----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:11:49]------------------------- 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. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.762054670240744 0.000000000000000 0.000000000000000 b 0.000000000000000 12.229589230000000 0.000000000000000 c -5.944780745914236 0.000000000000000 8.374436456670985 Atomic positions (fractional): *1 Cs 0.73295475771673 0.83264605417323 0.48759783782775 132.905 2 Cs 0.26704524228327 0.33264605417323 0.01240216217225 132.905 3 Cs 0.26704524228327 0.16735394582677 0.51240216217225 132.905 4 Cs 0.73295475771673 0.66735394582677 0.98759783782775 132.905 *5 Ag 0.31272805158290 0.94093764233474 0.86064605963484 107.868 6 Ag 0.68727194841710 0.44093764233474 0.63935394036516 107.868 7 Ag 0.68727194841710 0.05906235766526 0.13935394036516 107.868 8 Ag 0.31272805158290 0.55906235766526 0.36064605963484 107.868 *9 P 0.15552009821863 0.54174158333843 0.61515300193807 30.974 10 P 0.84447990178137 0.04174158333843 0.88484699806193 30.974 11 P 0.84447990178137 0.45825841666157 0.38484699806193 30.974 12 P 0.15552009821863 0.95825841666157 0.11515300193807 30.974 *13 Se 0.25869240645107 0.68550351712100 0.53825359898249 78.960 14 Se 0.74130759354893 0.18550351712100 0.96174640101751 78.960 15 Se 0.74130759354893 0.31449648287901 0.46174640101751 78.960 16 Se 0.25869240645107 0.81449648287900 0.03825359898249 78.960 *17 Se 0.01311104512179 0.59360868768986 0.75050786667261 78.960 18 Se 0.98688895487821 0.09360868768986 0.74949213332739 78.960 19 Se 0.98688895487821 0.40639131231014 0.24949213332739 78.960 20 Se 0.01311104512179 0.90639131231014 0.25050786667261 78.960 *21 Se 0.43828567120492 0.41485432289853 0.75016862185905 78.960 22 Se 0.56171432879508 0.91485432289853 0.74983137814095 78.960 23 Se 0.56171432879508 0.58514567710147 0.24983137814095 78.960 24 Se 0.43828567120492 0.08514567710147 0.25016862185905 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.762054670240744 0.000000000000000 0.000000000000000 b 0.000000000000000 12.229589230000000 0.000000000000000 c -5.944780745914236 0.000000000000000 8.374436456670985 Atomic positions (fractional): *1 Cs 0.73295475771673 0.83264605417323 0.48759783782775 132.905 > 1 2 Cs 0.26704524228327 0.33264605417323 0.01240216217225 132.905 > 2 3 Cs 0.26704524228327 0.16735394582677 0.51240216217225 132.905 > 3 4 Cs 0.73295475771673 0.66735394582677 0.98759783782775 132.905 > 4 *5 Ag 0.31272805158290 0.94093764233474 0.86064605963484 107.868 > 5 6 Ag 0.68727194841710 0.44093764233474 0.63935394036516 107.868 > 6 7 Ag 0.68727194841710 0.05906235766526 0.13935394036516 107.868 > 7 8 Ag 0.31272805158290 0.55906235766526 0.36064605963484 107.868 > 8 *9 P 0.15552009821863 0.54174158333843 0.61515300193807 30.974 > 9 10 P 0.84447990178137 0.04174158333843 0.88484699806193 30.974 > 10 11 P 0.84447990178137 0.45825841666157 0.38484699806193 30.974 > 11 12 P 0.15552009821863 0.95825841666157 0.11515300193807 30.974 > 12 *13 Se 0.25869240645107 0.68550351712100 0.53825359898249 78.960 > 13 14 Se 0.74130759354893 0.18550351712100 0.96174640101751 78.960 > 14 15 Se 0.74130759354893 0.31449648287901 0.46174640101751 78.960 > 15 16 Se 0.25869240645107 0.81449648287900 0.03825359898249 78.960 > 16 *17 Se 0.01311104512179 0.59360868768986 0.75050786667261 78.960 > 17 18 Se 0.98688895487821 0.09360868768986 0.74949213332739 78.960 > 18 19 Se 0.98688895487821 0.40639131231014 0.24949213332739 78.960 > 19 20 Se 0.01311104512179 0.90639131231014 0.25050786667261 78.960 > 20 *21 Se 0.43828567120492 0.41485432289853 0.75016862185905 78.960 > 21 22 Se 0.56171432879508 0.91485432289853 0.74983137814095 78.960 > 22 23 Se 0.56171432879508 0.58514567710147 0.24983137814095 78.960 > 23 24 Se 0.43828567120492 0.08514567710147 0.25016862185905 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.524109340481488 0.000000000000000 0.000000000000000 b 0.000000000000000 12.229589230000000 0.000000000000000 c -11.889561491828472 0.000000000000000 16.748872913341970 Atomic positions (fractional): *1 Cs 0.36647737885836 0.83264605417323 0.24379891891388 132.905 > 1 2 Cs 0.86647737885836 0.83264605417323 0.24379891891388 132.905 > 1 3 Cs 0.36647737885836 0.83264605417323 0.74379891891387 132.905 > 1 4 Cs 0.86647737885836 0.83264605417323 0.74379891891387 132.905 > 1 5 Cs 0.13352262114164 0.33264605417323 0.00620108108613 132.905 > 2 6 Cs 0.63352262114164 0.33264605417323 0.00620108108613 132.905 > 2 7 Cs 0.13352262114164 0.33264605417323 0.50620108108613 132.905 > 2 8 Cs 0.63352262114164 0.33264605417323 0.50620108108613 132.905 > 2 9 Cs 0.13352262114164 0.16735394582677 0.25620108108612 132.905 > 3 10 Cs 0.63352262114164 0.16735394582677 0.25620108108612 132.905 > 3 11 Cs 0.13352262114164 0.16735394582677 0.75620108108613 132.905 > 3 12 Cs 0.63352262114164 0.16735394582677 0.75620108108613 132.905 > 3 13 Cs 0.36647737885836 0.66735394582677 0.49379891891388 132.905 > 4 14 Cs 0.86647737885836 0.66735394582677 0.49379891891388 132.905 > 4 15 Cs 0.36647737885836 0.66735394582677 0.99379891891387 132.905 > 4 16 Cs 0.86647737885836 0.66735394582677 0.99379891891387 132.905 > 4 *17 Ag 0.15636402579145 0.94093764233474 0.43032302981742 107.868 > 5 18 Ag 0.65636402579145 0.94093764233474 0.43032302981742 107.868 > 5 19 Ag 0.15636402579145 0.94093764233474 0.93032302981742 107.868 > 5 20 Ag 0.65636402579145 0.94093764233474 0.93032302981742 107.868 > 5 21 Ag 0.34363597420855 0.44093764233474 0.31967697018258 107.868 > 6 22 Ag 0.84363597420855 0.44093764233474 0.31967697018258 107.868 > 6 23 Ag 0.34363597420855 0.44093764233474 0.81967697018258 107.868 > 6 24 Ag 0.84363597420855 0.44093764233474 0.81967697018258 107.868 > 6 25 Ag 0.34363597420855 0.05906235766526 0.06967697018258 107.868 > 7 26 Ag 0.84363597420855 0.05906235766526 0.06967697018258 107.868 > 7 27 Ag 0.34363597420855 0.05906235766526 0.56967697018258 107.868 > 7 28 Ag 0.84363597420855 0.05906235766526 0.56967697018258 107.868 > 7 29 Ag 0.15636402579145 0.55906235766526 0.18032302981742 107.868 > 8 30 Ag 0.65636402579145 0.55906235766526 0.18032302981742 107.868 > 8 31 Ag 0.15636402579145 0.55906235766526 0.68032302981742 107.868 > 8 32 Ag 0.65636402579145 0.55906235766526 0.68032302981742 107.868 > 8 *33 P 0.07776004910931 0.54174158333843 0.30757650096903 30.974 > 9 34 P 0.57776004910931 0.54174158333843 0.30757650096903 30.974 > 9 35 P 0.07776004910931 0.54174158333843 0.80757650096903 30.974 > 9 36 P 0.57776004910931 0.54174158333843 0.80757650096903 30.974 > 9 37 P 0.42223995089069 0.04174158333843 0.44242349903097 30.974 > 10 38 P 0.92223995089069 0.04174158333843 0.44242349903097 30.974 > 10 39 P 0.42223995089069 0.04174158333843 0.94242349903097 30.974 > 10 40 P 0.92223995089069 0.04174158333843 0.94242349903097 30.974 > 10 41 P 0.42223995089069 0.45825841666157 0.19242349903097 30.974 > 11 42 P 0.92223995089069 0.45825841666157 0.19242349903097 30.974 > 11 43 P 0.42223995089069 0.45825841666157 0.69242349903097 30.974 > 11 44 P 0.92223995089069 0.45825841666157 0.69242349903097 30.974 > 11 45 P 0.07776004910931 0.95825841666157 0.05757650096903 30.974 > 12 46 P 0.57776004910931 0.95825841666157 0.05757650096903 30.974 > 12 47 P 0.07776004910931 0.95825841666157 0.55757650096903 30.974 > 12 48 P 0.57776004910931 0.95825841666157 0.55757650096903 30.974 > 12 *49 Se 0.12934620322553 0.68550351712100 0.26912679949124 78.960 > 13 50 Se 0.62934620322553 0.68550351712100 0.26912679949124 78.960 > 13 51 Se 0.12934620322553 0.68550351712100 0.76912679949124 78.960 > 13 52 Se 0.62934620322553 0.68550351712100 0.76912679949124 78.960 > 13 53 Se 0.37065379677447 0.18550351712100 0.48087320050876 78.960 > 14 54 Se 0.87065379677447 0.18550351712100 0.48087320050876 78.960 > 14 55 Se 0.37065379677447 0.18550351712100 0.98087320050876 78.960 > 14 56 Se 0.87065379677447 0.18550351712100 0.98087320050876 78.960 > 14 57 Se 0.37065379677447 0.31449648287901 0.23087320050876 78.960 > 15 58 Se 0.87065379677447 0.31449648287901 0.23087320050876 78.960 > 15 59 Se 0.37065379677447 0.31449648287901 0.73087320050876 78.960 > 15 60 Se 0.87065379677447 0.31449648287901 0.73087320050876 78.960 > 15 61 Se 0.12934620322553 0.81449648287900 0.01912679949124 78.960 > 16 62 Se 0.62934620322553 0.81449648287900 0.01912679949124 78.960 > 16 63 Se 0.12934620322553 0.81449648287900 0.51912679949124 78.960 > 16 64 Se 0.62934620322553 0.81449648287900 0.51912679949124 78.960 > 16 *65 Se 0.00655552256090 0.59360868768986 0.37525393333630 78.960 > 17 66 Se 0.50655552256090 0.59360868768986 0.37525393333630 78.960 > 17 67 Se 0.00655552256090 0.59360868768986 0.87525393333630 78.960 > 17 68 Se 0.50655552256090 0.59360868768986 0.87525393333630 78.960 > 17 69 Se 0.49344447743910 0.09360868768986 0.37474606666370 78.960 > 18 70 Se 0.99344447743910 0.09360868768986 0.37474606666370 78.960 > 18 71 Se 0.49344447743910 0.09360868768986 0.87474606666370 78.960 > 18 72 Se 0.99344447743910 0.09360868768986 0.87474606666370 78.960 > 18 73 Se 0.49344447743910 0.40639131231014 0.12474606666370 78.960 > 19 74 Se 0.99344447743910 0.40639131231014 0.12474606666370 78.960 > 19 75 Se 0.49344447743910 0.40639131231014 0.62474606666370 78.960 > 19 76 Se 0.99344447743910 0.40639131231014 0.62474606666370 78.960 > 19 77 Se 0.00655552256090 0.90639131231014 0.12525393333630 78.960 > 20 78 Se 0.50655552256090 0.90639131231014 0.12525393333630 78.960 > 20 79 Se 0.00655552256090 0.90639131231014 0.62525393333630 78.960 > 20 80 Se 0.50655552256090 0.90639131231014 0.62525393333630 78.960 > 20 *81 Se 0.21914283560246 0.41485432289853 