( -2.145 0.535 0.000) 2.211 ======================= Grid point 210 (77/100) ======================= q-point: ( 0.00 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 -0.000 -7.334) 7.334 0.912 ( 0.000 0.000 7.985) 7.985 0.966 ( 0.000 -0.000 -9.731) 9.731 1.017 ( 0.000 -0.000 -6.309) 6.309 1.263 ( 0.000 -0.000 -0.906) 0.906 1.288 ( 0.000 0.000 1.685) 1.685 1.441 ( 0.000 0.000 4.859) 4.859 1.794 ( 0.000 0.000 1.513) 1.513 1.859 ( 0.000 0.000 4.838) 4.838 1.872 ( 0.000 0.000 5.891) 5.891 2.036 ( 0.000 -0.000 -9.799) 9.799 2.280 ( 0.000 -0.000 -1.320) 1.320 2.324 ( 0.000 -0.000 -0.742) 0.742 2.384 ( 0.000 -0.000 -1.754) 1.754 2.407 ( 0.000 0.000 1.361) 1.361 2.472 ( 0.000 -0.000 -14.628) 14.628 2.631 ( 0.000 -0.000 -3.435) 3.435 2.697 ( 0.000 -0.000 -3.011) 3.011 2.756 ( 0.000 -0.000 -5.255) 5.255 3.007 ( 0.000 0.000 0.484) 0.484 3.487 ( 0.000 0.000 8.418) 8.418 3.723 ( 0.000 0.000 6.663) 6.663 3.983 ( 0.000 -0.000 -0.702) 0.702 3.995 ( 0.000 0.000 2.988) 2.988 4.368 ( 0.000 0.000 1.914) 1.914 4.692 ( 0.000 -0.000 -0.419) 0.419 4.730 ( 0.000 -0.000 -1.744) 1.744 4.745 ( 0.000 -0.000 -0.110) 0.110 5.043 ( 0.000 -0.000 -0.736) 0.736 5.082 ( 0.000 -0.000 -3.798) 3.798 5.262 ( 0.000 -0.000 -2.612) 2.612 5.457 ( 0.000 -0.000 -4.179) 4.179 5.469 ( 0.000 0.000 0.432) 0.432 5.646 ( 0.000 -0.000 -3.423) 3.423 5.713 ( 0.000 -0.000 -1.130) 1.130 5.742 ( 0.000 0.000 2.895) 2.895 5.794 ( 0.000 -0.000 -0.611) 0.611 5.978 ( 0.000 0.000 1.470) 1.470 5.978 ( 0.000 0.000 1.029) 1.029 6.075 ( 0.000 -0.000 -1.681) 1.681 7.392 ( 0.000 -0.000 -2.417) 2.417 7.546 ( 0.000 -0.000 -1.374) 1.374 9.364 ( 0.000 0.000 0.592) 0.592 9.382 ( 0.000 -0.000 -0.168) 0.168 9.463 ( 0.000 -0.000 -0.401) 0.401 9.505 ( 0.000 -0.000 -0.823) 0.823 9.953 ( 0.000 0.000 0.904) 0.904 9.963 ( 0.000 -0.000 -1.097) 1.097 ======================= Grid point 212 (78/100) ======================= q-point: ( 0.14 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 2.526 -0.000 -5.753) 6.284 0.919 ( -0.630 0.000 0.550) 0.836 1.009 ( 5.594 -0.000 -1.606) 5.820 1.134 ( 10.425 -0.000 -4.895) 11.516 1.295 ( 2.978 -0.000 -1.050) 3.157 1.326 ( 3.977 0.000 1.042) 4.112 1.441 ( 0.824 0.000 3.892) 3.979 1.812 ( 1.595 0.000 2.962) 3.364 1.881 ( 1.768 0.000 4.916) 5.224 1.884 ( 1.288 0.000 4.035) 4.236 2.045 ( 0.793 -0.000 -10.184) 10.215 2.262 ( -1.387 0.000 0.381) 1.438 2.281 ( -3.793 -0.000 -3.169) 4.942 2.390 ( 0.156 -0.000 -0.952) 0.964 2.425 ( 1.606 -0.000 -0.340) 1.642 2.490 ( 1.494 -0.000 -12.204) 12.295 2.632 ( -0.016 -0.000 -3.268) 3.268 2.680 ( -1.666 -0.000 -3.463) 3.843 2.773 ( 1.977 -0.000 -4.778) 5.171 3.009 ( 0.101 0.000 0.599) 0.607 3.492 ( 0.564 0.000 8.410) 8.429 3.707 ( -1.583 0.000 6.754) 6.937 4.002 ( 0.708 0.000 2.702) 2.794 4.007 ( 2.358 -0.000 -0.620) 2.439 4.357 ( -1.056 0.000 1.774) 2.065 4.650 ( -3.601 -0.000 -0.718) 3.672 4.740 ( -0.530 -0.000 -0.150) 0.551 4.742 ( 0.477 -0.000 -1.258) 1.346 5.050 ( 0.585 -0.000 -1.020) 1.176 5.077 ( -0.435 -0.000 -3.782) 3.807 5.262 ( 0.072 -0.000 -2.417) 2.418 5.416 ( -2.461 -0.000 -1.724) 3.005 5.506 ( 2.083 -0.000 -2.111) 2.966 5.636 ( -0.930 -0.000 -3.386) 3.511 5.723 ( 0.956 -0.000 -1.119) 1.472 5.746 ( 0.378 0.000 2.847) 2.872 5.793 ( -0.067 -0.000 -0.576) 0.580 5.930 ( -2.711 0.000 1.879) 3.299 6.015 ( 1.645 0.000 0.545) 1.733 6.073 ( -0.201 -0.000 -1.628) 1.641 7.394 ( 0.278 -0.000 -2.373) 2.389 7.536 ( -1.119 -0.000 -1.431) 1.816 9.355 ( -0.894 0.000 0.520) 1.034 9.365 ( -1.523 -0.000 -0.136) 1.529 9.478 ( 1.336 -0.000 -0.440) 1.407 9.510 ( 0.530 -0.000 -0.777) 0.941 9.938 ( -1.441 0.000 0.704) 1.604 9.947 ( -1.590 -0.000 -1.112) 1.940 ======================= Grid point 214 (79/100) ======================= q-point: ( 0.29 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 2.227 -0.000 -2.732) 3.524 0.900 ( -0.984 -0.000 -0.931) 1.354 1.142 ( 7.368 0.000 0.438) 7.381 1.290 ( 4.406 -0.000 -0.553) 4.440 1.359 ( 3.393 -0.000 -0.395) 3.416 1.401 ( 2.376 0.000 1.984) 3.095 1.549 ( 11.567 -0.000 -2.101) 11.756 1.840 ( 1.140 0.000 6.310) 6.412 1.908 ( 1.113 0.000 3.777) 3.938 1.916 ( 1.817 -0.000 -0.912) 2.033 2.050 ( -0.630 -0.000 -8.437) 8.461 2.196 ( -5.004 -0.000 -4.513) 6.739 2.253 ( 0.804 0.000 1.433) 1.643 2.380 ( -1.340 -0.000 -0.663) 1.495 2.463 ( 2.381 -0.000 -2.508) 3.458 2.516 ( 1.264 -0.000 -8.616) 8.708 2.627 ( -0.588 -0.000 -3.906) 3.950 2.643 ( -2.031 -0.000 -4.578) 5.008 2.831 ( 3.984 -0.000 -2.880) 4.916 3.005 ( -0.685 0.000 0.706) 0.984 3.511 ( 1.618 0.000 8.312) 8.468 3.666 ( -2.669 0.000 7.031) 7.520 4.022 ( 1.347 0.000 1.992) 2.405 4.057 ( 2.292 -0.000 -0.306) 2.312 4.342 ( -0.004 0.000 1.328) 1.328 4.567 ( -5.060 -0.000 -0.552) 5.090 4.729 ( -0.473 -0.000 -0.262) 0.541 4.742 ( -0.421 -0.000 -0.932) 1.023 5.060 ( 0.428 -0.000 -1.810) 1.860 5.069 ( -0.375 -0.000 -3.668) 3.687 5.269 ( 0.741 -0.000 -1.886) 2.027 5.370 ( -2.386 -0.000 -1.302) 2.719 5.541 ( 1.620 -0.000 -2.734) 3.178 5.615 ( -1.231 -0.000 -3.349) 3.568 5.744 ( 1.157 -0.000 -1.015) 1.539 5.757 ( 0.760 0.000 2.476) 2.589 5.793 ( -0.001 -0.000 -0.258) 0.258 5.878 ( -2.747 0.000 2.353) 3.617 6.040 ( 1.000 -0.000 -0.139) 1.010 6.068 ( -0.303 -0.000 -1.464) 1.495 7.405 ( 0.890 -0.000 -2.241) 2.411 7.506 ( -1.940 -0.000 -1.584) 2.504 9.334 ( -1.183 0.000 0.342) 1.232 9.335 ( -1.485 -0.000 -0.079) 1.487 9.505 ( 1.355 -0.000 -0.503) 1.445 9.522 ( 0.622 -0.000 -0.680) 0.922 9.906 ( -1.772 0.000 0.215) 1.785 9.911 ( -1.975 -0.000 -1.065) 2.244 ======================= Grid point 216 (80/100) ======================= q-point: ( 0.43 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 1.479 -0.000 -0.441) 1.543 0.883 ( -0.945 -0.000 -0.020) 0.945 1.261 ( 4.898 -0.000 -0.820) 4.967 1.318 ( -0.973 -0.000 -0.814) 1.269 1.412 ( 2.016 0.000 1.291) 2.394 1.427 ( 0.425 0.000 2.471) 2.507 1.763 ( 8.676 -0.000 -1.901) 8.882 1.846 ( -1.031 0.000 5.359) 5.457 1.930 ( 1.274 0.000 1.946) 2.326 1.940 ( 0.495 -0.000 -3.405) 3.441 2.037 ( 0.411 -0.000 -5.496) 5.512 2.097 ( -5.205 -0.000 -4.009) 6.570 2.286 ( 2.461 0.000 0.422) 2.497 2.338 ( -2.837 -0.000 -0.322) 2.855 2.510 ( 2.283 -0.000 -3.836) 4.464 2.533 ( 0.106 -0.000 -5.625) 5.626 2.612 ( -0.969 -0.000 -5.453) 5.539 2.612 ( -0.726 -0.000 -5.078) 5.129 2.911 ( 4.147 -0.000 -0.825) 4.228 2.976 ( -2.514 0.000 0.362) 2.540 3.553 ( 2.772 0.000 7.983) 8.450 3.611 ( -3.143 0.000 7.480) 8.114 4.051 ( 1.652 0.000 1.175) 2.027 4.075 ( -0.477 0.000 0.400) 0.622 4.375 ( 3.643 0.000 0.536) 3.682 4.465 ( -5.460 -0.000 -0.125) 5.461 4.725 ( 0.055 -0.000 -0.439) 0.443 4.731 ( -0.547 -0.000 -0.668) 0.863 5.064 ( 0.043 -0.000 -2.715) 2.715 5.065 ( -0.079 -0.000 -3.342) 3.343 5.291 ( 1.617 -0.000 -1.368) 2.118 5.327 ( -2.149 -0.000 -1.181) 2.452 5.568 ( 1.278 -0.000 -3.089) 3.343 5.591 ( -1.224 -0.000 -3.267) 3.489 5.763 ( 0.791 -0.000 -0.805) 1.128 5.770 ( 0.286 0.000 0.494) 0.571 5.798 ( 0.918 0.000 1.572) 1.821 5.830 ( -2.259 0.000 2.583) 3.432 6.054 ( 0.546 -0.000 -0.726) 0.908 6.062 ( -0.356 -0.000 -1.170) 1.223 7.429 ( 1.687 -0.000 -2.036) 2.645 7.466 ( -2.156 -0.000 -1.801) 2.809 9.315 ( -0.519 0.000 0.006) 0.519 9.316 ( -0.620 0.000 0.148) 0.637 9.525 ( 0.694 -0.000 -0.550) 0.885 9.530 ( 0.141 -0.000 -0.596) 0.613 9.880 ( -0.737 -0.000 -0.356) 0.818 9.882 ( -0.926 -0.000 -0.822) 1.238 ======================= Grid point 224 (81/100) ======================= q-point: ( 0.00 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 0.620 -9.069) 9.090 0.807 ( 0.000 -2.283 -4.831) 5.344 0.869 ( 0.000 -0.306 -7.949) 7.955 1.041 ( 0.000 0.644 3.900) 3.953 1.259 ( 0.000 0.188 0.705) 0.729 1.335 ( 0.000 -0.076 2.703) 2.704 1.402 ( 0.000 1.091 -14.696) 14.736 1.821 ( 0.000 -3.616 -6.525) 7.460 1.840 ( 0.000 -0.727 3.441) 3.517 1.867 ( 0.000 1.762 -9.709) 9.868 1.955 ( 0.000 0.272 4.573) 4.581 2.160 ( 0.000 -2.421 -4.889) 5.456 2.311 ( 0.000 1.061 4.055) 4.192 2.346 ( 0.000 -0.117 -1.985) 1.989 2.360 ( 0.000 0.123 0.794) 0.803 2.431 ( 0.000 0.010 0.906) 0.906 2.546 ( 0.000 -0.367 -5.701) 5.713 2.658 ( 0.000 0.357 -2.004) 2.035 2.749 ( 0.000 0.985 2.860) 3.025 3.015 ( 0.000 0.111 0.221) 0.247 3.608 ( 0.000 0.329 3.539) 3.554 3.801 ( 0.000 -0.027 1.482) 1.483 3.969 ( 0.000 0.017 -0.693) 0.693 4.094 ( 0.000 0.013 7.009) 7.009 4.427 ( 0.000 -0.304 3.720) 3.732 4.676 ( 0.000 0.219 -1.463) 1.479 4.690 ( 0.000 -0.020 -2.090) 2.090 4.746 ( 0.000 -0.006 0.327) 0.327 4.991 ( 0.000 -0.142 -5.018) 5.020 5.027 ( 0.000 0.002 -0.843) 0.843 5.203 ( 0.000 -0.086 -3.209) 3.210 5.374 ( 0.000 0.036 -4.027) 4.027 5.478 ( 0.000 0.009 0.452) 0.452 5.575 ( 0.000 0.020 -3.514) 3.514 5.691 ( 0.000 -0.002 -1.046) 1.046 5.781 ( 0.000 -0.008 -0.660) 0.660 5.796 ( 0.000 -0.023 2.460) 2.460 5.998 ( 0.000 -0.024 0.895) 0.896 6.004 ( 0.000 0.042 1.038) 1.039 6.036 ( 0.000 0.048 -2.132) 2.133 7.345 ( 0.000 0.144 -2.218) 2.222 7.516 ( 0.000 -0.102 -1.573) 1.576 9.374 ( 0.000 -0.286 -0.284) 0.403 9.379 ( 0.000 0.155 0.609) 0.628 9.455 ( 0.000 -0.307 -0.385) 0.492 9.485 ( 0.000 0.215 -1.021) 1.044 9.933 ( 0.000 0.076 -2.042) 2.043 9.974 ( 0.000 0.528 0.949) 1.086 ======================= Grid point 225 (82/100) ======================= q-point: ( 0.14 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 4.810 1.121 -7.622) 9.082 0.794 ( -0.852 -1.788 -5.951) 6.272 1.006 ( 12.915 -0.519 -7.206) 14.798 1.116 ( 6.800 0.392 5.364) 8.670 1.296 ( 3.520 0.284 0.957) 3.659 1.370 ( 3.359 -0.043 2.137) 3.981 1.422 ( 2.512 1.026 -11.482) 11.799 1.782 ( -3.370 -1.795 -6.373) 7.430 1.818 ( -2.015 0.137 -5.884) 6.221 1.890 ( 2.312 -0.472 -3.518) 4.236 2.010 ( 4.266 0.094 4.856) 6.464 2.149 ( -1.172 -1.825 -2.917) 3.635 2.285 ( -2.269 -2.753 0.388) 3.589 2.319 ( -0.664 2.889 0.504) 3.007 2.409 ( 1.784 -0.577 -0.663) 1.988 2.419 ( 0.624 0.852 -0.633) 1.231 2.586 ( 2.582 -1.056 -2.262) 3.592 2.642 ( -1.515 0.728 -1.420) 2.201 2.748 ( 0.571 1.098 1.331) 1.818 3.019 ( 0.276 0.098 0.317) 0.432 3.611 ( 0.452 0.269 3.469) 3.508 3.787 ( -1.414 -0.007 1.503) 2.064 3.997 ( 2.738 0.064 -0.457) 2.777 4.094 ( -0.003 0.028 6.573) 6.573 4.412 ( -1.412 -0.271 3.555) 3.835 4.628 ( -3.452 0.184 -1.571) 3.797 4.713 ( 0.882 -0.026 -1.551) 1.784 4.739 ( -0.694 -0.027 0.202) 0.723 4.986 ( -0.446 -0.157 -5.092) 5.114 5.025 ( -0.292 0.007 -1.466) 1.495 5.208 ( 0.646 -0.056 -2.816) 2.890 5.362 ( -1.215 0.048 -3.360) 3.573 5.485 ( 0.699 -0.011 -0.268) 0.749 5.567 ( -0.768 0.008 -3.377) 3.463 5.701 ( 0.993 -0.003 -1.046) 1.442 5.777 ( -0.355 -0.002 -0.473) 0.591 5.802 ( 0.612 -0.023 2.243) 2.325 5.966 ( -2.119 0.027 1.599) 2.654 6.023 ( 0.837 -0.011 0.223) 0.866 6.035 ( -0.091 0.044 -2.088) 2.091 7.348 ( 0.325 0.128 -2.208) 2.235 7.503 ( -1.257 -0.111 -1.645) 2.074 9.359 ( -1.361 -0.046 -0.394) 1.417 9.367 ( -1.119 -0.097 0.700) 1.324 9.469 ( 1.208 -0.455 -0.484) 1.378 9.493 ( 0.759 0.440 -0.834) 1.211 9.917 ( -1.517 0.049 -1.950) 2.471 9.955 ( -1.921 0.444 0.689) 2.089 ======================= Grid point 226 (83/100) ======================= q-point: ( 0.29 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 3.852 0.784 -6.638) 7.715 0.790 ( 0.515 -0.118 -7.316) 7.335 1.242 ( 7.651 -1.663 1.704) 8.013 1.255 ( 8.600 0.378 0.750) 8.641 1.378 ( 4.735 0.833 1.317) 4.985 1.454 ( 5.195 -0.093 1.469) 5.399 1.506 ( 6.195 0.788 -4.721) 7.829 1.721 ( -1.919 -0.352 -10.735) 10.911 1.768 ( -3.392 -0.002 -11.657) 12.140 1.936 ( 2.213 -0.795 -2.168) 3.198 2.073 ( 1.639 -0.161 5.750) 5.981 2.111 ( -2.899 -0.414 1.153) 3.147 2.256 ( -0.405 -5.273 -1.837) 5.599 2.313 ( 0.028 3.885 -1.211) 4.070 2.423 ( 1.517 0.355 -1.314) 2.038 2.467 ( 2.495 -0.673 -0.050) 2.585 2.591 ( -1.970 -1.219 -1.010) 2.527 2.612 ( -1.479 1.498 0.874) 2.279 2.801 ( 4.931 0.778 -0.636) 5.033 3.017 ( -0.692 0.097 0.432) 0.821 3.627 ( 1.306 0.157 3.250) 3.506 3.751 ( -2.253 0.031 1.693) 2.818 4.058 ( 3.275 0.098 0.344) 3.294 4.095 ( 0.251 0.100 5.414) 5.421 4.385 ( -0.933 -0.160 2.995) 3.141 4.553 ( -4.465 0.198 -0.928) 4.565 4.719 ( -0.291 -0.432 -0.883) 1.025 4.725 ( -0.544 0.204 -0.313) 0.660 4.979 ( -0.171 -0.186 -5.108) 5.114 5.014 ( -0.813 0.026 -2.827) 2.942 5.228 ( 1.438 0.003 -2.069) 2.520 5.333 ( -1.779 0.065 -2.412) 2.998 5.500 ( 0.803 -0.039 -1.353) 1.574 5.549 ( -1.001 -0.014 -3.071) 