0.37508431092953 78.960 > 21 82 Se 0.71914283560246 0.41485432289853 0.37508431092953 78.960 > 21 83 Se 0.21914283560246 0.41485432289853 0.87508431092953 78.960 > 21 84 Se 0.71914283560246 0.41485432289853 0.87508431092953 78.960 > 21 85 Se 0.28085716439754 0.91485432289853 0.37491568907047 78.960 > 22 86 Se 0.78085716439754 0.91485432289853 0.37491568907047 78.960 > 22 87 Se 0.28085716439754 0.91485432289853 0.87491568907047 78.960 > 22 88 Se 0.78085716439754 0.91485432289853 0.87491568907047 78.960 > 22 89 Se 0.28085716439754 0.58514567710147 0.12491568907047 78.960 > 23 90 Se 0.78085716439754 0.58514567710147 0.12491568907047 78.960 > 23 91 Se 0.28085716439754 0.58514567710147 0.62491568907047 78.960 > 23 92 Se 0.78085716439754 0.58514567710147 0.62491568907047 78.960 > 23 93 Se 0.21914283560246 0.08514567710147 0.12508431092953 78.960 > 24 94 Se 0.71914283560246 0.08514567710147 0.12508431092953 78.960 > 24 95 Se 0.21914283560246 0.08514567710147 0.62508431092953 78.960 > 24 96 Se 0.71914283560246 0.08514567710147 0.62508431092953 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7486359 0.0000000 -0.0571461 0.0000000 6.2690383 0.0000000 -0.0571467 0.0000000 5.5222238 -------------------------- Born effective charges -------------------------- 1 Cs 1.3357459 -0.1571691 -0.0387198 -0.1107774 1.5380413 -0.0593166 -0.0474158 -0.0265907 1.5045635 2 Cs 1.3357459 0.1571691 -0.0387198 0.1107774 1.5380413 0.0593166 -0.0474158 0.0265907 1.5045635 3 Cs 1.3357459 -0.1571691 -0.0387198 -0.1107774 1.5380413 -0.0593166 -0.0474158 -0.0265907 1.5045635 4 Cs 1.3357459 0.1571691 -0.0387198 0.1107774 1.5380413 0.0593166 -0.0474158 0.0265907 1.5045635 5 Ag 1.1234345 -0.1353811 0.0076301 -0.0522578 0.4466071 -0.2088485 -0.0574900 -0.2843510 0.3345070 6 Ag 1.1234345 0.1353811 0.0076301 0.0522578 0.4466071 0.2088485 -0.0574900 0.2843510 0.3345070 7 Ag 1.1234345 -0.1353811 0.0076301 -0.0522578 0.4466071 -0.2088485 -0.0574900 -0.2843510 0.3345070 8 Ag 1.1234345 0.1353811 0.0076301 0.0522578 0.4466071 0.2088485 -0.0574900 0.2843510 0.3345070 9 P 2.9723172 -0.3315300 -0.1795004 0.0004323 1.4174051 -0.5131892 -0.3232836 -0.3346784 0.9887121 10 P 2.9723172 0.3315300 -0.1795004 -0.0004323 1.4174051 0.5131892 -0.3232836 0.3346784 0.9887121 11 P 2.9723172 -0.3315300 -0.1795004 0.0004323 1.4174051 -0.5131892 -0.3232836 -0.3346784 0.9887121 12 P 2.9723172 0.3315300 -0.1795004 -0.0004323 1.4174051 0.5131892 -0.3232836 0.3346784 0.9887121 13 Se -1.6003690 -0.5769645 0.2094623 -0.4537596 -1.7470293 0.1463550 0.1471385 -0.1526911 -0.5924414 14 Se -1.6003690 0.5769645 0.2094623 0.4537596 -1.7470293 -0.1463550 0.1471385 0.1526911 -0.5924414 15 Se -1.6003690 -0.5769645 0.2094623 -0.4537596 -1.7470293 0.1463550 0.1471385 -0.1526911 -0.5924414 16 Se -1.6003690 0.5769645 0.2094623 0.4537596 -1.7470293 -0.1463550 0.1471385 0.1526911 -0.5924414 17 Se -2.1560955 0.2369062 0.5300086 0.2314376 -0.8843297 -0.1973771 0.4301720 -0.2860174 -1.1738542 18 Se -2.1560955 -0.2369062 0.5300086 -0.2314376 -0.8843297 0.1973771 0.4301720 0.2860174 -1.1738542 19 Se -2.1560955 0.2369062 0.5300086 0.2314376 -0.8843297 -0.1973771 0.4301720 -0.2860174 -1.1738542 20 Se -2.1560955 -0.2369062 0.5300086 -0.2314376 -0.8843297 0.1973771 0.4301720 0.2860174 -1.1738542 21 Se -1.6750331 0.3823624 -0.5288807 0.1002503 -0.7706945 0.1128340 -0.1491212 0.2059925 -1.0614871 22 Se -1.6750331 -0.3823624 -0.5288807 -0.1002503 -0.7706945 -0.1128340 -0.1491212 -0.2059925 -1.0614871 23 Se -1.6750331 0.3823624 -0.5288807 0.1002503 -0.7706945 0.1128340 -0.1491212 0.2059925 -1.0614871 24 Se -1.6750331 -0.3823624 -0.5288807 -0.1002503 -0.7706945 -0.1128340 -0.1491212 -0.2059925 -1.0614871 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.718 Solver_block: 200 / 720 - Time: 0.649 Solver_block: 300 / 720 - Time: 0.654 Solver_block: 400 / 720 - Time: 0.658 Solver_block: 500 / 720 - Time: 0.664 Solver_block: 600 / 720 - Time: 0.653 Solver_block: 700 / 720 - Time: 0.658 Solver_block: 720 / 720 - Time: 0.220 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.978 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 68), data: True |-- (250, 240), 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 2026-01-09 04:12:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:12:20]------------------------- 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. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.762054670240744 0.000000000000000 0.000000000000000 b 0.000000000000000 12.229589230000000 0.000000000000000 c -5.944780745914236 0.000000000000000 8.374436456670985 Atomic positions (fractional): 1 Cs 0.73295475771673 0.83264605417323 0.48759783782775 132.905 2 Cs 0.26704524228327 0.33264605417323 0.01240216217225 132.905 3 Cs 0.26704524228327 0.16735394582677 0.51240216217225 132.905 4 Cs 0.73295475771673 0.66735394582677 0.98759783782775 132.905 5 Ag 0.31272805158290 0.94093764233474 0.86064605963484 107.868 6 Ag 0.68727194841710 0.44093764233474 0.63935394036516 107.868 7 Ag 0.68727194841710 0.05906235766526 0.13935394036516 107.868 8 Ag 0.31272805158290 0.55906235766526 0.36064605963484 107.868 9 P 0.15552009821863 0.54174158333843 0.61515300193807 30.974 10 P 0.84447990178137 0.04174158333843 0.88484699806193 30.974 11 P 0.84447990178137 0.45825841666157 0.38484699806193 30.974 12 P 0.15552009821863 0.95825841666157 0.11515300193807 30.974 13 Se 0.25869240645107 0.68550351712100 0.53825359898249 78.960 14 Se 0.74130759354893 0.18550351712100 0.96174640101751 78.960 15 Se 0.74130759354893 0.31449648287901 0.46174640101751 78.960 16 Se 0.25869240645107 0.81449648287900 0.03825359898249 78.960 17 Se 0.01311104512179 0.59360868768986 0.75050786667261 78.960 18 Se 0.98688895487821 0.09360868768986 0.74949213332739 78.960 19 Se 0.98688895487821 0.40639131231014 0.24949213332739 78.960 20 Se 0.01311104512179 0.90639131231014 0.25050786667261 78.960 21 Se 0.43828567120492 0.41485432289853 0.75016862185905 78.960 22 Se 0.56171432879508 0.91485432289853 0.74983137814095 78.960 23 Se 0.56171432879508 0.58514567710147 0.24983137814095 78.960 24 Se 0.43828567120492 0.08514567710147 0.25016862185905 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.524109340481488 0.000000000000000 0.000000000000000 b 0.000000000000000 12.229589230000000 0.000000000000000 c -11.889561491828472 0.000000000000000 16.748872913341970 Atomic positions (fractional): 1 Cs 0.36647737885836 0.83264605417323 0.24379891891388 132.905 > 1 2 Cs 0.86647737885836 0.83264605417323 0.24379891891388 132.905 > 1 3 Cs 0.36647737885836 0.83264605417323 0.74379891891387 132.905 > 1 4 Cs 0.86647737885836 0.83264605417323 0.74379891891387 132.905 > 1 5 Cs 0.13352262114164 0.33264605417323 0.00620108108613 132.905 > 5 6 Cs 0.63352262114164 0.33264605417323 0.00620108108613 132.905 > 5 7 Cs 0.13352262114164 0.33264605417323 0.50620108108613 132.905 > 5 8 Cs 0.63352262114164 0.33264605417323 0.50620108108613 132.905 > 5 9 Cs 0.13352262114164 0.16735394582677 0.25620108108612 132.905 > 9 10 Cs 0.63352262114164 0.16735394582677 0.25620108108612 132.905 > 9 11 Cs 0.13352262114164 0.16735394582677 0.75620108108613 132.905 > 9 12 Cs 0.63352262114164 0.16735394582677 0.75620108108613 132.905 > 9 13 Cs 0.36647737885836 0.66735394582677 0.49379891891388 132.905 > 13 14 Cs 0.86647737885836 0.66735394582677 0.49379891891388 132.905 > 13 15 Cs 0.36647737885836 0.66735394582677 0.99379891891387 132.905 > 13 16 Cs 0.86647737885836 0.66735394582677 0.99379891891387 132.905 > 13 17 Ag 0.15636402579145 0.94093764233474 0.43032302981742 107.868 > 17 18 Ag 0.65636402579145 0.94093764233474 0.43032302981742 107.868 > 17 19 Ag 0.15636402579145 0.94093764233474 0.93032302981742 107.868 > 17 20 Ag 0.65636402579145 0.94093764233474 0.93032302981742 107.868 > 17 21 Ag 0.34363597420855 0.44093764233474 0.31967697018258 107.868 > 21 22 Ag 0.84363597420855 0.44093764233474 0.31967697018258 107.868 > 21 23 Ag 0.34363597420855 0.44093764233474 0.81967697018258 107.868 > 21 24 Ag 0.84363597420855 0.44093764233474 0.81967697018258 107.868 > 21 25 Ag 0.34363597420855 0.05906235766526 0.06967697018258 107.868 > 25 26 Ag 0.84363597420855 0.05906235766526 0.06967697018258 107.868 > 25 27 Ag 0.34363597420855 0.05906235766526 0.56967697018258 107.868 > 25 28 Ag 0.84363597420855 0.05906235766526 0.56967697018258 107.868 > 25 29 Ag 0.15636402579145 0.55906235766526 0.18032302981742 107.868 > 29 30 Ag 0.65636402579145 0.55906235766526 0.18032302981742 107.868 > 29 31 Ag 0.15636402579145 0.55906235766526 0.68032302981742 107.868 > 29 32 Ag 0.65636402579145 0.55906235766526 0.68032302981742 107.868 > 29 33 P 0.07776004910931 0.54174158333843 0.30757650096903 30.974 > 33 34 P 0.57776004910931 0.54174158333843 0.30757650096903 30.974 > 33 35 P 0.07776004910931 0.54174158333843 0.80757650096903 30.974 > 33 36 P 0.57776004910931 0.54174158333843 0.80757650096903 30.974 > 33 37 P 0.42223995089069 0.04174158333843 0.44242349903097 30.974 > 37 38 P 0.92223995089069 0.04174158333843 0.44242349903097 30.974 > 37 39 P 0.42223995089069 0.04174158333843 0.94242349903097 30.974 > 37 40 P 0.92223995089069 0.04174158333843 0.94242349903097 30.974 > 37 41 P 0.42223995089069 0.45825841666157 0.19242349903097 30.974 > 41 42 P 0.92223995089069 0.45825841666157 0.19242349903097 30.974 > 41 43 P 0.42223995089069 0.45825841666157 0.69242349903097 30.974 > 41 44 P 0.92223995089069 0.45825841666157 0.69242349903097 30.974 > 41 45 P 0.07776004910931 0.95825841666157 0.05757650096903 30.974 > 45 46 P 0.57776004910931 0.95825841666157 0.05757650096903 30.974 > 45 47 P 0.07776004910931 0.95825841666157 