3.230 5.723 ( 1.276 -0.003 -0.993) 1.617 5.770 ( -0.419 0.009 -0.563) 0.702 5.818 ( 1.081 -0.017 2.270) 2.514 5.923 ( -2.376 0.029 2.054) 3.141 6.033 ( 0.199 -0.040 -0.815) 0.839 6.034 ( -0.004 0.052 -1.663) 1.664 7.360 ( 0.992 0.079 -2.172) 2.389 7.471 ( -2.145 -0.113 -1.813) 2.811 9.332 ( -1.348 0.016 -0.226) 1.367 9.342 ( -1.435 -0.117 0.439) 1.506 9.494 ( 1.260 -0.639 -0.589) 1.530 9.509 ( 0.795 0.674 -0.584) 1.195 9.884 ( -1.695 0.012 -1.633) 2.354 9.911 ( -2.435 0.366 0.115) 2.465 ======================= Grid point 227 (84/100) ======================= q-point: ( 0.43 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 1.330 -0.778 -6.536) 6.715 0.805 ( 0.723 2.185 -7.452) 7.799 1.337 ( 3.380 -1.174 6.401) 7.333 1.358 ( 1.976 -0.286 2.880) 3.504 1.456 ( 3.329 0.521 1.470) 3.677 1.502 ( -0.977 0.004 4.669) 4.770 1.604 ( 4.073 0.071 -12.862) 13.492 1.687 ( -4.434 -0.523 -13.944) 14.641 1.798 ( 8.703 1.027 -9.539) 12.954 1.937 ( -3.896 -0.208 -6.381) 7.479 2.054 ( -1.273 -1.741 5.903) 6.284 2.079 ( -0.821 1.206 6.057) 6.230 2.262 ( 0.458 -5.190 -1.909) 5.549 2.317 ( 0.192 3.505 -1.629) 3.870 2.462 ( 2.077 -1.334 -0.197) 2.476 2.504 ( 1.249 0.250 -0.452) 1.351 2.547 ( -2.028 -1.395 -0.673) 2.552 2.584 ( -1.172 2.430 0.721) 2.793 2.903 ( 5.216 0.226 -0.212) 5.226 2.984 ( -2.998 0.214 0.268) 3.018 3.661 ( 2.170 0.071 2.792) 3.537 3.706 ( -2.499 0.055 2.162) 3.305 4.099 ( 0.733 -0.372 2.770) 2.889 4.105 ( 0.697 0.642 3.187) 3.325 4.396 ( 2.310 -0.013 1.620) 2.822 4.465 ( -4.564 0.153 0.136) 4.568 4.711 ( -0.284 -0.791 -0.508) 0.982 4.719 ( -0.208 0.436 -0.675) 0.830 4.982 ( 0.411 -0.332 -4.726) 4.756 4.997 ( -0.849 0.170 -4.067) 4.158 5.260 ( 1.890 0.049 -1.697) 2.541 5.297 ( -1.966 0.069 -1.838) 2.693 5.515 ( 0.790 -0.048 -2.134) 2.276 5.531 ( -0.903 -0.032 -2.668) 2.816 5.745 ( 1.003 0.003 -0.894) 1.344 5.760 ( -0.598 0.012 -0.753) 0.961 5.843 ( 1.618 -0.007 2.361) 2.862 5.879 ( -2.152 0.017 2.305) 3.154 6.034 ( 0.049 0.003 -1.653) 1.654 6.035 ( -0.045 -0.002 -1.190) 1.191 7.386 ( 1.843 0.002 -2.103) 2.797 7.427 ( -2.355 -0.074 -1.984) 3.080 9.314 ( -0.363 0.000 -0.040) 0.365 9.319 ( -0.830 -0.050 0.172) 0.849 9.513 ( 0.716 -0.340 -0.593) 0.990 9.519 ( 0.135 0.330 -0.543) 0.650 9.863 ( -0.402 0.097 -1.122) 1.196 9.873 ( -1.398 0.310 -0.513) 1.521 ======================= Grid point 231 (85/100) ======================= q-point: ( 0.00 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 -0.092 -7.784) 7.784 0.731 ( 0.000 1.207 -5.423) 5.556 0.750 ( 0.000 -10.405 -0.930) 10.446 0.954 ( 0.000 0.736 -21.988) 22.000 1.080 ( 0.000 1.783 0.190) 1.793 1.278 ( 0.000 -0.581 0.748) 0.947 1.382 ( 0.000 -0.184 1.867) 1.876 1.474 ( 0.000 -0.225 -20.011) 20.013 1.882 ( 0.000 0.130 5.026) 5.028 1.913 ( 0.000 -1.689 4.123) 4.455 2.034 ( 0.000 0.863 2.919) 3.044 2.163 ( 0.000 -0.818 2.286) 2.428 2.307 ( 0.000 0.091 -1.832) 1.834 2.342 ( 0.000 -3.424 -1.406) 3.702 2.421 ( 0.000 2.852 -0.117) 2.854 2.442 ( 0.000 -0.197 0.229) 0.302 2.464 ( 0.000 -2.557 2.433) 3.530 2.627 ( 0.000 4.142 -1.742) 4.494 2.814 ( 0.000 -0.087 2.790) 2.791 3.017 ( 0.000 0.155 -0.093) 0.181 3.642 ( 0.000 0.835 0.145) 0.847 3.806 ( 0.000 0.199 -0.327) 0.383 3.958 ( 0.000 -0.017 -0.413) 0.413 4.256 ( 0.000 0.130 8.663) 8.664 4.490 ( 0.000 -0.988 2.551) 2.736 4.625 ( 0.000 0.448 -4.017) 4.041 4.654 ( 0.000 -0.022 -1.415) 1.415 4.761 ( 0.000 -0.078 1.119) 1.121 4.901 ( 0.000 0.016 -3.457) 3.457 5.013 ( 0.000 0.011 -0.550) 0.550 5.141 ( 0.000 -0.477 -2.563) 2.607 5.307 ( 0.000 0.276 -2.590) 2.604 5.485 ( 0.000 0.015 0.262) 0.263 5.516 ( 0.000 0.018 -2.267) 2.267 5.674 ( 0.000 -0.006 -0.594) 0.594 5.770 ( 0.000 -0.016 -0.403) 0.404 5.836 ( 0.000 0.031 1.540) 1.540 5.998 ( 0.000 0.058 -1.586) 1.587 6.011 ( 0.000 -0.047 0.479) 0.482 6.017 ( 0.000 0.034 0.294) 0.296 7.311 ( 0.000 0.210 -1.286) 1.303 7.488 ( 0.000 -0.258 -1.013) 1.046 9.361 ( 0.000 0.043 -0.662) 0.663 9.398 ( 0.000 -0.298 1.106) 1.145 9.440 ( 0.000 -1.372 -0.578) 1.488 9.476 ( 0.000 1.154 -0.341) 1.203 9.884 ( 0.000 0.119 -2.778) 2.781 9.993 ( 0.000 0.910 0.458) 1.018 ======================= Grid point 232 (86/100) ======================= q-point: ( 0.14 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 6.294 2.365 -6.051) 9.045 0.712 ( -1.885 -8.032 -0.955) 8.306 0.850 ( 8.681 -0.485 -9.599) 12.951 1.015 ( 9.059 0.355 -18.137) 20.276 1.188 ( 9.316 2.262 1.558) 9.712 1.311 ( 2.130 1.372 -2.754) 3.742 1.423 ( 4.048 0.009 1.805) 4.432 1.503 ( 3.241 -1.895 -13.883) 14.381 1.828 ( -4.256 -0.666 5.119) 6.691 1.913 ( -0.676 -0.109 3.346) 3.415 2.086 ( 4.182 -0.265 2.464) 4.861 2.172 ( 0.788 -1.098 2.183) 2.568 2.246 ( -3.826 -2.028 -1.076) 4.461 2.322 ( -3.406 0.951 -3.835) 5.217 2.419 ( 1.720 0.077 0.141) 1.727 2.446 ( 1.051 -0.201 4.858) 4.975 2.538 ( 3.829 -2.276 -1.143) 4.599 2.632 ( 0.616 3.709 -0.929) 3.872 2.788 ( -1.758 0.051 1.544) 2.341 3.023 ( 0.470 0.210 0.053) 0.517 3.644 ( 0.326 0.589 0.186) 0.698 3.792 ( -1.424 0.229 -0.425) 1.504 3.990 ( 3.189 0.138 -0.270) 3.204 4.244 ( -1.240 0.142 7.751) 7.851 4.472 ( -1.619 -0.974 2.406) 3.059 4.589 ( -2.632 0.417 -2.574) 3.705 4.680 ( 1.509 -0.041 -1.728) 2.294 4.751 ( -0.944 -0.060 1.033) 1.401 4.892 ( -0.830 -0.030 -3.765) 3.856 4.994 ( -1.760 -0.115 -1.475) 2.299 5.158 ( 1.558 -0.314 -1.954) 2.519 5.302 ( -0.559 0.234 -2.411) 2.486 5.485 ( -0.048 -0.001 0.064) 0.080 5.511 ( -0.495 -0.013 -2.120) 2.177 5.684 ( 1.000 -0.008 -0.597) 1.165 5.767 ( -0.342 -0.004 -0.415) 0.538 5.842 ( 0.591 0.001 1.575) 1.682 5.991 ( -1.469 -0.007 0.799) 1.672 5.998 ( -0.134 0.110 -1.485) 1.495 6.023 ( 0.100 -0.039 -0.179) 0.209 7.313 ( 0.332 0.189 -1.273) 1.329 7.474 ( -1.385 -0.267 -1.067) 1.768 9.350 ( -1.118 0.052 -0.500) 1.225 9.381 ( -1.502 -0.419 0.750) 1.731 9.451 ( 1.067 -1.456 -0.581) 1.896 9.491 ( 1.237 1.579 -0.041) 2.006 9.872 ( -1.136 0.045 -2.455) 2.705 9.968 ( -2.432 0.627 0.274) 2.526 ======================= Grid point 233 (87/100) ======================= q-point: ( 0.29 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 3.559 2.423 -6.388) 7.704 0.680 ( -0.976 -2.359 -2.394) 3.500 0.996 ( 7.143 -1.949 -18.742) 20.152 1.268 ( 8.779 -0.441 -8.776) 12.421 1.329 ( 6.832 3.378 -8.467) 11.392 1.372 ( 7.258 1.663 2.613) 7.891 1.514 ( 4.860 0.975 1.553) 5.194 1.582 ( 4.080 -2.614 -0.726) 4.900 1.746 ( -3.885 -1.475 6.440) 7.664 1.892 ( -1.362 0.572 -0.156) 1.485 2.125 ( -1.973 -2.399 -1.403) 3.408 2.177 ( 0.498 0.576 1.634) 1.803 2.217 ( 0.734 -3.090 2.563) 4.081 2.268 ( -1.295 1.181 -3.988) 4.356 2.453 ( 1.958 0.010 1.024) 2.209 2.472 ( 1.432 0.214 3.159) 3.475 2.569 ( -0.238 -1.853 -0.342) 1.899 2.632 ( -1.118 0.538 -0.424) 1.311 2.805 ( 4.121 1.526 0.064) 4.395 3.024 ( -0.647 0.320 0.168) 0.741 3.657 ( 1.044 0.334 0.206) 1.116 3.758 ( -2.031 0.342 -0.453) 2.109 4.065 ( 4.364 0.246 0.174) 4.374 4.215 ( -1.676 0.179 5.662) 5.908 4.441 ( -1.357 -0.691 2.344) 2.795 4.535 ( -3.100 0.398 -0.945) 3.265 4.700 ( 0.534 -0.228 -0.707) 0.915 4.731 ( -1.078 -0.031 0.810) 1.349 4.879 ( -0.340 -0.125 -4.423) 4.438 4.955 ( -2.274 -0.222 -2.880) 3.676 5.193 ( 1.989 -0.101 -1.360) 2.412 5.287 ( -1.082 0.172 -1.983) 2.265 5.484 ( -0.025 -0.034 -0.411) 0.413 5.500 ( -0.598 -0.049 -1.791) 1.889 5.707 ( 1.333 -0.010 -0.582) 1.455 5.758 ( -0.501 0.014 -0.449) 0.673 5.858 ( 1.158 -0.023 1.674) 2.035 5.957 ( -1.996 0.030 1.377) 2.425 5.997 ( 0.057 0.056 -1.641) 1.643 6.020 ( -0.426 -0.025 -0.750) 0.863 7.325 ( 0.993 0.129 -1.254) 1.605 7.439 ( -2.281 -0.244 -1.167) 2.574 9.327 ( -1.129 0.038 -0.261) 1.159 9.349 ( -1.735 -0.336 0.358) 1.803 9.475 ( 1.387 -1.299 -0.512) 1.968 9.511 ( 0.689 1.517 0.016) 1.666 9.850 ( -1.013 0.046 -1.705) 1.984 9.914 ( -2.980 0.458 -0.062) 3.016 ======================= Grid point 234 (88/100) ======================= q-point: ( 0.43 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 1.426 1.446 -5.396) 5.765 0.676 ( 0.126 1.929 -5.507) 5.836 1.128 ( 6.608 -1.385 -18.234) 19.444 1.243 ( -4.482 0.755 -17.357) 17.942 1.476 ( 4.338 0.024 4.244) 6.068 1.519 ( 2.785 0.689 1.874) 3.427 1.594 ( 3.951 1.132 1.539) 4.388 1.627 ( 0.350 -1.150 5.719) 5.844 1.732 ( 4.316 -0.999 2.784) 5.232 1.846 ( -4.404 0.800 -1.876) 4.853 2.081 ( -1.443 -2.896 -2.817) 4.290 2.157 ( -1.492 2.445 -1.748) 3.355 2.240 ( 0.910 -3.534 3.100) 4.788 2.273 ( 0.599 -1.345 -1.056) 1.812 2.490 ( 1.123 0.840 1.092) 1.777 2.496 ( 1.427 0.123 1.107) 1.810 2.549 ( -1.446 -2.312 1.341) 3.039 2.611 ( -0.714 0.624 -0.204) 0.970 2.904 ( 5.387 1.085 -0.077) 5.496 2.989 ( -3.191 0.616 0.043) 3.250 3.683 ( 1.698 0.322 0.021) 1.729 3.719 ( -2.050 0.380 -0.276) 2.103 4.139 ( 3.081 0.162 1.387) 3.382 4.184 ( -1.678 0.287 3.303) 3.716 4.434 ( 0.903 -0.265 1.989) 2.201 4.475 ( -3.003 0.192 0.723) 3.095 4.704 ( 0.018 -0.454 0.276) 0.531 4.715 ( -0.475 0.083 0.341) 0.591 4.885 ( 0.902 -0.285 -4.519) 4.617 4.914 ( -1.863 -0.158 -3.999) 4.415 5.229 ( 1.870 0.032 -1.280) 2.266 5.262 ( -1.536 0.116 -1.541) 2.179 5.485 ( 0.145 -0.059 -0.936) 0.949 5.490 ( -0.406 -0.060 -1.396) 1.455 5.731 ( 1.086 0.001 -0.544) 1.215 5.747 ( -0.700 0.015 -0.498) 0.859 5.885 ( 1.628 -0.018 1.750) 2.390 5.919 ( -1.973 0.010 1.665) 2.582 6.001 ( 0.351 0.025 -1.549) 1.588 6.010 ( -0.571 -0.001 -1.249) 1.373 7.352 ( 1.846 0.011 -1.251) 2.230 7.393 ( -2.418 -0.139 -1.234) 2.718 9.313 ( -0.179 -0.022 -0.076) 0.196 9.322 ( -1.039 -0.149 0.105) 1.055 9.500 ( 1.103 -0.585 -0.396) 1.310 9.514 ( -0.334 0.555 -0.205) 0.680 9.842 ( 0.326 0.276 -0.954) 1.045 9.865 ( -1.993 0.503 -0.450) 2.104 ======================= Grid point 238 (89/100) ======================= q-point: ( 0.00 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 0.000 -3.150 -0.000) 3.150 0.480 ( 0.000 -10.613 -0.000) 10.613 0.691 ( 0.000 3.849 0.000) 3.849 0.845 ( 0.000 -16.695 -0.000) 16.695 1.094 ( 0.000 2.805 0.000) 2.805 1.237 ( 0.000 7.942 0.000) 7.942 1.278 ( 0.000 -1.268 -0.000) 1.268 1.399 ( 0.000 -0.667 -0.000) 0.667 1.948 ( 0.000 -0.572 -0.000) 0.572 1.949 ( 0.000 -2.170 -0.000) 2.170 2.072 ( 0.000 1.206 0.000) 1.206 2.189 ( 0.000 -0.255 -0.000) 0.255 2.286 ( 0.000 0.277 0.000) 0.277 2.289 ( 0.000 -2.525 -0.000) 2.525 2.411 ( 0.000 2.419 0.000) 2.419 2.442 ( 0.000 -0.341 -0.000) 0.341 2.502 ( 0.000 -3.275 -0.000) 3.275 2.643 ( 0.000 4.655 0.000) 4.655 2.851 ( 0.000 1.185 0.000) 1.185 3.016 ( 0.000 0.166 0.000) 0.166 3.646 ( 0.000 1.579 0.000) 1.579 3.805 ( 0.000 0.493 0.000) 0.493 3.953 ( 0.000 -0.057 -0.000) 0.057 4.378 ( 0.000 0.255 0.000) 0.255 4.502 ( 0.000 -1.810 -0.000) 1.810 4.561 ( 0.000 0.695 0.000) 0.695 4.639 ( 0.000 -0.018 -0.000) 0.018 4.776 ( 0.000 -0.068 -0.000) 0.068 4.868 ( 0.000 0.260 0.000) 0.260 5.007 ( 0.000 0.019 0.000) 0.019 5.109 ( 0.000 -0.812 -0.000) 0.812 5.283 ( 0.000 0.451 0.000) 0.451 5.488 ( 0.000 0.020 0.000) 0.020 5.491 ( 0.000 -0.168 -0.000) 0.168 5.668 ( 0.000 -0.009 -0.000) 0.009 5.766 ( 0.000 -0.021 -0.000) 0.021 5.853 ( 0.000 0.136 0.000) 0.136 5.982 ( 0.000 0.103 0.000) 0.103 6.016 ( 0.000 -0.063 -0.000) 0.063 6.018 ( 0.000 -0.151 -0.000) 0.151 7.299 ( 0.000 0.259 0.000) 0.259 7.476 ( 0.000 -0.370 -0.000) 0.370 9.354 ( 0.000 0.046 0.000) 0.046 9.411 ( 0.000 -0.161 -0.000) 0.161 9.424 ( 0.000 -1.579 -0.000) 1.579 9.481 ( 0.000 1.263 0.000) 1.263 9.844 ( 0.000 -1.001 -0.000) 1.001 10.003 ( 0.000 1.028 0.000) 1.028 ======================= Grid point 239 (90/100) ======================= q-point: ( 0.14 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 4.299 -0.335 -0.000) 4.312 0.526 ( 9.163 -7.763 -0.000) 12.009 0.753 ( -2.100 -8.397 -0.000) 8.656 0.901 ( 14.579 -0.325 -0.000) 14.583 1.191 ( 1.013 6.199 0.000) 6.281 1.251 ( 7.921 4.300 0.000) 9.013 1.385 ( 8.686 -2.886 -0.000) 9.153 1.451 ( 5.333 0.579 0.000) 5.364 1.878 ( -4.098 -2.115 -0.000) 4.612 1.972 ( -0.994 0.966 0.000) 1.386 2.106 ( 2.967 -0.326 -0.000) 2.985 2.171 ( -2.153 -1.021 -0.000) 2.383 2.238 ( -1.777 -1.294 -0.000) 2.198 2.279 ( -2.383 1.372 0.000) 2.750 2.412 ( 1.704 -0.898 -0.000) 1.926 2.502 ( 2.543 -0.063 -0.000) 2.543 2.521 ( 2.484 -2.291 -0.000) 3.379 2.644 ( -0.377 3.385 0.000) 3.406 2.802 ( -2.981 -0.140 -0.000) 2.984 3.025 ( 0.644 0.342 0.000) 0.730 3.647 ( 0.229 0.912 0.000) 0.940 3.788 ( -1.515 0.426 0.000) 1.574 3.989 ( 3.416 0.309 0.000) 3.430 4.345 ( -3.060 0.177 0.000) 3.065 4.485 ( -1.487 -1.727 -0.000) 2.279 4.552 ( -0.937 0.595 0.000) 1.109 4.659 ( 1.711 -0.094 -0.000) 1.713 4.766 ( -0.954 -0.012 -0.000) 0.954 4.854 ( -1.297 0.182 0.000) 1.310 4.975 ( -2.773 -0.269 -0.000) 2.786 5.135 ( 2.165 -0.507 -0.000) 2.223 5.279 ( -0.413 0.377 0.000) 0.559 5.486 ( -0.240 0.005 0.000) 0.240 5.488 ( -0.318 -0.151 -0.000) 0.352 5.678 ( 0.996 -0.013 -0.000) 0.996 5.762 ( -0.351 -0.005 -0.000) 0.351 5.859 ( 0.643 0.052 0.000) 0.645 5.980 ( -0.145 0.056 0.000) 0.155 6.001 ( -1.190 -0.033 -0.000) 1.190 6.020 ( -0.214 -0.034 -0.000) 0.216 7.302 ( 0.337 0.233 0.000) 0.410 7.461 ( -1.443 -0.401 -0.000) 1.498 9.344 ( -0.948 0.049 0.000) 0.949 9.387 ( -1.904 -0.632 -0.000) 2.006 9.435 ( 1.099 -1.603 -0.000) 1.943 9.504 ( 1.598 2.235 0.000) 2.747 9.838 ( -0.537 -0.791 -0.000) 0.957 9.973 ( -2.731 0.516 0.000) 2.780 ======================= Grid point 240 (91/100) ======================= q-point: ( 0.29 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 5.049 2.274 0.000) 5.537 0.634 ( 0.982 -6.738 -0.000) 6.809 0.768 ( 5.789 -0.741 -0.000) 5.836 1.134 ( -2.983 4.030 0.000) 5.014 1.262 ( 17.765 1.555 0.000) 17.833 1.420 ( 7.638 1.913 0.000) 7.874 1.531 ( 5.963 -0.940 -0.000) 6.036 1.587 ( 7.772 -0.707 -0.000) 7.804 1.802 ( -3.715 -3.510 -0.000) 5.111 1.926 ( -3.295 1.869 0.000) 3.789 2.102 ( -2.909 0.812 0.000) 3.021 2.146 ( -2.411 0.611 0.000) 2.487 2.220 ( 1.418 -2.036 -0.000) 2.481 2.266 ( 0.560 -1.565 -0.000) 1.662 2.448 ( 1.969 -0.920 -0.000) 2.173 2.537 ( 1.709 -2.155 -0.000) 2.750 2.559 ( 0.455 0.456 0.000) 0.644 2.606 ( -2.623 -0.948 -0.000) 2.789 2.816 ( 4.114 1.792 0.000) 4.488 3.028 ( -0.593 0.488 0.000) 0.767 3.659 ( 1.006 0.434 0.000) 1.095 3.755 ( -1.962 0.603 0.000) 2.052 4.069 ( 4.721 0.442 0.000) 4.742 4.281 ( -3.454 0.229 0.000) 3.462 4.458 ( -1.039 -1.109 -0.000) 1.520 4.526 ( -1.818 0.384 0.000) 1.858 4.691 ( 1.472 -0.210 -0.000) 1.487 4.745 ( -1.151 0.105 0.000) 1.156 4.829 ( -0.996 -0.024 -0.000) 0.996 4.918 ( -3.129 -0.502 -0.000) 3.169 5.177 ( 2.210 -0.200 -0.000) 2.219 5.267 ( -0.859 0.261 0.000) 0.898 5.480 ( -0.314 -0.038 -0.000) 0.316 5.481 ( -0.366 -0.113 -0.000) 0.383 5.701 ( 1.349 -0.019 -0.000) 1.349 5.754 ( -0.521 0.017 0.000) 0.521 5.877 ( 1.255 -0.013 -0.000) 1.256 5.973 ( -1.613 -0.047 -0.000) 1.614 5.979 ( -0.095 0.077 0.000) 0.122 6.010 ( -0.779 0.019 0.000) 0.779 7.314 ( 0.970 0.168 0.000) 0.985 7.425 ( -2.299 -0.356 -0.000) 2.327 9.324 ( -1.011 0.039 0.000) 1.012 9.350 ( -1.855 -0.534 -0.000) 1.930 9.462 ( 1.592 -1.361 -0.000) 2.094 9.523 ( 0.270 1.921 0.000) 1.940 9.829 ( -0.263 -0.225 -0.000) 0.346 9.915 ( -3.123 0.390 0.000) 3.147 ======================= Grid point 241 (92/100) ======================= q-point: ( 0.43 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 2.951 3.566 0.000) 4.629 0.639 ( -0.270 1.358 0.000) 1.385 0.902 ( 7.565 -1.096 -0.000) 7.644 1.038 ( -6.456 1.252 0.000) 6.576 1.517 ( 5.918 0.450 0.000) 5.935 1.546 ( 4.764 0.935 0.000) 4.855 1.615 ( 4.770 3.244 0.000) 5.769 1.684 ( 0.653 -2.482 -0.000) 2.567 1.767 ( 2.100 -5.607 -0.000) 5.987 1.855 ( -4.587 0.224 0.000) 4.592 2.058 ( -1.103 2.309 0.000) 2.559 2.079 ( -3.184 2.467 0.000) 4.028 2.257 ( 1.563 -3.628 -0.000) 3.951 2.273 ( -0.102 -3.151 -0.000) 3.153 2.487 ( 2.159 -0.634 -0.000) 2.251 2.529 ( -2.326 -0.946 -0.000) 2.511 2.567 ( 1.318 -0.671 -0.000) 1.479 2.585 ( -0.569 -0.857 -0.000) 1.029 2.912 ( 5.258 1.599 0.000) 5.495 2.994 ( -3.171 0.914 0.000) 3.300 3.684 ( 1.597 0.520 0.000) 1.680 3.717 ( -1.928 0.670 0.000) 2.041 4.154 ( 4.036 0.367 0.000) 4.053 4.219 ( -3.145 0.299 0.000) 3.159 4.454 ( 0.776 -0.478 -0.000) 0.912 4.486 ( -2.259 0.004 0.000) 2.259 4.711 ( 0.753 -0.078 -0.000) 0.757 4.725 ( -0.868 0.095 0.000) 0.873 4.828 ( 1.005 -0.326 -0.000) 1.056 4.863 ( -2.519 -0.521 -0.000) 2.572 5.216 ( 1.834 -0.001 -0.000) 1.834 5.246 ( -1.358 0.142 0.000) 1.366 5.475 ( -0.131 -0.070 -0.000) 0.148 5.476 ( -0.162 -0.084 -0.000) 0.182 5.725 ( 1.114 -0.004 -0.000) 1.114 5.742 ( -0.729 0.016 0.000) 0.729 5.905 ( 1.669 -0.030 -0.000) 1.669 5.939 ( -1.854 -0.030 -0.000) 1.855 5.982 ( 0.414 0.046 0.000) 0.416 5.994 ( -0.808 0.030 0.000) 0.809 7.340 ( 1.789 0.019 0.000) 1.789 7.380 ( -2.378 -0.191 -0.000) 2.386 9.312 ( -0.115 -0.041 -0.000) 0.122 9.321 ( -1.089 -0.240 -0.000) 1.115 9.492 ( 1.522 -0.623 -0.000) 1.644 9.516 ( -0.925 0.600 0.000) 1.103 9.834 ( 0.878 0.381 0.000) 0.957 9.863 ( -2.248 0.574 0.000) 2.320 ======================= Grid point 287 (93/100) ======================= q-point: ( 0.00 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 0.000 -0.000 -7.470) 7.470 0.726 ( 0.000 -0.000 -5.810) 5.810 0.828 ( 0.000 0.000 6.333) 6.333 0.931 ( 0.000 -0.000 -26.628) 26.628 1.069 ( 0.000 0.000 0.029) 0.029 1.282 ( 0.000 0.000 1.010) 1.010 1.383 ( 0.000 0.000 1.837) 1.837 1.480 ( 0.000 -0.000 -21.301) 21.301 1.879 ( 0.000 0.000 4.914) 4.914 1.924 ( 0.000 0.000 4.246) 4.246 2.029 ( 0.000 0.000 2.766) 2.766 2.168 ( 0.000 0.000 1.965) 1.965 2.306 ( 0.000 -0.000 -1.892) 1.892 2.381 ( 0.000 -0.000 -3.849) 3.849 2.382 ( 0.000 0.000 1.078) 1.078 2.443 ( 0.000 0.000 0.257) 0.257 2.488 ( 0.000 0.000 5.415) 5.415 2.595 ( 0.000 -0.000 -3.246) 3.246 2.815 ( 0.000 0.000 2.517) 2.517 3.016 ( 0.000 -0.000 -0.075) 0.075 3.636 ( 0.000 0.000 0.012) 0.012 3.805 ( 0.000 -0.000 -0.418) 0.418 3.958 ( 0.000 -0.000 -0.399) 0.399 4.255 ( 0.000 0.000 8.655) 8.655 4.496 ( 0.000 0.000 2.732) 2.732 4.622 ( 0.000 -0.000 -4.068) 4.068 4.654 ( 0.000 -0.000 -1.420) 1.420 4.762 ( 0.000 0.000 1.124) 1.124 4.901 ( 0.000 -0.000 -3.557) 3.557 5.013 ( 0.000 -0.000 -0.552) 0.552 5.144 ( 0.000 -0.000 -2.475) 2.475 5.306 ( 0.000 -0.000 -2.648) 2.648 5.485 ( 0.000 0.000 0.263) 0.263 5.516 ( 0.000 -0.000 -2.222) 2.222 5.674 ( 0.000 -0.000 -0.593) 0.593 5.770 ( 0.000 -0.000 -0.403) 0.403 5.836 ( 0.000 0.000 1.505) 1.505 5.998 ( 0.000 -0.000 -1.592) 1.592 6.012 ( 0.000 0.000 0.479) 0.479 6.017 ( 0.000 0.000 0.349) 0.349 7.309 ( 0.000 -0.000 -1.271) 