0.55757650096903 30.974 > 45 48 P 0.57776004910931 0.95825841666157 0.55757650096903 30.974 > 45 49 Se 0.12934620322553 0.68550351712100 0.26912679949124 78.960 > 49 50 Se 0.62934620322553 0.68550351712100 0.26912679949124 78.960 > 49 51 Se 0.12934620322553 0.68550351712100 0.76912679949124 78.960 > 49 52 Se 0.62934620322553 0.68550351712100 0.76912679949124 78.960 > 49 53 Se 0.37065379677447 0.18550351712100 0.48087320050876 78.960 > 53 54 Se 0.87065379677447 0.18550351712100 0.48087320050876 78.960 > 53 55 Se 0.37065379677447 0.18550351712100 0.98087320050876 78.960 > 53 56 Se 0.87065379677447 0.18550351712100 0.98087320050876 78.960 > 53 57 Se 0.37065379677447 0.31449648287901 0.23087320050876 78.960 > 57 58 Se 0.87065379677447 0.31449648287901 0.23087320050876 78.960 > 57 59 Se 0.37065379677447 0.31449648287901 0.73087320050876 78.960 > 57 60 Se 0.87065379677447 0.31449648287901 0.73087320050876 78.960 > 57 61 Se 0.12934620322553 0.81449648287900 0.01912679949124 78.960 > 61 62 Se 0.62934620322553 0.81449648287900 0.01912679949124 78.960 > 61 63 Se 0.12934620322553 0.81449648287900 0.51912679949124 78.960 > 61 64 Se 0.62934620322553 0.81449648287900 0.51912679949124 78.960 > 61 65 Se 0.00655552256090 0.59360868768986 0.37525393333630 78.960 > 65 66 Se 0.50655552256090 0.59360868768986 0.37525393333630 78.960 > 65 67 Se 0.00655552256090 0.59360868768986 0.87525393333630 78.960 > 65 68 Se 0.50655552256090 0.59360868768986 0.87525393333630 78.960 > 65 69 Se 0.49344447743910 0.09360868768986 0.37474606666370 78.960 > 69 70 Se 0.99344447743910 0.09360868768986 0.37474606666370 78.960 > 69 71 Se 0.49344447743910 0.09360868768986 0.87474606666370 78.960 > 69 72 Se 0.99344447743910 0.09360868768986 0.87474606666370 78.960 > 69 73 Se 0.49344447743910 0.40639131231014 0.12474606666370 78.960 > 73 74 Se 0.99344447743910 0.40639131231014 0.12474606666370 78.960 > 73 75 Se 0.49344447743910 0.40639131231014 0.62474606666370 78.960 > 73 76 Se 0.99344447743910 0.40639131231014 0.62474606666370 78.960 > 73 77 Se 0.00655552256090 0.90639131231014 0.12525393333630 78.960 > 77 78 Se 0.50655552256090 0.90639131231014 0.12525393333630 78.960 > 77 79 Se 0.00655552256090 0.90639131231014 0.62525393333630 78.960 > 77 80 Se 0.50655552256090 0.90639131231014 0.62525393333630 78.960 > 77 81 Se 0.21914283560246 0.41485432289853 0.37508431092953 78.960 > 81 82 Se 0.71914283560246 0.41485432289853 0.37508431092953 78.960 > 81 83 Se 0.21914283560246 0.41485432289853 0.87508431092953 78.960 > 81 84 Se 0.71914283560246 0.41485432289853 0.87508431092953 78.960 > 81 85 Se 0.28085716439754 0.91485432289853 0.37491568907047 78.960 > 85 86 Se 0.78085716439754 0.91485432289853 0.37491568907047 78.960 > 85 87 Se 0.28085716439754 0.91485432289853 0.87491568907047 78.960 > 85 88 Se 0.78085716439754 0.91485432289853 0.87491568907047 78.960 > 85 89 Se 0.28085716439754 0.58514567710147 0.12491568907047 78.960 > 89 90 Se 0.78085716439754 0.58514567710147 0.12491568907047 78.960 > 89 91 Se 0.28085716439754 0.58514567710147 0.62491568907047 78.960 > 89 92 Se 0.78085716439754 0.58514567710147 0.62491568907047 78.960 > 89 93 Se 0.21914283560246 0.08514567710147 0.12508431092953 78.960 > 93 94 Se 0.71914283560246 0.08514567710147 0.12508431092953 78.960 > 93 95 Se 0.21914283560246 0.08514567710147 0.62508431092953 78.960 > 93 96 Se 0.71914283560246 0.08514567710147 0.62508431092953 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7486359 0.0000000 -0.0571461 0.0000000 6.2690383 0.0000000 -0.0571467 0.0000000 5.5222238 -------------------------- Born effective charges -------------------------- 1 Cs 1.3357459 -0.1571691 -0.0387198 -0.1107774 1.5380413 -0.0593166 -0.0474158 -0.0265907 1.5045635 2 Cs 1.3357459 0.1571691 -0.0387198 0.1107774 1.5380413 0.0593166 -0.0474158 0.0265907 1.5045635 3 Cs 1.3357459 -0.1571691 -0.0387198 -0.1107774 1.5380413 -0.0593166 -0.0474158 -0.0265907 1.5045635 4 Cs 1.3357459 0.1571691 -0.0387198 0.1107774 1.5380413 0.0593166 -0.0474158 0.0265907 1.5045635 5 Ag 1.1234345 -0.1353811 0.0076301 -0.0522578 0.4466071 -0.2088485 -0.0574900 -0.2843510 0.3345070 6 Ag 1.1234345 0.1353811 0.0076301 0.0522578 0.4466071 0.2088485 -0.0574900 0.2843510 0.3345070 7 Ag 1.1234345 -0.1353811 0.0076301 -0.0522578 0.4466071 -0.2088485 -0.0574900 -0.2843510 0.3345070 8 Ag 1.1234345 0.1353811 0.0076301 0.0522578 0.4466071 0.2088485 -0.0574900 0.2843510 0.3345070 9 P 2.9723172 -0.3315300 -0.1795004 0.0004323 1.4174051 -0.5131892 -0.3232836 -0.3346784 0.9887121 10 P 2.9723172 0.3315300 -0.1795004 -0.0004323 1.4174051 0.5131892 -0.3232836 0.3346784 0.9887121 11 P 2.9723172 -0.3315300 -0.1795004 0.0004323 1.4174051 -0.5131892 -0.3232836 -0.3346784 0.9887121 12 P 2.9723172 0.3315300 -0.1795004 -0.0004323 1.4174051 0.5131892 -0.3232836 0.3346784 0.9887121 13 Se -1.6003690 -0.5769645 0.2094623 -0.4537596 -1.7470293 0.1463550 0.1471385 -0.1526911 -0.5924414 14 Se -1.6003690 0.5769645 0.2094623 0.4537596 -1.7470293 -0.1463550 0.1471385 0.1526911 -0.5924414 15 Se -1.6003690 -0.5769645 0.2094623 -0.4537596 -1.7470293 0.1463550 0.1471385 -0.1526911 -0.5924414 16 Se -1.6003690 0.5769645 0.2094623 0.4537596 -1.7470293 -0.1463550 0.1471385 0.1526911 -0.5924414 17 Se -2.1560955 0.2369062 0.5300086 0.2314376 -0.8843297 -0.1973771 0.4301720 -0.2860174 -1.1738542 18 Se -2.1560955 -0.2369062 0.5300086 -0.2314376 -0.8843297 0.1973771 0.4301720 0.2860174 -1.1738542 19 Se -2.1560955 0.2369062 0.5300086 0.2314376 -0.8843297 -0.1973771 0.4301720 -0.2860174 -1.1738542 20 Se -2.1560955 -0.2369062 0.5300086 -0.2314376 -0.8843297 0.1973771 0.4301720 0.2860174 -1.1738542 21 Se -1.6750331 0.3823624 -0.5288807 0.1002503 -0.7706945 0.1128340 -0.1491212 0.2059925 -1.0614871 22 Se -1.6750331 -0.3823624 -0.5288807 -0.1002503 -0.7706945 -0.1128340 -0.1491212 -0.2059925 -1.0614871 23 Se -1.6750331 0.3823624 -0.5288807 0.1002503 -0.7706945 0.1128340 -0.1491212 0.2059925 -1.0614871 24 Se -1.6750331 -0.3823624 -0.5288807 -0.1002503 -0.7706945 -0.1128340 -0.1491212 -0.2059925 -1.0614871 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:12:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:12:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.762054670240744 0.000000000000000 0.000000000000000 b 0.000000000000000 12.229589230000000 0.000000000000000 c -5.944780745914236 0.000000000000000 8.374436456670985 Atomic positions (fractional): 1 Cs 0.73295475771673 0.83264605417323 0.48759783782775 132.905 2 Cs 0.26704524228327 0.33264605417323 0.01240216217225 132.905 3 Cs 0.26704524228327 0.16735394582677 0.51240216217225 132.905 4 Cs 0.73295475771673 0.66735394582677 0.98759783782775 132.905 5 Ag 0.31272805158290 0.94093764233474 0.86064605963484 107.868 6 Ag 0.68727194841710 0.44093764233474 0.63935394036516 107.868 7 Ag 0.68727194841710 0.05906235766526 0.13935394036516 107.868 8 Ag 0.31272805158290 0.55906235766526 0.36064605963484 107.868 9 P 0.15552009821863 0.54174158333843 0.61515300193807 30.974 10 P 0.84447990178137 0.04174158333843 0.88484699806193 30.974 11 P 0.84447990178137 0.45825841666157 0.38484699806193 30.974 12 P 0.15552009821863 0.95825841666157 0.11515300193807 30.974 13 Se 0.25869240645107 0.68550351712100 0.53825359898249 78.960 14 Se 0.74130759354893 0.18550351712100 0.96174640101751 78.960 15 Se 0.74130759354893 0.31449648287901 0.46174640101751 78.960 16 Se 0.25869240645107 0.81449648287900 0.03825359898249 78.960 17 Se 0.01311104512179 0.59360868768986 0.75050786667261 78.960 18 Se 0.98688895487821 0.09360868768986 0.74949213332739 78.960 19 Se 0.98688895487821 0.40639131231014 0.24949213332739 78.960 20 Se 0.01311104512179 0.90639131231014 0.25050786667261 78.960 21 Se 0.43828567120492 0.41485432289853 0.75016862185905 78.960 22 Se 0.56171432879508 0.91485432289853 0.74983137814095 78.960 23 Se 0.56171432879508 0.58514567710147 0.24983137814095 78.960 24 Se 0.43828567120492 0.08514567710147 0.25016862185905 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.524109340481488 0.000000000000000 0.000000000000000 b 0.000000000000000 12.229589230000000 0.000000000000000 c -11.889561491828472 0.000000000000000 16.748872913341970 Atomic positions (fractional): 1 Cs 0.36647737885836 0.83264605417323 0.24379891891388 132.905 > 1 2 Cs 0.86647737885836 0.83264605417323 0.24379891891388 132.905 > 1 3 Cs 0.36647737885836 0.83264605417323 0.74379891891387 132.905 > 1 4 Cs 0.86647737885836 0.83264605417323 0.74379891891387 132.905 > 1 5 Cs 0.13352262114164 0.33264605417323 0.00620108108613 132.905 > 5 6 Cs 0.63352262114164 0.33264605417323 0.00620108108613 132.905 > 5 7 Cs 0.13352262114164 0.33264605417323 0.50620108108613 132.905 > 5 8 Cs 0.63352262114164 0.33264605417323 0.50620108108613 132.905 > 5 9 Cs 0.13352262114164 0.16735394582677 0.25620108108612 132.905 > 9 10 Cs 0.63352262114164 0.16735394582677 0.25620108108612 132.905 > 9 11 Cs 0.13352262114164 0.16735394582677 0.75620108108613 132.905 > 9 12 Cs 0.63352262114164 0.16735394582677 0.75620108108613 132.905 > 9 13 Cs 0.36647737885836 0.66735394582677 0.49379891891388 132.905 > 13 14 Cs 0.86647737885836 0.66735394582677 0.49379891891388 132.905 > 13 15 Cs 0.36647737885836 0.66735394582677 0.99379891891387 132.905 > 13 16 Cs 0.86647737885836 0.66735394582677 0.99379891891387 132.905 > 13 17 Ag 0.15636402579145 0.94093764233474 0.43032302981742 107.868 > 17 18 Ag 0.65636402579145 0.94093764233474 0.43032302981742 107.868 > 17 19 Ag 0.15636402579145 0.94093764233474 0.93032302981742 107.868 > 17 20 Ag 0.65636402579145 0.94093764233474 0.93032302981742 107.868 > 17 21 Ag 0.34363597420855 0.44093764233474 0.31967697018258 107.868 > 21 22 Ag 0.84363597420855 0.44093764233474 0.31967697018258 107.868 > 21 23 Ag 0.34363597420855 0.44093764233474 0.81967697018258 107.868 > 21 24 Ag 0.84363597420855 0.44093764233474 0.81967697018258 107.868 > 21 25 Ag 0.34363597420855 0.05906235766526 0.06967697018258 107.868 > 25 26 Ag 0.84363597420855 0.05906235766526 0.06967697018258 107.868 > 25 27 Ag 0.34363597420855 0.05906235766526 0.56967697018258 107.868 > 25 28 Ag 0.84363597420855 0.05906235766526 0.56967697018258 107.868 > 25 29 Ag 0.15636402579145 0.55906235766526 0.18032302981742 107.868 > 29 30 Ag 0.65636402579145 0.55906235766526 0.18032302981742 107.868 > 29 31 Ag 0.15636402579145 0.55906235766526 0.68032302981742 107.868 > 29 32 Ag 0.65636402579145 0.55906235766526 0.68032302981742 107.868 > 29 33 P 0.07776004910931 0.54174158333843 0.30757650096903 30.974 > 33 34 P 0.57776004910931 0.54174158333843 0.30757650096903 30.974 > 33 35 P 0.07776004910931 0.54174158333843 0.80757650096903 30.974 > 33 36 P 0.57776004910931 0.54174158333843 0.80757650096903 30.974 > 33 37 P 0.42223995089069 0.04174158333843 0.44242349903097 30.974 > 37 38 P 0.92223995089069 0.04174158333843 0.44242349903097 30.974 > 37 39 P 0.42223995089069 0.04174158333843 0.94242349903097 30.974 > 37 40 P 0.92223995089069 0.04174158333843 0.94242349903097 30.974 > 37 41 P 0.42223995089069 0.45825841666157 0.19242349903097 30.974 > 41 42 P 0.92223995089069 0.45825841666157 0.19242349903097 30.974 > 41 43 P 0.42223995089069 0.45825841666157 0.69242349903097 30.974 > 41 44 P 0.92223995089069 0.45825841666157 0.69242349903097 30.974 > 41 45 P 0.07776004910931 0.95825841666157 0.05757650096903 30.974 > 45 46 P 0.57776004910931 0.95825841666157 0.05757650096903 30.974 > 45 47 P 0.07776004910931 0.95825841666157 0.55757650096903 30.974 > 45 48 P 0.57776004910931 0.95825841666157 0.55757650096903 30.974 > 45 49 Se 0.12934620322553 0.68550351712100 0.26912679949124 78.960 > 49 50 Se 0.62934620322553 0.68550351712100 0.26912679949124 78.960 > 49 51 Se 0.12934620322553 0.68550351712100 0.76912679949124 78.960 > 49 52 Se 0.62934620322553 0.68550351712100 0.76912679949124 78.960 > 49 53 Se 0.37065379677447 0.18550351712100 0.48087320050876 78.960 > 53 54 Se 0.87065379677447 0.18550351712100 0.48087320050876 78.960 > 53 55 Se 0.37065379677447 0.18550351712100 0.98087320050876 78.960 > 53 56 Se 0.87065379677447 0.18550351712100 0.98087320050876 78.960 > 53 57 Se 0.37065379677447 0.31449648287901 0.23087320050876 78.960 > 57 58 Se 0.87065379677447 0.31449648287901 0.23087320050876 78.960 > 57 59 Se 0.37065379677447 0.31449648287901 0.73087320050876 78.960 > 57 60 Se 0.87065379677447 0.31449648287901 0.73087320050876 78.960 > 57 61 Se 0.12934620322553 0.81449648287900 0.01912679949124 78.960 > 61 62 Se 0.62934620322553 0.81449648287900 0.01912679949124 78.960 > 61 63 Se 0.12934620322553 0.81449648287900 0.51912679949124 78.960 > 61 64 Se 0.62934620322553 0.81449648287900 0.51912679949124 78.960 > 61 65 Se 0.00655552256090 0.59360868768986 0.37525393333630 78.960 > 65 66 Se 0.50655552256090 0.59360868768986 0.37525393333630 78.960 > 65 67 Se 0.00655552256090 0.59360868768986 0.87525393333630 78.960 > 65 68 Se 0.50655552256090 0.59360868768986 0.87525393333630 78.960 > 65 69 Se 0.49344447743910 0.09360868768986 0.37474606666370 78.960 > 69 70 Se 0.99344447743910 0.09360868768986 0.37474606666370 78.960 > 69 71 Se 0.49344447743910 0.09360868768986 0.87474606666370 78.960 > 69 72 Se 0.99344447743910 0.09360868768986 0.87474606666370 78.960 > 69 73 Se 0.49344447743910 0.40639131231014 0.12474606666370 78.960 > 73 74 Se 0.99344447743910 0.40639131231014 0.12474606666370 78.960 > 73 75 Se 0.49344447743910 0.40639131231014 0.62474606666370 78.960 > 73 76 Se 0.99344447743910 0.40639131231014 0.62474606666370 78.960 > 73 77 Se 0.00655552256090 0.90639131231014 0.12525393333630 78.960 > 77 78 Se 0.50655552256090 0.90639131231014 0.12525393333630 78.960 > 77 79 Se 0.00655552256090 0.90639131231014 0.62525393333630 78.960 > 77 80 Se 0.50655552256090 0.90639131231014 0.62525393333630 78.960 > 77 81 Se 0.21914283560246 0.41485432289853 0.37508431092953 78.960 > 81 82 Se 0.71914283560246 0.41485432289853 0.37508431092953 78.960 > 81 83 Se 0.21914283560246 0.41485432289853 0.87508431092953 78.960 > 81 84 Se 0.71914283560246 0.41485432289853 0.87508431092953 78.960 > 81 85 Se 0.28085716439754 0.91485432289853 0.37491568907047 78.960 > 85 86 Se 0.78085716439754 0.91485432289853 0.37491568907047 78.960 > 85 87 Se 0.28085716439754 0.91485432289853 0.87491568907047 78.960 > 85 88 Se 0.78085716439754 0.91485432289853 0.87491568907047 78.960 > 85 89 Se 0.28085716439754 0.58514567710147 0.12491568907047 78.960 > 89 90 Se 0.78085716439754 0.58514567710147 0.12491568907047 78.960 > 89 91 Se 0.28085716439754 0.58514567710147 0.62491568907047 78.960 > 89 92 Se 0.78085716439754 0.58514567710147 0.62491568907047 78.960 > 89 93 Se 0.21914283560246 0.08514567710147 0.12508431092953 78.960 > 93 94 Se 0.71914283560246 0.08514567710147 0.12508431092953 78.960 > 93 95 Se 0.21914283560246 0.08514567710147 0.62508431092953 78.960 > 93 96 Se 0.71914283560246 0.08514567710147 0.62508431092953 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7486359 0.0000000 -0.0571461 0.0000000 6.2690383 0.0000000 -0.0571467 0.0000000 5.5222238 -------------------------- Born effective charges -------------------------- 1 Cs 1.3357459 -0.1571691 -0.0387198 -0.1107774 1.5380413 -0.0593166 -0.0474158 -0.0265907 1.5045635 2 Cs 1.3357459 0.1571691 -0.0387198 0.1107774 1.5380413 0.0593166 -0.0474158 0.0265907 1.5045635 3 Cs 1.3357459 -0.1571691 -0.0387198 -0.1107774 1.5380413 -0.0593166 -0.0474158 -0.0265907 1.5045635 4 Cs 1.3357459 0.1571691 -0.0387198 0.1107774 1.5380413 0.0593166 -0.0474158 0.0265907 1.5045635 5 Ag 1.1234345 -0.1353811 0.0076301 -0.0522578 0.4466071 -0.2088485 -0.0574900 -0.2843510 0.3345070 6 Ag 1.1234345 0.1353811 0.0076301 0.0522578 0.4466071 0.2088485 -0.0574900 0.2843510 0.3345070 7 Ag 1.1234345 -0.1353811 0.0076301 -0.0522578 0.4466071 -0.2088485 -0.0574900 -0.2843510 0.3345070 8 Ag 1.1234345 0.1353811 0.0076301 0.0522578 0.4466071 0.2088485 -0.0574900 0.2843510 0.3345070 9 P 2.9723172 -0.3315300 -0.1795004 0.0004323 1.4174051 -0.5131892 -0.3232836 -0.3346784 0.9887121 10 P 2.9723172 0.3315300 -0.1795004 -0.0004323 1.4174051 0.5131892 -0.3232836 0.3346784 0.9887121 11 P 2.9723172 -0.3315300 -0.1795004 0.0004323 1.4174051 -0.5131892 -0.3232836 -0.3346784 0.9887121 12 P 2.9723172 0.3315300 -0.1795004 -0.0004323 1.4174051 0.5131892 -0.3232836 0.3346784 0.9887121 13 Se -1.6003690 -0.5769645 0.2094623 -0.4537596 -1.7470293 0.1463550 0.1471385 -0.1526911 -0.5924414 14 Se -1.6003690 0.5769645 0.2094623 0.4537596 -1.7470293 -0.1463550 0.1471385 0.1526911 -0.5924414 15 Se -1.6003690 -0.5769645 0.2094623 -0.4537596 -1.7470293 0.1463550 0.1471385 -0.1526911 -0.5924414 16 Se -1.6003690 0.5769645 0.2094623 0.4537596 -1.7470293 -0.1463550 0.1471385 0.1526911 -0.5924414 17 Se -2.1560955 0.2369062 0.5300086 0.2314376 -0.8843297 -0.1973771 0.4301720 -0.2860174 -1.1738542 18 Se -2.1560955 -0.2369062 0.5300086 -0.2314376 -0.8843297 0.1973771 0.4301720 0.2860174 -1.1738542 19 Se -2.1560955 0.2369062 0.5300086 0.2314376 -0.8843297 -0.1973771 0.4301720 -0.2860174 -1.1738542 20 Se -2.1560955 -0.2369062 0.5300086 -0.2314376 -0.8843297 0.1973771 0.4301720 0.2860174 -1.1738542 21 Se -1.6750331 0.3823624 -0.5288807 0.1002503 -0.7706945 0.1128340 -0.1491212 0.2059925 -1.0614871 22 Se -1.6750331 -0.3823624 -0.5288807 -0.1002503 -0.7706945 -0.1128340 -0.1491212 -0.2059925 -1.0614871 23 Se -1.6750331 0.3823624 -0.5288807 0.1002503 -0.7706945 0.1128340 -0.1491212 0.2059925 -1.0614871 24 Se -1.6750331 -0.3823624 -0.5288807 -0.1002503 -0.7706945 -0.1128340 -0.1491212 -0.2059925 -1.0614871 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 6 ] 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: 0.47, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 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 0.759 ( 0.000 0.000 0.000) 0.000 0.767 ( 0.000 0.000 0.000) 0.000 0.794 ( 0.000 0.000 0.000) 0.000 0.828 ( 0.000 0.000 0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 1.053 ( 0.000 0.000 0.000) 0.000 1.053 ( 0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.243 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 12.590 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.066 ( 0.000 0.000 0.000) 0.000 13.225 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.347 ( 0.000 0.000 0.000) 0.000 13.383 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 8.033 0.000 10.786) 13.449 0.318 ( 15.465 0.000 3.958) 15.964 0.426 ( 17.323 0.000 9.445) 19.731 0.663 ( -0.640 0.000 -0.026) 0.641 0.809 ( 1.104 0.000 -0.437) 1.188 0.823 ( 2.945 0.000 0.242) 2.955 0.925 ( -0.489 0.000 0.435) 0.654 1.005 ( 6.869 0.000 0.338) 6.877 1.047 ( 0.347 0.000 1.871) 1.903 1.082 ( 8.235 0.000 -1.675) 8.404 1.103 ( -0.813 0.000 -2.993) 3.101 1.236 ( 0.585 0.000 -4.526) 4.564 1.250 ( 0.941 0.000 1.110) 1.455 1.355 ( 5.338 0.000 -1.001) 5.431 1.474 ( -3.226 0.000 -0.430) 3.255 1.480 ( -1.361 0.000 -0.604) 1.489 1.550 ( -2.245 0.000 1.180) 2.536 1.572 ( 0.626 0.000 -0.210) 0.660 1.606 ( 0.081 0.000 -1.142) 1.145 1.679 ( 0.029 0.000 2.221) 2.222 1.740 ( 0.115 0.000 -1.785) 1.789 1.760 ( 4.661 0.000 -1.254) 4.826 1.796 ( -2.963 0.000 1.384) 3.270 1.861 ( 1.232 0.000 0.382) 1.290 2.039 ( -0.279 0.000 -0.608) 0.669 2.044 ( -0.318 0.000 -0.986) 1.036 2.144 ( -0.153 0.000 2.010) 2.016 2.174 ( 0.272 0.000 0.406) 0.489 2.325 ( -4.453 0.000 4.690) 6.467 2.355 ( 0.190 0.000 -0.435) 0.475 2.539 ( -1.879 0.000 0.977) 2.117 2.648 ( -3.502 0.000 0.124) 3.505 2.772 ( -2.614 0.000 -0.492) 2.660 2.848 ( -1.245 0.000 -0.039) 1.246 2.858 ( -0.847 0.000 0.389) 0.932 2.892 ( -2.495 0.000 -0.057) 2.495 2.925 ( 3.582 0.000 0.911) 3.696 3.072 ( 0.573 0.000 -0.460) 0.735 3.281 ( -4.414 0.000 -0.839) 4.493 3.326 ( -5.664 0.000 -0.325) 5.673 3.775 ( 0.013 0.000 0.241) 0.241 3.806 ( -1.397 0.000 -0.662) 1.546 3.992 ( 1.825 0.000 1.035) 2.098 4.020 ( 0.284 0.000 -0.163) 0.327 4.126 ( 1.863 0.000 1.726) 2.540 4.143 ( -1.771 0.000 -0.684) 1.899 4.265 ( 2.029 0.000 0.144) 2.035 4.283 ( 2.155 0.000 -0.150) 2.161 4.508 ( 2.655 0.000 0.206) 2.663 4.530 ( 2.876 0.000 -0.925) 3.021 4.993 ( -2.041 0.000 0.658) 2.144 5.067 ( 1.135 0.000 0.170) 1.148 5.071 ( -2.740 0.000 -1.032) 2.928 5.190 ( 1.024 0.000 0.168) 1.038 5.593 ( -0.140 0.000 0.413) 0.436 5.647 ( -0.654 0.000 -0.280) 0.711 5.866 ( 2.058 0.000 -2.968) 3.612 5.873 ( 0.226 0.000 0.073) 0.237 6.134 ( -0.976 0.000 0.349) 1.037 6.170 ( -1.652 0.000 -0.740) 1.810 8.608 ( -1.224 0.000 0.729) 1.425 8.713 ( -4.001 0.000 1.929) 4.442 12.610 ( 1.902 0.000 0.577) 1.988 12.764 ( 1.373 0.000 -0.269) 1.399 12.904 ( 0.191 0.000 -2.410) 2.418 13.041 ( -1.297 0.000 -1.828) 2.241 13.105 ( 5.939 0.000 3.986) 7.153 13.221 ( 0.882 0.000 -0.539) 1.033 13.237 ( 11.387 0.000 -12.979) 17.266 13.320 ( -2.059 0.000 0.176) 2.066 13.333 ( 5.004 0.000 -5.110) 7.152 13.421 ( 3.541 0.000 -0.501) 3.577 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 2.944 0.000 5.129) 5.914 0.589 ( 13.729 0.000 1.117) 13.775 0.737 ( 4.181 0.000 6.390) 7.636 0.753 ( 7.444 0.000 3.158) 8.086 0.787 ( 0.312 0.000 1.935) 1.960 0.925 ( -0.008 0.000 0.609) 0.609 0.937 ( 10.004 0.000 -0.436) 10.013 0.984 ( -4.088 0.000 1.433) 4.332 1.051 ( -0.638 0.000 -2.861) 2.932 1.071 ( 1.438 0.000 -1.616) 2.163 1.206 ( 1.033 0.000 -2.884) 3.063 1.269 ( 4.762 0.000 -3.153) 5.712 1.292 ( 3.973 0.000 2.151) 4.518 1.424 ( 2.120 0.000 0.471) 2.172 1.443 ( -0.449 0.000 -2.113) 2.160 1.455 ( 4.824 0.000 -0.553) 4.856 1.522 ( -2.710 0.000 2.039) 3.391 1.563 ( 1.825 0.000 -1.749) 2.528 1.638 ( 2.456 0.000 0.405) 2.489 1.681 ( -3.115 0.000 -0.630) 3.178 1.733 ( 0.623 0.000 2.178) 2.266 1.787 ( 1.116 0.000 1.032) 1.520 1.826 ( 2.289 0.000 -1.921) 2.988 1.864 ( 5.060 0.000 -2.662) 5.718 1.983 ( -5.192 0.000 -1.800) 5.495 2.055 ( 0.575 0.000 2.185) 2.259 2.165 ( 0.111 0.000 1.866) 1.869 2.202 ( 2.294 0.000 0.720) 2.405 2.328 ( 0.058 0.000 2.581) 2.581 2.344 ( -0.440 0.000 -1.039) 1.128 2.510 ( -2.831 0.000 1.059) 3.023 2.577 ( -4.960 0.000 0.057) 4.960 2.747 ( -0.247 0.000 0.477) 0.537 2.815 ( -2.705 0.000 -0.207) 2.713 2.829 ( -2.925 0.000 -0.301) 2.941 2.858 ( -1.576 0.000 0.167) 1.585 2.982 ( 1.922 0.000 0.831) 2.094 3.058 ( -1.117 0.000 -1.510) 1.879 3.177 ( -6.796 0.000 -0.254) 6.801 3.209 ( -7.427 0.000 -0.150) 7.428 3.761 ( -2.055 0.000 -1.311) 2.438 3.790 ( 1.199 0.000 0.529) 1.311 4.029 ( 0.861 0.000 0.511) 1.001 4.051 ( 2.142 0.000 0.955) 2.345 4.109 ( -0.896 0.000 -0.307) 0.947 4.168 ( 1.198 0.000 1.511) 1.928 4.306 ( 2.077 0.000 0.327) 2.103 4.312 ( 1.359 0.000 -0.317) 1.396 4.570 ( 4.385 0.000 0.209) 4.390 4.579 ( 3.982 0.000 -0.584) 4.024 4.953 ( -3.943 0.000 1.069) 4.085 4.997 ( -4.465 0.000 -1.329) 4.658 5.097 ( 2.087 0.000 0.324) 2.112 5.208 ( 0.845 0.000 0.023) 0.845 5.598 ( 0.101 0.000 0.569) 0.578 5.631 ( -0.691 0.000 -0.370) 0.784 5.864 ( 0.621 0.000 -1.134) 1.293 5.877 ( 0.073 0.000 0.040) 0.083 6.116 ( -1.828 0.000 0.473) 1.888 6.120 ( -2.825 0.000 -1.248) 3.089 8.593 ( -1.777 0.000 1.143) 2.112 8.658 ( -4.088 0.000 0.490) 4.118 12.657 ( 2.330 0.000 1.121) 2.586 12.792 ( 1.898 0.000 -0.023) 1.898 12.894 ( 1.619 0.000 -1.680) 2.333 12.994 ( -1.169 0.000 -2.478) 2.740 13.225 ( 0.405 0.000 -0.198) 0.451 13.263 ( 6.686 0.000 3.931) 7.756 13.268 ( 6.793 0.000 -8.323) 10.744 13.296 ( -0.363 0.000 -0.371) 0.519 13.383 ( 4.332 0.000 0.710) 4.390 13.476 ( 3.567 0.000 -0.179) 3.571 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 2.170 0.000 2.555) 3.352 0.729 ( -0.729 0.000 -0.868) 1.134 0.790 ( 8.538 0.000 0.004) 8.538 0.853 ( 1.778 0.000 0.598) 1.876 0.859 ( -0.177 0.000 0.043) 0.182 0.934 ( -3.485 0.000 1.335) 3.731 0.971 ( 3.184 0.000 3.066) 4.420 1.025 ( 1.666 0.000 -0.606) 1.772 1.058 ( 2.664 0.000 -4.205) 4.978 1.151 ( 8.850 0.000 5.055) 10.192 1.193 ( 0.336 0.000 -1.409) 1.449 1.255 ( -1.219 0.000 0.860) 1.492 1.339 ( 1.197 0.000 1.456) 1.885 1.398 ( -1.963 0.000 -1.165) 2.283 1.457 ( 1.495 0.000 -4.745) 4.975 1.499 ( -2.859 0.000 1.780) 3.368 1.522 ( 4.273 0.000 -1.531) 4.540 1.556 ( -3.577 0.000 -1.613) 3.923 1.651 ( -1.843 0.000 2.221) 2.886 1.686 ( 4.578 0.000 -1.404) 4.789 1.754 ( -1.575 0.000 1.141) 1.944 1.809 ( -0.008 0.000 0.429) 0.430 1.855 ( -4.331 0.000 -1.883) 4.723 1.907 ( 10.623 0.000 0.655) 10.643 1.964 ( 5.939 0.000 -2.235) 6.345 2.089 ( 0.211 0.000 2.315) 2.325 2.210 ( 4.666 0.000 0.961) 4.764 2.254 ( 3.016 0.000 -0.065) 3.016 2.321 ( -0.971 0.000 -0.888) 1.316 2.383 ( 2.337 0.000 2.874) 3.704 2.480 ( -1.901 0.000 1.013) 2.154 2.496 ( -4.415 0.000 -0.092) 4.416 2.749 ( -4.722 0.000 -0.267) 4.729 2.759 ( -5.260 0.000 -0.388) 5.274 2.776 ( 2.221 0.000 0.742) 2.342 2.835 ( -0.696 0.000 -0.644) 0.948 2.990 ( -4.991 0.000 -1.551) 5.226 2.997 ( -1.648 0.000 0.574) 1.745 3.082 ( -3.918 0.000 0.008) 3.918 3.102 ( -4.886 0.000 0.251) 4.893 3.724 ( -0.566 0.000 -1.079) 1.218 3.819 ( 1.329 0.000 0.449) 1.402 4.022 ( -0.918 0.000 -0.589) 1.091 4.099 ( 2.047 0.000 1.179) 2.362 4.118 ( 1.174 0.000 0.561) 1.301 4.197 ( 0.135 0.000 0.962) 0.971 4.322 ( 0.616 0.000 -0.389) 0.729 4.336 ( 1.452 0.000 0.088) 1.454 4.638 ( 3.535 0.000 -0.338) 3.551 4.651 ( 4.999 0.000 0.174) 5.002 4.891 ( -5.010 0.000 1.038) 5.116 4.902 ( -4.812 0.000 -1.234) 4.968 5.136 ( 1.890 0.000 0.403) 1.933 5.216 ( 0.255 0.000 -0.059) 0.261 5.609 ( 0.499 0.000 0.403) 0.642 5.621 ( -0.008 0.000 -0.222) 0.222 5.860 ( 0.048 0.000 -0.485) 0.487 5.873 ( -0.514 0.000 -0.167) 0.541 6.058 ( -2.667 0.000 -1.124) 2.894 6.088 ( -1.952 0.000 0.364) 1.985 8.579 ( -1.435 0.000 1.044) 1.775 8.600 ( -3.107 0.000 0.177) 3.112 12.705 ( 1.428 0.000 1.425) 2.017 12.816 ( 0.985 0.000 -0.042) 0.985 12.913 ( 2.004 0.000 -0.787) 2.153 12.951 ( -0.406 0.000 -2.379) 2.414 13.231 ( 0.958 0.000 -0.810) 1.254 13.270 ( 2.412 0.000 -3.881) 4.569 13.290 ( -0.147 0.000 0.723) 0.737 13.404 ( 5.745 0.000 1.207) 5.871 13.473 ( 4.642 0.000 1.069) 4.764 13.532 ( 2.904 0.000 0.600) 2.966 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 2.126 0.000 2.425) 3.225 0.733 ( 1.793 0.000 -0.074) 1.795 0.792 ( -2.666 0.000 -0.789) 2.781 0.797 ( -3.168 0.000 -2.321) 3.927 0.902 ( -1.576 0.000 0.698) 1.724 0.952 ( 5.194 0.000 0.017) 5.195 1.000 ( 0.983 0.000 -1.505) 1.798 1.068 ( 2.313 0.000 0.593) 2.387 1.120 ( 3.149 0.000 1.368) 3.433 1.162 ( -0.933 0.000 -1.354) 1.644 1.257 ( -0.495 0.000 0.946) 1.067 1.306 ( 1.589 0.000 2.821) 3.238 1.376 ( 0.517 0.000 0.751) 0.911 1.384 ( 2.837 0.000 0.945) 2.990 1.437 ( 1.014 0.000 -2.508) 2.705 1.453 ( -3.874 0.000 -0.220) 3.880 1.491 ( 0.109 0.000 -0.991) 0.997 1.528 ( -0.081 0.000 -0.661) 0.666 1.602 ( -5.247 0.000 -0.042) 5.247 1.702 ( -2.655 0.000 -0.039) 2.655 1.735 ( 3.075 0.000 -2.256) 3.814 1.812 ( -0.038 0.000 -0.333) 0.335 1.858 ( 2.529 0.000 3.577) 4.381 1.956 ( -2.063 0.000 -2.699) 3.398 2.094 ( 7.075 0.000 0.901) 7.132 2.117 ( 0.543 0.000 1.094) 1.222 2.287 ( -0.948 0.000 -0.585) 1.114 2.288 ( 1.274 0.000 -0.301) 1.310 2.337 ( 5.752 0.000 0.882) 5.819 2.451 ( -0.285 0.000 -0.484) 0.561 2.461 ( 4.207 0.000 0.659) 4.258 2.479 ( -0.273 0.000 1.465) 1.490 2.647 ( -6.749 0.000 -0.457) 6.765 2.655 ( -5.201 0.000 -0.128) 5.202 2.831 ( 1.531 0.000 -0.776) 1.716 2.833 ( 3.234 0.000 0.315) 3.250 2.890 ( -4.558 0.000 -0.504) 4.586 2.943 ( -4.053 0.000 0.233) 4.060 3.043 ( -1.073 0.000 -0.026) 1.073 3.065 ( -0.742 0.000 0.170) 0.761 3.714 ( 0.208 0.000 -0.382) 0.435 3.838 ( 0.540 0.000 0.150) 0.560 4.004 ( -0.507 0.000 -0.283) 0.580 4.141 ( 0.671 0.000 0.250) 0.716 4.146 ( 2.286 0.000 0.752) 2.406 4.187 ( -1.940 0.000 0.078) 1.941 4.328 ( 0.409 0.000 -0.185) 0.449 4.357 ( 0.900 0.000 -0.036) 0.901 4.680 ( 1.507 0.000 -0.015) 1.507 4.732 ( 4.580 0.000 -0.051) 4.581 4.819 ( -4.713 0.000 0.583) 4.749 4.827 ( -2.385 0.000 -0.613) 2.462 5.162 ( 0.673 0.000 0.192) 0.700 5.217 ( -0.051 0.000 -0.023) 0.056 5.620 ( 0.328 0.000 0.125) 0.351 5.623 ( 0.305 0.000 -0.030) 0.307 5.856 ( -0.063 0.000 -0.136) 0.150 5.859 ( -0.566 0.000 -0.208) 0.603 6.017 ( -0.999 0.000 -0.389) 1.072 6.067 ( -0.862 0.000 0.136) 0.873 8.566 ( -1.142 0.000 0.067) 1.144 8.572 ( -0.530 0.000 0.424) 0.679 12.733 ( 0.350 0.000 0.735) 0.814 12.826 ( 0.358 0.000 -0.022) 0.359 12.928 ( 0.044 0.000 -1.065) 1.066 12.930 ( 0.650 0.000 -0.252) 0.697 13.237 ( 0.644 0.000 -0.487) 0.807 13.263 ( 0.389 0.000 -1.054) 1.123 13.300 ( 0.253 0.000 0.388) 0.463 13.473 ( 1.866 0.000 0.072) 1.867 13.540 ( 1.929 0.000 0.469) 1.985 13.577 ( 1.342 0.000 0.554) 1.452 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.197 ( 0.000 11.231 0.000) 11.231 0.286 ( 0.000 13.615 0.000) 13.615 0.476 ( 0.000 21.424 0.000) 21.424 0.670 ( 0.000 -8.456 0.000) 8.456 0.734 ( 0.000 -6.049 0.000) 6.049 0.777 ( 0.000 1.328 0.000) 1.328 0.863 ( 0.000 0.448 0.000) 0.448 0.914 ( 0.000 0.687 0.000) 0.687 1.052 ( 0.000 -2.688 0.000) 2.688 1.081 ( 0.000 1.495 0.000) 1.495 1.096 ( 0.000 -2.935 0.000) 2.935 1.190 ( 0.000 -3.616 0.000) 3.616 1.247 ( 0.000 1.893 0.000) 1.893 1.294 ( 0.000 1.428 0.000) 1.428 1.462 ( 0.000 -5.200 0.000) 5.200 1.506 ( 0.000 -3.386 0.000) 3.386 1.537 ( 0.000 2.835 0.000) 2.835 1.598 ( 0.000 3.152 0.000) 3.152 