1.271 7.489 ( 0.000 -0.000 -1.002) 1.002 9.361 ( 0.000 -0.000 -0.678) 0.678 9.399 ( 0.000 0.000 1.082) 1.082 9.452 ( 0.000 -0.000 -0.137) 0.137 9.465 ( 0.000 -0.000 -0.772) 0.772 9.884 ( 0.000 -0.000 -2.510) 2.510 9.987 ( 0.000 0.000 0.489) 0.489 ======================= Grid point 289 (94/100) ======================= q-point: ( 0.14 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 5.700 -0.000 -6.163) 8.395 0.771 ( -4.606 0.000 3.411) 5.732 0.847 ( 10.316 -0.000 -11.380) 15.360 1.011 ( 9.706 -0.000 -18.891) 21.239 1.174 ( 9.119 0.000 1.093) 9.185 1.300 ( 1.095 -0.000 -3.703) 3.861 1.423 ( 3.928 0.000 1.937) 4.380 1.519 ( 3.899 -0.000 -13.528) 14.078 1.831 ( -3.963 0.000 5.575) 6.840 1.913 ( -1.108 0.000 2.685) 2.904 2.087 ( 4.716 0.000 2.524) 5.349 2.179 ( 0.798 0.000 1.907) 2.067 2.262 ( -3.000 -0.000 -1.456) 3.335 2.312 ( -4.650 -0.000 -4.201) 6.266 2.420 ( 2.565 0.000 0.554) 2.624 2.444 ( 0.417 0.000 5.027) 5.044 2.568 ( 5.304 0.000 0.523) 5.329 2.595 ( -0.086 -0.000 -2.414) 2.415 2.788 ( -2.017 0.000 1.630) 2.593 3.021 ( 0.441 0.000 0.025) 0.442 3.640 ( 0.444 0.000 0.095) 0.454 3.790 ( -1.450 -0.000 -0.491) 1.531 3.989 ( 3.125 -0.000 -0.280) 3.138 4.243 ( -1.249 0.000 7.747) 7.847 4.478 ( -1.652 0.000 2.615) 3.093 4.586 ( -2.647 -0.000 -2.652) 3.747 4.680 ( 1.561 -0.000 -1.712) 2.317 4.752 ( -0.955 0.000 1.021) 1.398 4.892 ( -0.803 -0.000 -3.853) 3.936 4.995 ( -1.704 -0.000 -1.436) 2.228 5.160 ( 1.477 -0.000 -1.900) 2.407 5.301 ( -0.536 -0.000 -2.456) 2.514 5.485 ( -0.038 0.000 0.061) 0.072 5.511 ( -0.482 -0.000 -2.086) 2.141 5.684 ( 1.002 -0.000 -0.597) 1.166 5.767 ( -0.348 -0.000 -0.415) 0.542 5.842 ( 0.605 0.000 1.553) 1.667 5.991 ( -1.553 0.000 0.957) 1.824 5.997 ( -0.059 -0.000 -1.619) 1.620 6.024 ( 0.101 -0.000 -0.170) 0.198 7.312 ( 0.346 -0.000 -1.259) 1.306 7.476 ( -1.382 -0.000 -1.055) 1.739 9.349 ( -1.117 -0.000 -0.500) 1.224 9.384 ( -1.483 0.000 0.759) 1.666 9.465 ( 1.202 -0.000 -0.166) 1.214 9.476 ( 0.981 -0.000 -0.526) 1.113 9.873 ( -1.118 -0.000 -2.237) 2.500 9.964 ( -2.319 0.000 0.323) 2.341 ======================= Grid point 291 (95/100) ======================= q-point: ( 0.29 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 3.855 -0.000 -6.763) 7.785 0.696 ( -2.802 -0.000 -1.254) 3.069 1.008 ( 7.259 -0.000 -18.970) 20.311 1.286 ( -0.695 -0.000 -12.490) 12.510 1.292 ( 16.817 -0.000 -5.961) 17.842 1.360 ( 7.480 0.000 3.030) 8.071 1.508 ( 4.375 0.000 1.635) 4.671 1.599 ( 3.600 -0.000 -0.146) 3.603 1.756 ( -3.463 0.000 7.277) 8.059 1.888 ( -1.471 -0.000 -1.204) 1.901 2.154 ( 0.741 0.000 0.429) 0.856 2.160 ( -2.946 -0.000 -1.440) 3.279 2.245 ( 1.275 0.000 1.739) 2.157 2.253 ( -0.447 -0.000 -2.583) 2.622 2.458 ( 1.118 0.000 4.445) 4.584 2.462 ( 1.888 -0.000 -0.198) 1.898 2.590 ( -0.412 -0.000 -0.388) 0.565 2.622 ( -0.398 0.000 0.111) 0.413 2.796 ( 3.947 0.000 0.108) 3.949 3.022 ( -0.704 0.000 0.115) 0.714 3.654 ( 1.093 0.000 0.152) 1.104 3.756 ( -2.066 -0.000 -0.517) 2.130 4.064 ( 4.358 0.000 0.152) 4.361 4.214 ( -1.693 0.000 5.664) 5.912 4.445 ( -1.497 0.000 2.509) 2.922 4.532 ( -3.058 -0.000 -0.973) 3.209 4.701 ( 0.605 -0.000 -0.752) 0.965 4.731 ( -1.099 0.000 0.781) 1.348 4.880 ( -0.301 -0.000 -4.479) 4.489 4.956 ( -2.263 -0.000 -2.809) 3.607 5.193 ( 1.931 -0.000 -1.327) 2.343 5.286 ( -1.063 -0.000 -2.002) 2.267 5.484 ( -0.015 -0.000 -0.420) 0.420 5.500 ( -0.591 -0.000 -1.775) 1.871 5.707 ( 1.332 -0.000 -0.580) 1.453 5.758 ( -0.505 -0.000 -0.449) 0.676 5.859 ( 1.160 0.000 1.667) 2.031 5.957 ( -1.992 0.000 1.396) 2.433 5.997 ( 0.067 -0.000 -1.642) 1.643 6.020 ( -0.433 -0.000 -0.756) 0.872 7.325 ( 1.021 -0.000 -1.246) 1.611 7.440 ( -2.301 -0.000 -1.160) 2.577 9.326 ( -1.118 -0.000 -0.258) 1.148 9.351 ( -1.790 0.000 0.379) 1.830 9.490 ( 1.192 -0.000 -0.201) 1.209 9.495 ( 0.935 -0.000 -0.357) 1.001 9.850 ( -1.069 -0.000 -1.611) 1.933 9.911 ( -2.978 -0.000 -0.020) 2.978 ======================= Grid point 293 (96/100) ======================= q-point: ( 0.43 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 1.922 -0.000 -6.408) 6.690 0.665 ( -0.954 -0.000 -4.705) 4.801 1.137 ( 6.310 -0.000 -18.667) 19.705 1.237 ( -4.102 -0.000 -17.359) 17.837 1.476 ( 4.490 0.000 4.132) 6.102 1.515 ( 2.591 0.000 1.981) 3.261 1.586 ( 5.375 0.000 0.682) 5.418 1.634 ( 0.035 0.000 6.028) 6.028 1.739 ( 3.233 0.000 4.734) 5.733 1.840 ( -4.534 -0.000 -2.587) 5.220 2.114 ( -1.021 -0.000 -2.945) 3.117 2.127 ( -1.896 -0.000 -3.055) 3.596 2.271 ( 1.002 0.000 1.993) 2.231 2.273 ( 0.906 0.000 1.026) 1.369 2.483 ( 1.225 0.000 2.001) 2.346 2.489 ( 0.754 -0.000 -0.331) 0.823 2.582 ( -0.238 0.000 1.305) 1.326 2.594 ( -1.504 0.000 0.695) 1.657 2.898 ( 5.630 -0.000 -0.219) 5.634 2.985 ( -3.349 -0.000 -0.023) 3.349 3.681 ( 1.686 -0.000 -0.043) 1.687 3.717 ( -2.045 -0.000 -0.350) 2.075 4.138 ( 3.170 0.000 1.316) 3.433 4.182 ( -1.769 0.000 3.365) 3.802 4.436 ( 0.779 0.000 2.083) 2.223 4.474 ( -2.917 0.000 0.775) 3.018 4.707 ( 0.196 0.000 0.019) 0.197 4.714 ( -0.637 0.000 0.450) 0.780 4.886 ( 1.006 -0.000 -4.559) 4.669 4.915 ( -1.950 -0.000 -3.896) 4.357 5.229 ( 1.836 -0.000 -1.260) 2.227 5.261 ( -1.515 -0.000 -1.537) 2.158 5.485 ( 0.151 -0.000 -0.944) 0.956 5.490 ( -0.407 -0.000 -1.393) 1.451 5.731 ( 1.081 -0.000 -0.542) 1.209 5.747 ( -0.698 -0.000 -0.496) 0.856 5.885 ( 1.625 0.000 1.751) 2.389 5.919 ( -1.968 0.000 1.676) 2.585 6.000 ( 0.362 -0.000 -1.553) 1.594 6.010 ( -0.580 -0.000 -1.256) 1.384 7.352 ( 1.893 -0.000 -1.251) 2.269 7.394 ( -2.464 -0.000 -1.234) 2.756 9.313 ( -0.148 -0.000 -0.070) 0.164 9.322 ( -1.095 0.000 0.119) 1.102 9.506 ( 0.508 -0.000 -0.276) 0.578 9.508 ( 0.329 -0.000 -0.325) 0.462 9.840 ( 0.245 -0.000 -0.955) 0.986 9.862 ( -1.992 -0.000 -0.428) 2.038 ======================= Grid point 301 (97/100) ======================= q-point: ( 0.00 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 0.000 0.001 0.000) 0.001 0.575 ( 0.000 -4.555 -0.000) 4.555 0.667 ( 0.000 0.688 0.000) 0.688 0.985 ( 0.000 -6.301 -0.000) 6.301 1.070 ( 0.000 1.091 0.000) 1.091 1.163 ( 0.000 3.600 0.000) 3.600 1.290 ( 0.000 -0.538 -0.000) 0.538 1.402 ( 0.000 -0.001 -0.000) 0.001 1.947 ( 0.000 0.406 0.000) 0.406 1.971 ( 0.000 -1.148 -0.000) 1.148 2.059 ( 0.000 0.729 0.000) 0.729 2.192 ( 0.000 -0.193 -0.000) 0.193 2.284 ( 0.000 0.098 0.000) 0.098 2.308 ( 0.000 -0.624 -0.000) 0.624 2.395 ( 0.000 0.402 0.000) 0.402 2.444 ( 0.000 -0.117 -0.000) 0.117 2.543 ( 0.000 -3.289 -0.000) 3.289 2.592 ( 0.000 3.736 0.000) 3.736 2.837 ( 0.000 0.735 0.000) 0.735 3.015 ( 0.000 0.064 0.000) 0.064 3.633 ( 0.000 0.580 0.000) 0.580 3.800 ( 0.000 0.224 0.000) 0.224 3.954 ( 0.000 -0.022 -0.000) 0.022 4.376 ( 0.000 0.097 0.000) 0.097 4.521 ( 0.000 -1.185 -0.000) 1.185 4.552 ( 0.000 0.750 0.000) 0.750 4.639 ( 0.000 -0.007 -0.000) 0.007 4.776 ( 0.000 -0.026 -0.000) 0.026 4.866 ( 0.000 0.103 0.000) 0.103 5.007 ( 0.000 0.007 0.000) 0.007 5.116 ( 0.000 -0.336 -0.000) 0.336 5.279 ( 0.000 0.193 0.000) 0.193 5.488 ( 0.000 0.008 0.000) 0.008 5.493 ( 0.000 -0.066 -0.000) 0.066 5.668 ( 0.000 -0.004 -0.000) 0.004 5.766 ( 0.000 -0.008 -0.000) 0.008 5.852 ( 0.000 0.054 0.000) 0.054 5.981 ( 0.000 0.039 0.000) 0.039 6.016 ( 0.000 -0.025 -0.000) 0.025 6.020 ( 0.000 -0.058 -0.000) 0.058 7.297 ( 0.000 0.098 0.000) 0.098 7.479 ( 0.000 -0.142 -0.000) 0.142 9.353 ( 0.000 0.017 0.000) 0.017 9.412 ( 0.000 -0.063 -0.000) 0.063 9.444 ( 0.000 -1.614 -0.000) 1.614 9.464 ( 0.000 1.489 0.000) 1.489 9.853 ( 0.000 -0.448 -0.000) 0.448 9.993 ( 0.000 0.459 0.000) 0.459 ======================= Grid point 302 (98/100) ======================= q-point: ( 0.14 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 4.530 1.391 0.000) 4.739 0.604 ( 7.085 -4.023 -0.000) 8.148 0.840 ( 0.534 -6.042 -0.000) 6.066 0.892 ( 8.220 2.529 0.000) 8.601 1.135 ( -0.007 2.800 0.000) 2.800 1.213 ( 9.189 1.754 0.000) 9.355 1.421 ( 10.048 -2.331 -0.000) 10.315 1.445 ( 4.553 0.484 0.000) 4.578 1.902 ( -3.225 -1.587 -0.000) 3.594 1.954 ( -2.219 1.426 0.000) 2.638 2.107 ( 3.524 -0.008 -0.000) 3.524 2.180 ( -2.054 -0.412 -0.000) 2.095 2.249 ( -3.068 -0.587 -0.000) 3.123 2.265 ( -1.110 0.771 0.000) 1.352 2.424 ( 2.158 -0.883 -0.000) 2.332 2.494 ( 2.962 0.595 0.000) 3.021 2.556 ( 1.281 -2.560 -0.000) 2.862 2.606 ( 1.404 2.649 0.000) 2.998 2.800 ( -2.848 0.279 0.000) 2.862 3.022 ( 0.556 0.165 0.000) 0.580 3.638 ( 0.544 0.445 0.000) 0.702 3.785 ( -1.523 0.191 0.000) 1.535 3.986 ( 3.257 0.078 0.000) 3.258 4.343 ( -3.046 0.077 0.000) 3.047 4.502 ( -1.705 -1.004 -0.000) 1.978 4.544 ( -0.796 0.561 0.000) 0.974 4.660 ( 1.782 -0.041 -0.000) 1.783 4.766 ( -1.008 -0.005 -0.000) 1.008 4.853 ( -1.229 0.072 0.000) 1.231 4.978 ( -2.617 -0.102 -0.000) 2.618 5.139 ( 1.991 -0.220 -0.000) 2.003 5.275 ( -0.360 0.166 0.000) 0.396 5.486 ( -0.226 0.003 0.000) 0.226 5.489 ( -0.332 -0.060 -0.000) 0.337 5.678 ( 1.001 -0.005 -0.000) 1.001 5.762 ( -0.363 -0.002 -0.000) 0.363 5.858 ( 0.689 0.027 0.000) 0.689 5.979 ( -0.121 0.023 0.000) 0.123 6.002 ( -1.219 -0.015 -0.000) 1.219 6.020 ( -0.260 -0.021 -0.000) 0.261 7.300 ( 0.358 0.087 0.000) 0.369 7.465 ( -1.436 -0.150 -0.000) 1.444 9.344 ( -0.950 0.019 0.000) 0.950 9.392 ( -1.791 -0.198 -0.000) 1.802 9.456 ( 1.124 -1.755 -0.000) 2.084 9.480 ( 1.259 1.903 0.000) 2.282 9.845 ( -0.727 -0.363 -0.000) 0.812 9.968 ( -2.504 0.316 0.000) 2.523 ======================= Grid point 303 (99/100) ======================= q-point: ( 0.29 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 4.135 1.536 0.000) 4.411 0.703 ( -4.351 -4.011 -0.000) 5.918 0.774 ( 6.893 0.201 0.000) 6.895 1.099 ( -2.666 1.549 0.000) 3.083 1.244 ( 18.865 1.068 0.000) 18.896 1.397 ( 8.587 1.304 0.000) 8.685 1.527 ( 4.110 0.446 0.000) 4.134 1.617 ( 8.913 -2.112 -0.000) 9.160 1.846 ( -2.481 -3.459 -0.000) 4.256 1.897 ( -3.345 2.670 0.000) 4.280 2.104 ( -3.610 -1.089 -0.000) 3.770 2.126 ( -3.815 2.193 0.000) 4.400 2.241 ( 2.925 -1.043 -0.000) 3.105 2.282 ( 1.528 -0.855 -0.000) 1.751 2.458 ( 1.536 -0.779 -0.000) 1.722 2.527 ( 0.583 1.451 0.000) 1.564 2.579 ( 0.904 -1.535 -0.000) 1.782 2.613 ( -1.198 -0.225 -0.000) 1.219 2.799 ( 3.667 0.798 0.000) 3.753 3.024 ( -0.704 0.242 0.000) 0.744 3.654 ( 1.092 0.275 0.000) 1.126 3.750 ( -2.041 0.231 0.000) 2.054 4.065 ( 4.718 0.152 0.000) 4.720 4.279 ( -3.489 0.091 0.000) 3.490 4.470 ( -1.426 -0.616 -0.000) 1.553 4.522 ( -1.617 0.301 0.000) 1.645 4.693 ( 1.482 -0.094 -0.000) 1.485 4.744 ( -1.191 0.048 0.000) 1.192 4.830 ( -0.874 -0.010 -0.000) 0.874 4.922 ( -3.071 -0.196 -0.000) 3.077 5.179 ( 2.094 -0.091 -0.000) 2.096 5.264 ( -0.802 0.114 0.000) 0.810 5.480 ( -0.294 -0.012 -0.000) 0.295 5.482 ( -0.383 -0.047 -0.000) 0.386 5.702 ( 1.347 -0.008 -0.000) 1.347 5.754 ( -0.527 0.007 0.000) 0.527 5.877 ( 1.274 -0.002 -0.000) 1.274 5.973 ( -1.706 -0.031 -0.000) 1.706 5.978 ( -0.001 0.041 0.000) 0.041 6.010 ( -0.790 0.005 0.000) 0.790 7.312 ( 1.016 0.059 0.000) 1.018 7.428 ( -2.347 -0.134 -0.000) 2.351 9.323 ( -0.995 0.015 0.000) 0.995 9.355 ( -1.967 -0.190 -0.000) 1.976 9.480 ( 1.267 -1.605 -0.000) 2.045 9.501 ( 0.818 1.787 0.000) 1.965 9.831 ( -0.574 -0.136 -0.000) 0.590 9.911 ( -3.172 0.235 0.000) 3.181 ======================= Grid point 304 (100/100) ======================= q-point: ( 0.43 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 3.262 1.621 0.000) 3.643 0.630 ( -2.873 0.322 0.000) 2.891 0.913 ( 6.892 -0.559 -0.000) 6.915 1.026 ( -4.998 0.559 0.000) 5.029 1.515 ( 4.953 -0.143 -0.000) 4.955 1.536 ( 6.794 0.669 0.000) 6.827 1.585 ( 5.191 1.369 0.000) 5.368 1.706 ( -1.627 -1.035 -0.000) 1.928 1.823 ( 0.881 -3.469 -0.000) 3.579 1.849 ( -1.466 0.970 0.000) 1.758 2.042 ( -2.063 0.264 0.000) 2.079 2.053 ( -3.031 1.757 0.000) 3.503 2.291 ( 1.707 -1.689 -0.000) 2.401 2.302 ( 0.402 -1.454 -0.000) 1.509 2.487 ( 1.598 0.094 0.000) 1.600 2.517 ( -1.394 1.357 0.000) 1.946 2.588 ( 0.348 -1.572 -0.000) 1.610 2.595 ( -0.401 -0.463 -0.000) 0.613 2.897 ( 5.594 0.702 0.000) 5.637 2.986 ( -3.446 0.406 0.000) 3.469 3.679 ( 1.541 0.249 0.000) 1.561 3.712 ( -1.916 0.269 0.000) 1.935 4.150 ( 4.067 0.143 0.000) 4.070 4.217 ( -3.174 0.118 0.000) 3.176 4.459 ( 0.475 -0.250 -0.000) 0.537 4.485 ( -2.006 0.036 0.000) 2.006 4.712 ( 0.644 -0.039 -0.000) 0.645 4.724 ( -0.818 0.045 0.000) 0.819 4.831 ( 1.139 -0.130 -0.000) 1.146 4.868 ( -2.557 -0.205 -0.000) 2.565 5.216 ( 1.754 -0.004 -0.000) 1.754 5.245 ( -1.296 0.060 0.000) 1.298 5.476 ( -0.120 -0.026 -0.000) 0.122 5.477 ( -0.172 -0.035 -0.000) 0.176 5.725 ( 1.104 -0.002 -0.000) 1.104 5.742 ( -0.722 0.006 0.000) 0.722 5.905 ( 1.672 -0.012 -0.000) 1.672 5.939 ( -1.854 -0.012 -0.000) 1.854 5.982 ( 0.422 0.018 0.000) 0.422 5.994 ( -0.814 0.012 0.000) 0.814 7.340 ( 1.874 0.003 0.000) 1.874 7.381 ( -2.470 -0.074 -0.000) 2.471 9.312 ( -0.054 -0.016 -0.000) 0.057 9.323 ( -1.204 -0.092 -0.000) 1.208 9.500 ( 0.812 -0.694 -0.000) 1.068 9.508 ( -0.040 0.678 0.000) 0.679 9.831 ( 0.645 0.131 0.000) 0.658 9.858 ( -2.249 0.257 0.000) 2.264 =================== 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 3/27216 10.0 10.364 26.790 19.292 0.000 -0.000 -0.000 3/27216 20.0 2.942 4.486 9.267 0.000 -0.000 -0.000 3/27216 30.0 1.951 1.989 6.145 0.000 -0.000 0.000 3/27216 40.0 1.512 1.255 4.633 0.000 -0.000 0.000 3/27216 50.0 1.249 0.923 3.739 0.000 -0.000 0.000 3/27216 60.0 1.068 0.734 3.142 0.000 -0.000 0.000 3/27216 70.0 0.935 0.611 2.712 0.000 -0.000 0.000 3/27216 80.0 0.831 0.524 2.387 0.000 -0.000 0.000 3/27216 90.0 0.748 0.460 2.132 0.000 -0.000 0.000 3/27216 100.0 0.681 0.410 1.926 0.000 -0.000 0.000 3/27216 110.0 0.624 0.370 1.757 0.000 -0.000 0.000 3/27216 120.0 0.576 0.338 1.615 0.000 -0.000 0.000 3/27216 130.0 0.535 0.311 1.494 0.000 -0.000 0.000 3/27216 140.0 0.500 0.287 1.390 0.000 -0.000 0.000 3/27216 150.0 0.469 0.268 1.300 0.000 -0.000 0.000 3/27216 160.0 0.441 0.250 1.220 0.000 -0.000 0.000 3/27216 170.0 0.417 0.235 1.150 0.000 -0.000 0.000 3/27216 180.0 0.395 0.222 1.088 0.000 -0.000 0.000 3/27216 190.0 0.375 0.210 1.032 0.000 -0.000 0.000 3/27216 200.0 0.358 0.199 0.981 0.000 -0.000 0.000 3/27216 210.0 0.341 0.190 0.936 0.000 -0.000 0.000 3/27216 220.0 0.327 0.181 0.894 0.000 -0.000 0.000 3/27216 230.0 0.313 0.173 0.856 0.000 -0.000 0.000 3/27216 240.0 0.301 0.166 0.821 0.000 -0.000 0.000 3/27216 250.0 0.289 0.159 0.788 0.000 -0.000 0.000 3/27216 260.0 0.279 0.153 0.759 0.000 -0.000 0.000 3/27216 270.0 0.269 0.147 0.731 0.000 -0.000 0.000 3/27216 280.0 0.259 0.142 0.705 0.000 -0.000 0.000 3/27216 290.0 0.251 0.137 0.681 0.000 -0.000 0.000 3/27216 300.0 0.243 0.132 0.659 0.000 -0.000 0.000 3/27216 310.0 0.235 0.128 0.638 0.000 -0.000 0.000 3/27216 320.0 0.228 0.124 0.618 0.000 -0.000 0.000 3/27216 330.0 0.221 0.120 0.600 0.000 -0.000 0.000 3/27216 340.0 0.215 0.117 0.583 0.000 -0.000 0.000 3/27216 350.0 0.209 0.113 0.566 0.000 -0.000 0.000 3/27216 360.0 0.204 0.110 0.551 0.000 -0.000 0.000 3/27216 370.0 0.198 0.107 0.536 0.000 -0.000 0.000 3/27216 380.0 0.193 0.104 0.522 0.000 -0.000 0.000 3/27216 390.0 0.188 0.102 0.509 0.000 -0.000 0.000 3/27216 400.0 0.184 0.099 0.496 0.000 -0.000 0.000 3/27216 410.0 0.179 0.097 0.484 0.000 -0.000 0.000 3/27216 420.0 0.175 0.095 0.473 0.000 -0.000 0.000 3/27216 430.0 0.171 0.092 0.462 0.000 -0.000 0.000 3/27216 440.0 0.167 0.090 0.452 0.000 -0.000 0.000 3/27216 450.0 0.164 0.088 0.442 0.000 -0.000 0.000 3/27216 460.0 0.160 0.086 0.432 0.000 -0.000 0.000 3/27216 470.0 0.157 0.084 0.423 0.000 -0.000 0.000 3/27216 480.0 0.154 0.083 0.414 0.000 -0.000 0.000 3/27216 490.0 0.151 0.081 0.406 0.000 -0.000 0.000 3/27216 500.0 0.148 0.079 0.398 0.000 -0.000 0.000 3/27216 510.0 0.145 0.078 0.390 0.000 -0.000 0.000 3/27216 520.0 0.142 0.076 0.383 0.000 -0.000 0.000 3/27216 530.0 0.140 0.075 0.376 0.000 -0.000 0.000 3/27216 540.0 0.137 0.074 0.369 0.000 -0.000 0.000 3/27216 550.0 0.135 0.072 0.362 0.000 -0.000 0.000 3/27216 560.0 0.132 0.071 0.356 0.000 -0.000 0.000 3/27216 570.0 0.130 0.070 0.350 0.000 -0.000 0.000 3/27216 580.0 0.128 0.068 0.344 0.000 -0.000 0.000 3/27216 590.0 0.126 0.067 0.338 0.000 -0.000 0.000 3/27216 600.0 0.124 0.066 0.332 0.000 -0.000 0.000 3/27216 610.0 0.122 0.065 0.327 0.000 -0.000 0.000 3/27216 620.0 0.120 0.064 0.322 0.000 -0.000 0.000 3/27216 630.0 0.118 0.063 0.317 0.000 -0.000 0.000 3/27216 640.0 0.116 0.062 0.312 0.000 -0.000 0.000 3/27216 650.0 0.114 0.061 0.307 0.000 -0.000 0.000 3/27216 660.0 0.113 0.060 0.302 0.000 -0.000 0.000 3/27216 670.0 0.111 0.059 0.298 0.000 -0.000 0.000 3/27216 680.0 0.109 0.058 0.293 0.000 -0.000 0.000 3/27216 690.0 0.108 0.058 0.289 0.000 -0.000 0.000 3/27216 700.0 0.106 0.057 0.285 0.000 -0.000 0.000 3/27216 710.0 0.105 0.056 0.281 0.000 -0.000 0.000 3/27216 720.0 0.103 0.055 0.277 0.000 -0.000 0.000 3/27216 730.0 0.102 0.054 0.273 0.000 -0.000 0.000 3/27216 740.0 0.101 0.054 0.270 0.000 -0.000 0.000 3/27216 750.0 0.099 0.053 0.266 0.000 -0.000 0.000 3/27216 760.0 0.098 0.052 0.263 0.000 -0.000 0.000 3/27216 770.0 0.097 0.052 0.259 0.000 -0.000 0.000 3/27216 780.0 0.096 0.051 0.256 0.000 -0.000 0.000 3/27216 790.0 0.094 0.050 0.253 0.000 -0.000 0.000 3/27216 800.0 0.093 0.050 0.250 0.000 -0.000 0.000 3/27216 810.0 0.092 0.049 0.247 0.000 -0.000 0.000 3/27216 820.0 0.091 0.048 0.244 0.000 -0.000 0.000 3/27216 830.0 0.090 0.048 0.241 0.000 -0.000 0.000 3/27216 840.0 0.089 0.047 0.238 0.000 -0.000 0.000 3/27216 850.0 0.088 0.047 0.235 0.000 -0.000 0.000 3/27216 860.0 0.087 0.046 0.232 0.000 -0.000 0.000 3/27216 870.0 0.086 0.046 0.230 0.000 -0.000 0.000 3/27216 880.0 0.085 0.045 0.227 0.000 -0.000 0.000 3/27216 890.0 0.084 0.045 0.225 0.000 -0.000 0.000 3/27216 900.0 0.083 0.044 0.222 0.000 -0.000 0.000 3/27216 910.0 0.082 0.044 0.220 0.000 -0.000 0.000 3/27216 920.0 0.081 0.043 0.217 0.000 -0.000 0.000 3/27216 930.0 0.080 0.043 0.215 0.000 -0.000 0.000 3/27216 940.0 0.080 0.042 0.213 0.000 -0.000 0.000 3/27216 950.0 0.079 0.042 0.210 0.000 -0.000 0.000 3/27216 960.0 0.078 0.041 0.208 0.000 -0.000 0.000 3/27216 970.0 0.077 0.041 0.206 0.000 -0.000 0.000 3/27216 980.0 0.076 0.041 0.204 0.000 -0.000 0.000 3/27216 990.0 0.076 0.040 0.202 0.000 -0.000 0.000 3/27216 1000.0 0.075 0.040 0.200 0.000 -0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m799.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:54:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|