1.616 ( 0.000 -0.578 0.000) 0.578 1.618 ( 0.000 -1.218 0.000) 1.218 1.742 ( 0.000 -2.652 0.000) 2.652 1.785 ( 0.000 3.775 0.000) 3.775 1.838 ( 0.000 1.953 0.000) 1.953 1.870 ( 0.000 -8.503 0.000) 8.503 1.875 ( 0.000 2.742 0.000) 2.742 2.008 ( 0.000 -2.139 0.000) 2.139 2.160 ( 0.000 1.029 0.000) 1.029 2.190 ( 0.000 -0.440 0.000) 0.440 2.340 ( 0.000 6.275 0.000) 6.275 2.513 ( 0.000 -1.724 0.000) 1.724 2.573 ( 0.000 1.893 0.000) 1.893 2.662 ( 0.000 -1.521 0.000) 1.521 2.833 ( 0.000 0.772 0.000) 0.772 2.857 ( 0.000 -0.223 0.000) 0.223 2.867 ( 0.000 0.389 0.000) 0.389 2.879 ( 0.000 1.747 0.000) 1.747 2.907 ( 0.000 -0.920 0.000) 0.920 2.994 ( 0.000 -2.368 0.000) 2.368 3.325 ( 0.000 0.961 0.000) 0.961 3.372 ( 0.000 -0.871 0.000) 0.871 3.779 ( 0.000 0.326 0.000) 0.326 3.809 ( 0.000 -0.786 0.000) 0.786 3.980 ( 0.000 1.160 0.000) 1.160 4.034 ( 0.000 -0.935 0.000) 0.935 4.098 ( 0.000 1.095 0.000) 1.095 4.150 ( 0.000 -0.942 0.000) 0.942 4.251 ( 0.000 0.252 0.000) 0.252 4.260 ( 0.000 -0.157 0.000) 0.157 4.488 ( 0.000 0.157 0.000) 0.157 4.497 ( 0.000 -0.174 0.000) 0.174 5.021 ( 0.000 1.417 0.000) 1.417 5.072 ( 0.000 0.634 0.000) 0.634 5.094 ( 0.000 -0.568 0.000) 0.568 5.138 ( 0.000 -1.100 0.000) 1.100 5.600 ( 0.000 0.778 0.000) 0.778 5.644 ( 0.000 -0.927 0.000) 0.927 5.843 ( 0.000 0.564 0.000) 0.564 5.867 ( 0.000 -0.388 0.000) 0.388 6.147 ( 0.000 0.598 0.000) 0.598 6.180 ( 0.000 -0.703 0.000) 0.703 8.611 ( 0.000 0.257 0.000) 0.257 8.626 ( 0.000 -0.357 0.000) 0.357 12.612 ( 0.000 2.017 0.000) 2.017 12.726 ( 0.000 -2.552 0.000) 2.552 12.943 ( 0.000 0.679 0.000) 0.679 12.974 ( 0.000 -0.530 0.000) 0.530 13.035 ( 0.000 1.783 0.000) 1.783 13.073 ( 0.000 0.443 0.000) 0.443 13.219 ( 0.000 -0.371 0.000) 0.371 13.267 ( 0.000 -2.462 0.000) 2.462 13.388 ( 0.000 2.719 0.000) 2.719 13.488 ( 0.000 -1.614 0.000) 1.614 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 5.008 5.713 4.462) 8.811 0.392 ( 11.966 6.919 4.866) 14.654 0.586 ( 1.069 0.527 -0.547) 1.311 0.689 ( 5.155 4.918 3.700) 8.029 0.786 ( 5.195 -3.095 1.630) 6.263 0.827 ( 1.277 3.294 1.177) 3.724 0.886 ( 3.446 -3.760 1.433) 5.298 1.009 ( 6.542 -1.421 -1.328) 6.824 1.037 ( -1.648 0.918 -0.640) 1.993 1.075 ( 0.604 1.304 -2.406) 2.802 1.092 ( 5.504 -1.671 -0.465) 5.771 1.207 ( 1.387 -2.758 -1.165) 3.300 1.285 ( 3.608 3.033 -2.170) 5.189 1.300 ( 3.210 -2.725 1.265) 4.397 1.442 ( -3.811 -5.633 0.341) 6.810 1.489 ( -0.087 -2.029 -0.731) 2.158 1.524 ( -0.550 3.292 -0.441) 3.367 1.579 ( -2.126 1.108 0.845) 2.542 1.624 ( 3.154 -0.254 -3.131) 4.451 1.657 ( 1.957 0.236 1.951) 2.773 1.744 ( -0.781 -1.754 1.658) 2.537 1.776 ( -1.738 2.759 0.842) 3.368 1.829 ( 0.216 2.086 -0.664) 2.200 1.858 ( 0.373 -4.396 -1.636) 4.705 1.930 ( 2.337 -0.422 3.002) 3.828 2.048 ( 0.888 -2.654 1.599) 3.223 2.155 ( -0.912 0.031 0.874) 1.263 2.181 ( -2.095 -0.443 0.823) 2.294 2.332 ( -0.104 4.350 -0.287) 4.360 2.434 ( -4.216 1.697 -1.337) 4.737 2.558 ( -2.021 1.837 0.617) 2.800 2.635 ( -3.281 -1.253 0.100) 3.514 2.786 ( -2.724 1.246 -0.454) 3.029 2.849 ( -1.310 -0.101 0.005) 1.313 2.855 ( -0.804 -0.408 0.452) 1.009 2.866 ( -2.327 -1.563 -0.560) 2.859 2.941 ( 3.395 1.455 0.717) 3.762 3.036 ( 2.036 -2.549 -0.035) 3.263 3.286 ( -4.455 0.640 -0.410) 4.519 3.321 ( -5.364 -0.548 -0.458) 5.411 3.778 ( 0.012 0.368 0.229) 0.433 3.803 ( -0.762 -0.402 -0.525) 1.009 3.999 ( 1.587 0.686 0.751) 1.884 4.020 ( 0.275 -0.117 -0.167) 0.342 4.136 ( 1.242 0.324 1.194) 1.753 4.142 ( -0.948 -0.105 -0.174) 0.970 4.268 ( 2.138 0.288 0.057) 2.158 4.281 ( 2.200 -0.216 -0.114) 2.213 4.510 ( 2.588 0.148 0.147) 2.596 4.521 ( 2.717 -0.516 -0.215) 2.774 5.006 ( -2.248 1.153 0.488) 2.573 5.057 ( -2.386 -0.892 -0.634) 2.625 5.088 ( 0.910 1.469 -0.072) 1.730 5.165 ( 1.650 -1.840 0.410) 2.506 5.600 ( -0.177 0.653 0.211) 0.709 5.639 ( -0.447 -0.801 -0.325) 0.973 5.856 ( 1.371 -0.221 -0.826) 1.615 5.870 ( 0.281 -0.363 0.022) 0.460 6.139 ( -1.072 0.454 0.232) 1.187 6.164 ( -1.534 -0.511 -0.561) 1.711 8.609 ( -1.099 0.214 0.790) 1.371 8.657 ( -0.687 -2.795 2.121) 3.575 12.632 ( 2.004 2.040 0.444) 2.894 12.746 ( 1.838 -2.118 -0.268) 2.817 12.919 ( 0.548 1.521 -2.340) 2.844 13.011 ( 2.089 -2.704 -3.251) 4.716 13.108 ( 5.439 0.448 2.400) 5.962 13.141 ( 7.835 -1.975 -0.596) 8.102 13.219 ( 0.258 -0.289 -0.044) 0.390 13.271 ( 0.220 -2.477 0.721) 2.589 13.392 ( 1.583 2.581 -1.877) 3.563 13.460 ( 0.749 0.459 -2.812) 2.947 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 6.568 -1.796 4.486) 8.154 0.626 ( 5.609 -6.836 0.441) 8.853 0.641 ( 11.009 4.224 2.927) 12.149 0.741 ( -0.270 -0.838 0.543) 1.034 0.812 ( 0.144 -0.200 2.609) 2.620 0.938 ( 0.476 -0.655 1.520) 1.722 0.981 ( 0.513 -0.572 -2.298) 2.423 0.993 ( 5.919 0.303 1.432) 6.097 1.025 ( -0.003 0.869 -2.467) 2.616 1.073 ( 2.378 2.716 2.087) 4.170 1.195 ( 1.897 0.156 -2.528) 3.165 1.258 ( 3.984 -2.137 1.295) 4.702 1.323 ( 1.990 2.976 -2.280) 4.245 1.392 ( 4.904 -3.386 -2.710) 6.547 1.397 ( 2.291 -2.629 1.782) 3.916 1.492 ( -1.101 1.879 0.561) 2.249 1.508 ( 2.927 -1.085 -2.338) 3.900 1.582 ( 1.063 2.760 2.649) 3.971 1.631 ( 0.642 -1.366 -1.672) 2.252 1.711 ( 0.901 -0.489 0.969) 1.410 1.734 ( -2.344 4.500 0.328) 5.085 1.767 ( 1.918 -1.583 1.661) 2.991 1.834 ( 0.160 -0.955 -2.158) 2.366 1.864 ( 4.294 -1.345 -0.407) 4.519 1.968 ( -2.122 0.578 0.876) 2.367 2.049 ( -0.951 -1.090 1.132) 1.837 2.161 ( 0.183 -0.436 1.382) 1.461 2.184 ( 2.295 -1.477 0.692) 2.816 2.331 ( -0.155 1.962 -0.176) 1.975 2.386 ( -0.948 1.379 -0.051) 1.675 2.523 ( -3.150 1.178 0.859) 3.471 2.568 ( -4.638 -0.792 0.173) 4.708 2.754 ( -0.811 0.733 0.148) 1.103 2.813 ( -2.803 -0.722 -0.292) 2.909 2.825 ( -2.254 -0.177 -0.412) 2.298 2.842 ( -1.400 -1.013 0.381) 1.769 2.991 ( 1.533 0.892 0.621) 1.879 3.043 ( -0.577 -1.240 -0.843) 1.606 3.184 ( -6.712 0.624 -0.369) 6.751 3.208 ( -7.070 -0.221 -0.435) 7.086 3.771 ( -1.544 0.810 -1.000) 2.010 3.790 ( 0.861 -0.037 0.442) 0.968 4.030 ( 0.926 0.142 0.384) 1.012 4.048 ( 2.060 -0.337 0.729) 2.211 4.121 ( -0.515 1.115 0.088) 1.231 4.165 ( 0.647 -0.427 1.269) 1.487 4.308 ( 1.984 0.178 0.179) 2.000 4.312 ( 1.524 0.013 -0.269) 1.547 4.570 ( 4.354 0.028 0.099) 4.355 4.576 ( 4.185 -0.278 -0.405) 4.214 4.960 ( -4.112 0.577 0.710) 4.212 4.989 ( -4.442 -0.617 -0.927) 4.579 5.115 ( 2.005 1.588 0.188) 2.565 5.192 ( 1.215 -1.455 0.074) 1.897 5.601 ( 0.021 0.333 0.375) 0.501 5.625 ( -0.537 -0.503 -0.327) 0.805 5.862 ( 0.526 -0.039 -0.592) 0.793 5.874 ( 0.125 -0.313 -0.000) 0.337 6.117 ( -1.998 0.064 0.198) 2.009 6.120 ( -2.637 -0.038 -0.931) 2.797 8.596 ( -1.816 0.287 1.114) 2.149 8.637 ( -3.068 -1.582 0.840) 3.552 12.678 ( 2.352 1.933 0.895) 3.173 12.777 ( 1.909 -1.625 -0.023) 2.507 12.912 ( 1.599 1.605 -1.983) 3.011 12.985 ( -0.201 -1.046 -2.866) 3.057 13.209 ( 4.398 -2.080 -2.255) 5.362 13.217 ( 0.983 -0.895 -0.195) 1.344 13.272 ( 6.687 0.215 1.990) 6.980 13.306 ( 2.913 -0.671 0.706) 3.071 13.404 ( 2.675 1.957 -0.865) 3.426 13.471 ( 2.558 -0.698 -0.837) 2.780 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 3.701 -0.550 1.838) 4.169 0.677 ( 0.727 -4.909 -1.315) 5.134 0.781 ( 2.454 -1.061 0.446) 2.711 0.806 ( 3.303 -3.429 2.575) 5.412 0.873 ( 5.673 2.632 1.102) 6.350 0.954 ( 0.754 0.127 0.628) 0.989 0.960 ( -0.212 0.696 0.569) 0.924 1.009 ( 2.118 -1.578 -2.198) 3.436 1.051 ( 1.081 0.486 -0.881) 1.476 1.142 ( 2.121 -2.773 -0.061) 3.492 1.221 ( 1.270 2.567 2.987) 4.138 1.266 ( -1.247 0.420 -0.339) 1.359 1.310 ( -0.185 -1.386 0.424) 1.461 1.372 ( -0.086 -4.374 -3.814) 5.804 1.445 ( -2.283 3.058 -0.064) 3.816 1.509 ( 2.723 -0.514 -0.445) 2.806 1.548 ( 2.245 0.922 -0.380) 2.456 1.597 ( -2.151 3.576 -0.039) 4.173 1.645 ( 0.207 0.431 1.555) 1.627 1.694 ( 2.095 -0.754 -1.406) 2.634 1.757 ( 1.336 2.037 0.962) 2.619 1.786 ( -1.547 -3.215 -1.510) 3.874 1.872 ( -0.281 1.395 0.290) 1.453 1.925 ( 7.456 2.564 0.326) 7.891 1.968 ( 4.353 -0.777 -0.005) 4.422 2.063 ( 0.136 -2.361 1.590) 2.849 2.212 ( 4.688 0.225 0.911) 4.781 2.244 ( 3.876 -0.923 0.330) 3.998 2.321 ( -0.204 0.991 -0.545) 1.149 2.394 ( 0.913 -0.221 1.263) 1.573 2.477 ( -3.140 0.522 0.555) 3.231 2.504 ( -3.068 0.268 0.502) 3.121 2.743 ( -3.304 -0.717 0.172) 3.385 2.748 ( -4.945 -0.269 -0.226) 4.957 2.788 ( 0.253 0.709 -0.147) 0.767 2.824 ( -0.343 -0.982 -0.572) 1.187 2.990 ( -4.291 0.061 -0.779) 4.361 2.996 ( -2.584 -0.103 0.270) 2.600 3.087 ( -3.893 0.452 -0.175) 3.923 3.102 ( -4.549 -0.060 -0.225) 4.555 3.744 ( -0.345 1.752 -0.807) 1.959 3.811 ( 1.005 -0.823 0.338) 1.343 4.034 ( -0.261 1.093 -0.201) 1.142 4.089 ( 1.536 -0.914 0.933) 2.016 4.133 ( 1.048 1.245 0.648) 1.752 4.188 ( 0.231 -0.890 0.840) 1.245 4.324 ( 0.683 0.211 -0.398) 0.818 4.334 ( 1.307 -0.148 -0.082) 1.318 4.640 ( 3.832 0.140 -0.270) 3.844 4.649 ( 4.865 -0.192 0.080) 4.870 4.891 ( -4.975 0.037 0.521) 5.002 4.899 ( -4.946 -0.247 -0.747) 5.008 5.150 ( 1.677 1.221 0.267) 2.092 5.206 ( 0.527 -0.964 -0.028) 1.099 5.609 ( 0.435 0.040 0.308) 0.534 5.618 ( 0.073 -0.233 -0.166) 0.295 5.861 ( 0.001 0.121 -0.296) 0.319 5.871 ( -0.384 -0.193 -0.118) 0.446 6.062 ( -2.589 0.424 -0.927) 2.783 6.084 ( -2.068 -0.397 0.127) 2.109 8.579 ( -1.559 0.041 0.954) 1.828 8.594 ( -2.702 -0.539 0.395) 2.783 12.722 ( 1.377 1.603 1.148) 2.405 12.802 ( 1.029 -1.368 0.074) 1.714 12.921 ( 1.602 0.726 -1.230) 2.146 12.950 ( -0.084 -0.272 -2.432) 2.449 13.226 ( 1.199 -0.433 -0.885) 1.552 13.232 ( 1.581 -1.549 -1.188) 2.512 13.342 ( 1.738 3.027 -0.415) 3.515 13.407 ( 5.505 0.193 1.744) 5.778 13.468 ( 4.262 -0.408 0.675) 4.334 13.509 ( 2.355 -2.045 0.080) 3.121 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 2.327 -0.122 1.879) 2.994 0.672 ( 0.439 -3.114 -0.705) 3.223 0.784 ( -0.556 -0.089 0.515) 0.763 0.838 ( -1.614 1.072 -0.034) 1.937 0.911 ( -0.368 0.112 -0.479) 0.614 0.958 ( 1.024 -2.480 -2.250) 3.502 0.993 ( 3.627 2.870 -0.602) 4.664 1.073 ( 2.337 -0.538 0.484) 2.447 1.092 ( 4.083 -0.603 2.592) 4.874 1.151 ( -0.011 -1.764 -0.368) 1.802 1.219 ( -2.245 -2.562 -0.625) 3.463 1.278 ( -1.452 -2.873 3.484) 4.744 1.296 ( -0.380 -3.716 -1.472) 4.015 1.331 ( -0.155 -3.342 -2.181) 3.993 1.412 ( -1.119 2.301 -0.126) 2.562 1.521 ( 0.122 -0.133 -0.141) 0.229 1.541 ( -0.987 3.002 -0.027) 3.161 1.604 ( 1.531 4.810 1.110) 5.169 1.646 ( -0.799 2.793 -0.092) 2.907 1.718 ( 0.929 0.315 0.119) 0.988 1.749 ( -0.424 -1.300 -1.695) 2.178 1.763 ( -0.966 2.274 -1.103) 2.705 1.869 ( 2.055 0.442 2.122) 2.987 1.966 ( -2.640 -0.801 -1.335) 3.065 2.081 ( 5.159 -1.002 1.010) 5.352 2.093 ( 1.240 -1.813 0.550) 2.265 2.294 ( 2.163 0.657 0.117) 2.263 2.311 ( 1.073 1.756 -0.439) 2.104 2.335 ( 4.381 0.203 0.556) 4.421 2.435 ( 1.374 -1.578 0.813) 2.245 2.467 ( 2.800 0.524 0.283) 2.863 2.480 ( -0.455 0.013 0.270) 0.529 2.643 ( -6.717 -0.185 -0.201) 6.723 2.652 ( -5.466 -0.252 -0.127) 5.474 2.825 ( 2.621 -0.433 -0.031) 2.656 2.827 ( 1.866 -0.399 -0.652) 2.016 2.900 ( -4.176 0.797 -0.299) 4.262 2.934 ( -4.123 -0.706 0.200) 4.188 3.048 ( -1.011 0.389 -0.143) 1.093 3.063 ( -0.780 -0.205 0.026) 0.807 3.739 ( 0.247 2.153 -0.279) 2.185 3.827 ( 0.486 -1.185 0.108) 1.286 4.026 ( -0.278 2.037 -0.091) 2.058 4.118 ( 0.923 -1.632 0.424) 1.922 4.159 ( 1.115 0.683 0.539) 1.414 4.183 ( -1.261 -0.363 0.019) 1.313 4.331 ( 0.465 0.310 -0.211) 0.597 4.352 ( 0.820 -0.477 -0.116) 0.956 4.688 ( 1.885 0.751 0.017) 2.029 4.725 ( 4.135 -0.640 0.008) 4.184 4.818 ( -4.268 -0.051 0.328) 4.281 4.823 ( -2.719 -0.290 -0.470) 2.775 5.171 ( 0.563 0.845 0.128) 1.024 5.210 ( 0.051 -0.646 -0.011) 0.648 5.619 ( 0.324 -0.074 0.119) 0.353 5.622 ( 0.291 -0.144 -0.035) 0.326 5.858 ( -0.078 0.154 -0.072) 0.187 5.861 ( -0.436 0.096 -0.145) 0.470 6.023 ( -1.020 0.599 -0.347) 1.233 6.059 ( -0.907 -0.714 0.034) 1.155 8.565 ( -0.991 -0.053 0.139) 1.002 8.569 ( -0.622 -0.193 0.384) 0.756 12.746 ( 0.326 1.282 0.579) 1.444 12.813 ( 0.309 -1.251 0.024) 1.289 12.929 ( 0.212 0.059 -0.901) 0.928 12.930 ( 0.431 0.012 -0.535) 0.687 13.234 ( 0.635 -0.218 -0.443) 0.804 13.240 ( 0.519 -0.953 -0.353) 1.141 13.358 ( 0.510 4.256 0.038) 4.286 13.481 ( 1.908 0.679 0.230) 2.038 13.529 ( 1.824 -0.998 0.430) 2.123 13.543 ( 1.170 -3.167 0.345) 3.393 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 -12.423 0.000) 12.423 0.447 ( 0.000 12.423 0.000) 12.423 0.546 ( 0.000 -11.426 0.000) 11.426 0.546 ( 0.000 11.426 0.000) 11.426 0.787 ( 0.000 -3.121 0.000) 3.121 0.787 ( 0.000 3.121 0.000) 3.121 0.902 ( 0.000 -9.393 0.000) 9.393 0.902 ( 0.000 9.393 0.000) 9.393 0.995 ( 0.000 -5.546 0.000) 5.546 0.995 ( 0.000 5.546 0.000) 5.546 1.127 ( 0.000 -2.747 0.000) 2.747 1.127 ( 0.000 2.747 0.000) 2.747 1.316 ( 0.000 -1.169 0.000) 1.169 1.316 ( 0.000 1.169 0.000) 1.169 1.400 ( 0.000 -2.484 0.000) 2.484 1.400 ( 0.000 2.484 0.000) 2.484 1.594 ( 0.000 -1.422 0.000) 1.422 1.594 ( 0.000 1.422 0.000) 1.422 1.669 ( 0.000 -2.371 0.000) 2.371 1.669 ( 0.000 2.371 0.000) 2.371 1.696 ( 0.000 -5.938 0.000) 5.938 1.696 ( 0.000 5.938 0.000) 5.938 1.845 ( 0.000 -1.277 0.000) 1.277 1.845 ( 0.000 1.277 0.000) 1.277 1.949 ( 0.000 -3.715 0.000) 3.715 1.949 ( 0.000 3.715 0.000) 3.715 2.177 ( 0.000 -0.618 0.000) 0.618 2.177 ( 0.000 0.618 0.000) 0.618 2.453 ( 0.000 -4.315 0.000) 4.315 2.453 ( 0.000 4.315 0.000) 4.315 2.620 ( 0.000 -2.421 0.000) 2.421 2.620 ( 0.000 2.421 0.000) 2.421 2.849 ( 0.000 -0.635 0.000) 0.635 2.849 ( 0.000 0.635 0.000) 0.635 2.882 ( 0.000 -1.059 0.000) 1.059 2.882 ( 0.000 1.059 0.000) 1.059 2.934 ( 0.000 -3.084 0.000) 3.084 2.934 ( 0.000 3.084 0.000) 3.084 3.349 ( 0.000 -1.294 0.000) 1.294 3.349 ( 0.000 1.294 0.000) 1.294 3.791 ( 0.000 -0.811 0.000) 0.811 3.791 ( 0.000 0.811 0.000) 0.811 4.009 ( 0.000 -1.470 0.000) 1.470 4.009 ( 0.000 1.470 0.000) 1.470 4.125 ( 0.000 -1.391 0.000) 1.391 4.125 ( 0.000 1.391 0.000) 1.391 4.256 ( 0.000 -0.256 0.000) 0.256 4.256 ( 0.000 0.256 0.000) 0.256 4.492 ( 0.000 -0.250 0.000) 0.250 4.492 ( 0.000 0.250 0.000) 0.250 5.056 ( 0.000 -1.700 0.000) 1.700 5.056 ( 0.000 1.700 0.000) 1.700 5.110 ( 0.000 -1.538 0.000) 1.538 5.110 ( 0.000 1.538 0.000) 1.538 5.621 ( 0.000 -1.177 0.000) 1.177 5.621 ( 0.000 1.177 0.000) 1.177 5.856 ( 0.000 -0.647 0.000) 0.647 5.856 ( 0.000 0.647 0.000) 0.647 6.163 ( 0.000 -0.920 0.000) 0.920 6.163 ( 0.000 0.920 0.000) 0.920 8.618 ( 0.000 -0.430 0.000) 0.430 8.618 ( 0.000 0.430 0.000) 0.430 12.666 ( 0.000 -3.068 0.000) 3.068 12.666 ( 0.000 3.068 0.000) 3.068 12.960 ( 0.000 -0.823 0.000) 0.823 12.960 ( 0.000 0.823 0.000) 0.823 13.069 ( 0.000 -1.115 0.000) 1.115 13.069 ( 0.000 1.115 0.000) 1.115 13.225 ( 0.000 -1.302 0.000) 1.302 13.225 ( 0.000 1.302 0.000) 1.302 13.444 ( 0.000 -2.590 0.000) 2.590 13.444 ( 0.000 2.590 0.000) 2.590 ======================= Grid point 20 (12/84) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.235 -8.781 -0.380) 8.793 0.439 ( 0.235 8.781 -0.380) 8.793 0.599 ( 5.352 -9.166 2.105) 10.821 0.599 ( 5.352 9.166 2.105) 10.821 0.812 ( 0.953 -2.808 0.918) 3.104 0.812 ( 0.953 2.808 0.918) 3.104 0.964 ( 3.794 -4.755 -0.786) 6.134 0.964 ( 3.794 4.755 -0.786) 6.134 1.050 ( 6.086 -1.493 1.663) 6.483 1.050 ( 6.086 1.493 1.663) 6.483 1.132 ( 3.056 -3.850 -1.906) 5.272 1.132 ( 3.056 3.850 -1.906) 5.272 1.303 ( -1.033 -2.981 1.282) 3.406 1.303 ( -1.033 2.981 1.282) 3.406 1.405 ( 1.702 -4.492 -2.264) 5.310 1.405 ( 1.702 4.492 -2.264) 5.310 1.578 ( -0.424 -1.251 -1.398) 1.923 1.578 ( -0.424 1.251 -1.398) 1.923 1.673 ( -1.323 -4.023 2.710) 5.027 1.673 ( -1.323 4.023 2.710) 5.027 1.719 ( 2.142 -5.492 0.221) 5.899 1.719 ( 2.142 5.492 0.221) 5.899 1.842 ( -0.762 -1.714 0.381) 1.914 1.842 ( -0.762 1.714 0.381) 1.914 1.980 ( 1.150 -3.386 2.209) 4.203 1.980 ( 1.150 3.386 2.209) 4.203 2.164 ( -1.236 -0.788 -0.085) 1.468 2.164 ( -1.236 0.788 -0.085) 1.468 2.417 ( -2.163 -2.972 -1.348) 3.915 2.417 ( -2.163 2.972 -1.348) 3.915 2.600 ( -2.610 -2.038 0.335) 3.329 2.600 ( -2.610 2.038 0.335) 3.329 2.819 ( -2.623 -1.891 -0.532) 3.277 2.819 ( -2.623 1.891 -0.532) 3.277 2.854 ( -1.236 -0.211 0.015) 1.254 2.854 ( -1.236 0.211 0.015) 1.254 2.983 ( 2.901 -2.494 0.391) 3.846 2.983 ( 2.901 2.494 0.391) 3.846 3.304 ( -4.841 -0.970 -0.400) 4.953 3.304 ( -4.841 0.970 -0.400) 4.953 3.790 ( -0.113 -0.746 -0.040) 0.756 3.790 ( -0.113 0.746 -0.040) 0.756 4.013 ( 0.721 -0.550 0.230) 0.936 4.013 ( 0.721 0.550 0.230) 0.936 4.139 ( 0.445 -0.126 0.554) 0.722 4.139 ( 0.445 0.126 0.554) 0.722 4.275 ( 2.216 -0.348 -0.041) 2.244 4.275 ( 2.216 0.348 -0.041) 2.244 4.513 ( 2.507 -0.233 0.049) 2.518 4.513 ( 2.507 0.233 0.049) 2.518 5.033 ( -2.550 -1.389 -0.049) 2.905 5.033 ( -2.550 1.389 -0.049) 2.905 5.125 ( 1.496 -2.022 0.124) 2.519 5.125 ( 1.496 2.022 0.124) 2.519 5.618 ( -0.278 -1.073 -0.108) 1.113 5.618 ( -0.278 1.073 -0.108) 1.113 5.860 ( 0.477 -0.473 -0.064) 0.674 5.860 ( 0.477 0.473 -0.064) 0.674 6.151 ( -1.289 -0.686 -0.137) 1.467 6.151 ( -1.289 0.686 -0.137) 1.467 8.621 ( -0.858 -1.002 1.149) 1.749 8.621 ( -0.858 1.002 1.149) 1.749 12.687 ( 2.218 -3.150 0.089) 3.854 12.687 ( 2.218 3.150 0.089) 3.854 12.960 ( 1.579 -2.263 -2.503) 3.726 12.960 ( 1.579 2.263 -2.503) 3.726 13.123 ( 4.768 -0.779 1.435) 5.039 13.123 ( 4.768 0.779 1.435) 5.039 13.228 ( 0.213 -1.404 0.670) 1.570 13.228 ( 0.213 1.404 0.670) 1.570 13.440 ( 0.872 -1.944 -1.559) 2.640 13.440 ( 0.872 1.944 -1.559) 2.640 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 4.832 -6.026 0.062) 7.725 0.481 ( 4.832 6.026 0.062) 7.725 0.714 ( 4.090 -2.283 2.034) 5.107 0.714 ( 4.090 2.283 2.034) 5.107 0.859 ( 2.437 -4.976 2.978) 6.290 0.859 ( 2.437 4.976 2.978) 6.290 0.971 ( 1.403 -0.298 -3.114) 3.428 0.971 ( 1.403 0.298 -3.114) 3.428 1.088 ( -0.558 -2.685 -0.232) 2.753 1.088 ( -0.558 2.685 -0.232) 2.753 1.235 ( 5.337 -2.216 0.213) 5.783 1.235 ( 5.337 2.216 0.213) 5.783 1.324 ( -0.245 -0.475 0.580) 0.788 1.324 ( -0.245 0.475 0.580) 0.788 1.434 ( 6.406 -3.883 -1.048) 7.564 1.434 ( 6.406 3.883 -1.048) 7.564 1.559 ( 1.036 -2.558 -2.100) 3.468 1.559 ( 1.036 2.558 -2.100) 3.468 1.686 ( -1.634 -3.824 3.113) 5.195 1.686 ( -1.634 3.824 3.113) 5.195 1.768 ( 3.374 -3.211 -0.154) 4.660 1.768 ( 3.374 3.211 -0.154) 4.660 1.821 ( -1.127 -3.339 0.358) 3.543 1.821 ( -1.127 3.339 0.358) 3.543 2.009 ( -0.516 -2.495 1.212) 2.821 2.009 ( -0.516 2.495 1.212) 2.821 2.161 ( 1.512 -0.675 0.429) 1.711 2.161 ( 1.512 0.675 0.429) 1.711 2.378 ( -1.119 -1.927 -0.663) 2.325 2.378 ( -1.119 1.927 -0.663) 2.325 2.549 ( -3.833 -1.118 0.516) 4.026 2.549 ( -3.833 1.118 0.516) 4.026 2.780 ( -1.576 -1.763 -0.310) 2.385 2.780 ( -1.576 1.763 -0.310) 2.385 2.829 ( -1.986 -0.412 0.055) 2.029 2.829 ( -1.986 0.412 0.055) 2.029 3.015 ( 0.528 -1.362 0.060) 1.462 3.015 ( 0.528 1.362 0.060) 1.462 3.199 ( -6.698 -0.670 -0.559) 6.754 3.199 ( -6.698 0.670 -0.559) 6.754 3.785 ( -0.243 -0.464 -0.160) 0.548 3.785 ( -0.243 0.464 -0.160) 0.548 4.038 ( 1.481 -0.572 0.447) 1.649 4.038 ( 1.481 0.572 0.447) 1.649 4.147 ( 0.046 -1.238 0.734) 1.440 4.147 ( 0.046 1.238 0.734) 1.440 4.311 ( 1.795 -0.116 -0.089) 1.801 4.311 ( 1.795 0.116 -0.089) 1.801 4.571 ( 4.336 -0.130 -0.141) 4.341 4.571 ( 4.336 0.130 -0.141) 4.341 4.974 ( -4.364 -0.789 -0.108) 4.436 4.974 ( -4.364 0.789 -0.108) 4.436 5.154 ( 1.745 -2.048 0.103) 2.693 5.154 ( 1.745 2.048 0.103) 2.693 5.612 ( -0.227 -0.683 -0.036) 0.720 5.612 ( -0.227 0.683 -0.036) 0.720 5.866 ( 0.272 -0.360 -0.102) 0.463 5.866 ( 0.272 0.360 -0.102) 0.463 6.118 ( -2.308 -0.088 -0.345) 2.335 6.118 ( -2.308 0.088 -0.345) 2.335 8.609 ( -2.116 -1.050 1.067) 2.592 8.609 ( -2.116 1.050 1.067) 2.592 12.729 ( 2.248 -2.750 0.352) 3.570 12.729 ( 2.248 2.750 0.352) 3.570 12.951 ( 1.150 -2.006 -2.679) 3.539 12.951 ( 1.150 2.006 -2.679) 3.539 13.198 ( 2.503 -0.685 -0.782) 2.711 13.198 ( 2.503 0.685 -0.782) 2.711 13.285 ( 4.987 -1.005 2.480) 5.659 13.285 ( 4.987 1.005 2.480) 5.659 13.445 ( 1.851 -1.758 -1.289) 2.860 13.445 ( 1.851 1.758 -1.289) 2.860 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 4.777 -3.771 0.763) 6.134 0.573 ( 4.777 3.771 0.763) 6.134 0.769 ( 0.908 -0.368 1.402) 1.710 0.769 ( 0.908 0.368 1.402) 1.710 0.948 ( 4.480 -3.201 -0.471) 5.526 0.948 ( 4.480 3.201 -0.471) 5.526 0.964 ( 1.622 -0.999 -0.716) 2.035 0.964 ( 1.622 0.999 -0.716) 2.035 1.080 ( -0.212 -2.510 0.800) 2.643 1.080 ( -0.212 2.510 0.800) 2.643 1.274 ( -1.781 -2.576 1.526) 3.484 1.274 ( -1.781 2.576 1.526) 3.484 1.294 ( -0.216 -2.638 -2.791) 3.846 1.294 ( -0.216 2.638 -2.791) 3.846 1.496 ( -0.475 -1.436 0.775) 1.699 1.496 ( -0.475 1.436 0.775) 1.699 1.584 ( 3.606 -2.626 -1.610) 4.743 1.584 ( 3.606 2.626 -1.610) 4.743 1.684 ( -0.447 -1.187 0.366) 1.320 1.684 ( -0.447 1.187 0.366) 1.320 1.765 ( -0.286 -1.571 -0.050) 1.598 1.765 ( -0.286 1.571 -0.050) 1.598 1.910 ( 5.542 -2.840 1.650) 6.442 1.910 ( 5.542 2.840 1.650) 6.442 2.003 ( 0.408 -3.276 0.264) 3.312 2.003 ( 0.408 3.276 0.264) 3.312 2.223 ( 4.829 -0.922 0.654) 4.959 2.223 ( 4.829 0.922 0.654) 4.959 2.362 ( -0.148 -2.408 -0.010) 2.412 2.362 ( -0.148 2.408 -0.010) 2.412 2.498 ( -2.909 -0.915 0.525) 3.094 2.498 ( -2.909 0.915 0.525) 3.094 2.740 ( -4.107 -0.344 0.006) 4.121 2.740 ( -4.107 0.344 0.006) 4.121 2.804 ( 0.017 -0.866 -0.478) 0.990 2.804 ( 0.017 0.866 -0.478) 0.990 2.993 ( -3.554 -0.191 -0.042) 3.559 2.993 ( -3.554 0.191 -0.042) 3.559 3.097 ( -4.057 -0.420 -0.519) 4.111 3.097 ( -4.057 0.420 -0.519) 4.111 3.783 ( 0.291 -1.844 -0.161) 1.874 3.783 ( 0.291 1.844 -0.161) 1.874 4.063 ( 0.767 -1.520 0.498) 1.774 4.063 ( 0.767 1.520 0.498) 1.774 4.162 ( 0.566 -1.491 0.683) 1.735 4.162 ( 0.566 1.491 0.683) 1.735 4.330 ( 0.961 -0.276 -0.332) 1.054 4.330 ( 0.961 0.276 -0.332) 1.054 4.644 ( 4.427 -0.247 -0.110) 4.436 4.644 ( 4.427 0.247 -0.110) 4.436 4.894 ( -5.009 -0.244 -0.134) 5.017 4.894 ( -5.009 0.244 -0.134) 5.017 5.180 ( 1.132 -1.526 0.073) 1.901 5.180 ( 1.132 1.526 0.073) 1.901 5.612 ( 0.261 -0.258 0.054) 0.371 5.612 ( 0.261 0.258 0.054) 0.371 5.866 ( -0.156 -0.300 -0.094) 0.351 5.866 ( -0.156 0.300 -0.094) 0.351 6.073 ( -2.347 -0.603 -0.419) 2.459 6.073 ( -2.347 0.603 -0.419) 2.459 8.583 ( -2.002 -0.403 0.733) 2.169 8.583 ( -2.002 0.403 0.733) 2.169 12.763 ( 1.210 -2.195 0.530) 2.562 12.763 ( 1.210 2.195 0.530) 2.562 12.938 ( 0.731 -0.790 -2.065) 2.328 12.938 ( 0.731 0.790 -2.065) 2.328 13.218 ( 1.493 -0.131 -0.676) 1.644 13.218 ( 1.493 0.131 -0.676) 1.644 13.397 ( 4.489 -1.792 1.703) 5.125 13.397 ( 4.489 1.792 1.703) 5.125 13.469 ( 2.369 -1.075 -0.497) 2.649 13.469 ( 2.369 1.075 -0.497) 2.649 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 1.149 -1.069 0.475) 1.640 0.630 ( 1.149 1.069 0.475) 1.640 0.810 ( 1.820 -2.544 1.812) 3.615 0.810 ( 1.820 2.544 1.812) 3.615 0.921 ( -0.809 -1.154 -3.034) 3.345 0.921 ( -0.809 1.154 -3.034) 3.345 1.045 ( 3.358 -1.986 0.139) 3.903 1.045 ( 3.358 1.986 0.139) 3.903 1.108 ( 1.619 -1.547 2.280) 3.196 1.108 ( 1.619 1.547 2.280) 3.196 1.215 ( -4.290 -2.729 -0.689) 5.131 1.215 ( -4.290 2.729 -0.689) 5.131 1.278 ( 0.330 -1.749 -1.078) 2.081 1.278 ( 0.330 1.749 -1.078) 2.081 1.482 ( -0.954 -3.425 0.036) 3.556 1.482 ( -0.954 3.425 0.036) 3.556 1.597 ( -0.128 -2.516 -0.054) 2.520 1.597 ( -0.128 2.516 -0.054) 2.520 1.697 ( 1.107 -1.631 -0.265) 1.989 1.697 ( 1.107 1.631 -0.265) 1.989 1.792 ( 2.371 -3.267 0.945) 4.146 1.792 ( 2.371 3.267 0.945) 4.146 1.906 ( -3.085 -4.133 -0.688) 5.202 1.906 ( -3.085 4.133 -0.688) 5.202 2.069 ( 2.882 -0.317 0.604) 2.962 2.069 ( 2.882 0.317 0.604) 2.962 2.311 ( 3.535 -0.843 0.182) 3.639 2.311 ( 3.535 0.843 0.182) 3.639 2.384 ( 1.821 -3.223 0.599) 3.750 2.384 ( 1.821 3.223 0.599) 3.750 2.477 ( 0.824 -0.344 -0.029) 0.894 2.477 ( 0.824 0.344 -0.029) 0.894 2.645 ( -6.138 -0.353 0.003) 6.148 2.645 ( -6.138 0.353 0.003) 6.148 2.821 ( 2.211 -0.084 -0.456) 2.259 2.821 ( 2.211 0.084 -0.456) 2.259 2.918 ( -4.113 -0.872 0.007) 4.204 2.918 ( -4.113 0.872 0.007) 4.204 3.056 ( -0.884 -0.404 -0.176) 0.988 3.056 ( -0.884 0.404 -0.176) 0.988 3.789 ( 0.364 -2.419 -0.058) 2.446 3.789 ( 0.364 2.419 -0.058) 2.446 4.075 ( 0.246 -2.462 0.272) 2.489 4.075 ( 0.246 2.462 0.272) 2.489 4.172 ( -0.009 -0.643 0.228) 0.682 4.172 ( -0.009 0.643 0.228) 0.682 4.340 ( 0.633 -0.595 -0.222) 0.897 4.340 ( 0.633 0.595 -0.222) 0.897 4.707 ( 2.947 -1.053 0.060) 3.130 4.707 ( 2.947 1.053 0.060) 3.130 4.818 ( -3.409 -0.152 -0.131) 3.414 4.818 ( -3.409 0.152 -0.131) 3.414 5.192 ( 0.304 -1.057 0.034) 1.101 5.192 ( 0.304 1.057 0.034) 1.101 5.619 ( 0.298 -0.069 0.037) 0.308 5.619 ( 0.298 0.069 0.037) 0.308 5.861 ( -0.201 -0.117 -0.045) 0.237 5.861 ( -0.201 0.117 -0.045) 0.237 6.041 ( -0.996 -0.988 -0.187) 1.415 6.041 ( -0.996 0.988 -0.187) 1.415 8.566 ( -0.777 -0.119 0.277) 0.834 8.566 ( -0.777 0.119 0.277) 0.834 12.780 ( 0.284 -1.814 0.247) 1.852 12.780 ( 0.284 1.814 0.247) 1.852 12.930 ( 0.295 -0.028 -0.774) 0.829 12.930 ( 0.295 0.028 -0.774) 0.829 13.231 ( 0.647 -0.030 -0.254) 0.696 13.231 ( 0.647 0.030 -0.254) 0.696 13.454 ( 1.110 -4.674 0.430) 4.824 13.454 ( 1.110 4.674 0.430) 4.824 13.505 ( 1.592 -1.079 0.093) 1.925 13.505 ( 1.592 1.079 0.093) 1.925 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -11.629 0.000 9.896) 15.270 0.301 ( 3.929 0.000 14.564) 15.085 0.391 ( 4.861 0.000 18.679) 19.301 0.744 ( -8.180 0.000 -1.239) 8.273 0.775 ( 11.400 0.000 -2.087) 11.589 0.778 ( -0.556 0.000 0.777) 0.956 0.833 ( -0.144 0.000 0.722) 0.736 0.952 ( -1.965 0.000 1.218) 2.312 1.022 ( 2.519 0.000 -2.339) 3.437 1.055 ( 0.716 0.000 0.236) 0.754 1.100 ( -1.782 0.000 -4.162) 4.527 1.158 ( -0.295 0.000 -4.501) 4.510 1.247 ( 0.705 0.000 1.112) 1.317 1.340 ( -2.831 0.000 2.316) 3.658 1.499 ( -0.907 0.000 0.467) 1.020 1.501 ( 0.554 0.000 0.142) 0.572 1.531 ( -0.038 0.000 -1.760) 1.760 1.544 ( 2.529 0.000 -1.429) 2.905 1.661 ( -1.665 0.000 0.059) 1.666 1.668 ( 1.311 0.000 -3.719) 3.943 1.722 ( -1.931 0.000 1.276) 2.315 1.765 ( -1.779 0.000 -0.221) 1.792 1.820 ( 0.318 0.000 0.139) 0.347 1.844 ( 0.914 0.000 0.033) 0.915 2.014 ( 1.631 0.000 2.129) 2.682 2.022 ( 1.043 0.000 -1.914) 2.180 2.155 ( 0.744 0.000 1.915) 2.054 2.180 ( 0.409 0.000 0.578) 0.708 2.367 ( -1.246 0.000 1.073) 1.644 2.429 ( 0.841 0.000 -0.634) 1.053 2.557 ( 0.348 0.000 0.780) 0.854 2.666 ( 0.924 0.000 -1.122) 1.453 2.823 ( -3.012 0.000 0.152) 3.015 2.862 ( -0.416 0.000 0.012) 0.416 2.863 ( 0.464 0.000 0.174) 0.495 2.872 ( 3.035 0.000 0.970) 3.186 2.910 ( 0.062 0.000 -0.753) 0.756 3.021 ( 3.062 0.000 -1.616) 3.462 3.321 ( -0.788 0.000 0.451) 0.908 3.375 ( -0.258 0.000 -0.365) 0.447 3.781 ( -0.331 0.000 0.401) 0.520 3.813 ( -0.040 0.000 -0.377) 0.379 3.974 ( 0.677 0.000 0.634) 0.927 4.034 ( -2.027 0.000 -0.639) 2.125 4.097 ( 2.800 0.000 1.595) 3.222 4.161 ( -0.885 0.000 0.009) 0.885 4.247 ( 0.149 0.000 -0.079) 0.169 4.259 ( 0.094 0.000 -0.254) 0.271 4.489 ( 0.009 0.000 0.444) 0.444 4.491 ( -0.125 0.000 0.366) 0.386 5.005 ( 0.803 0.000 0.056) 0.805 5.071 ( -0.750 0.000 1.267) 1.473 5.088 ( -0.787 0.000 -1.241) 1.469 5.156 ( 2.012 0.000 -0.055) 2.013 5.597 ( 0.016 0.000 0.427) 0.427 5.650 ( -0.029 0.000 -0.458) 0.459 5.853 ( -3.290 0.000 0.351) 3.309 5.872 ( -0.004 0.000 0.142) 0.142 6.141 ( 0.525 0.000 0.024) 0.525 6.179 ( -0.230 0.000 -0.851) 0.882 8.627 ( -0.067 0.000 1.199) 1.201 8.676 ( 6.961 0.000 0.262) 6.966 12.612 ( -0.950 0.000 2.111) 2.315 12.758 ( -0.662 0.000 0.345) 0.746 12.888 ( -1.166 0.000 -3.156) 3.364 12.917 ( -4.348 0.000 -2.263) 4.901 13.057 ( 3.142 0.000 3.023) 4.360 13.079 ( -0.029 0.000 0.969) 0.969 13.226 ( -1.830 0.000 0.150) 1.836 13.324 ( 1.960 0.000 -2.057) 2.841 13.374 ( -6.958 0.000 0.405) 6.970 13.386 ( -0.844 0.000 0.164) 0.860 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 13.514 0.000 3.023) 13.848 0.509 ( 0.462 0.000 8.642) 8.654 0.673 ( 3.634 0.000 1.735) 4.027 0.721 ( 8.295 0.000 13.562) 15.898 0.816 ( 1.617 0.000 1.302) 2.076 0.824 ( 0.177 0.000 0.035) 0.181 0.931 ( 0.457 0.000 0.124) 0.473 1.000 ( 9.456 0.000 -1.200) 9.531 1.019 ( -0.040 0.000 -4.900) 4.900 1.019 ( 3.684 0.000 -3.926) 5.384 1.081 ( 2.279 0.000 2.079) 3.085 1.142 ( 3.232 0.000 -4.128) 5.243 1.285 ( 1.382 0.000 2.139) 2.546 1.344 ( 2.499 0.000 -1.199) 2.772 1.470 ( -3.827 0.000 -0.236) 3.835 1.482 ( -1.697 0.000 -0.276) 1.719 1.535 ( 0.339 0.000 -1.549) 1.585 1.555 ( 5.666 0.000 -2.705) 6.279 1.600 ( -4.331 0.000 2.316) 4.912 1.675 ( 1.164 0.000 -1.548) 1.937 1.740 ( -0.310 0.000 0.790) 0.849 1.749 ( 2.121 0.000 0.184) 2.129 1.817 ( -1.132 0.000 0.699) 1.330 1.826 ( -0.107 0.000 -3.700) 3.701 2.026 ( -1.803 0.000 -0.949) 2.038 2.048 ( 1.954 0.000 1.452) 2.435 2.183 ( -0.060 0.000 1.626) 1.627 2.196 ( 0.170 0.000 1.242) 1.254 2.355 ( -1.295 0.000 0.479) 1.380 2.377 ( -3.357 0.000 1.574) 3.707 2.555 ( -1.633 0.000 0.621) 1.747 2.639 ( -2.544 0.000 -1.046) 2.750 2.775 ( -2.488 0.000 0.832) 2.623 2.848 ( -1.449 0.000 0.013) 1.449 2.861 ( -1.245 0.000 -0.141) 1.253 2.885 ( -1.556 0.000 -0.566) 1.656 2.942 ( 3.466 0.000 0.890) 3.578 3.034 ( 1.768 0.000 -2.729) 3.252 3.281 ( -5.083 0.000 0.613) 5.120 3.318 ( -5.488 0.000 -0.435) 5.505 3.781 ( 0.147 0.000 0.324) 0.356 3.792 ( -2.189 0.000 -0.634) 2.279 4.013 ( 2.110 0.000 1.058) 2.360 4.020 ( 1.421 0.000 0.002) 1.421 4.131 ( -2.089 0.000 -0.581) 2.169 4.160 ( 1.801 0.000 1.499) 2.343 4.267 ( 2.388 0.000 0.085) 2.389 4.277 ( 2.147 0.000 -0.450) 2.193 4.515 ( 2.427 0.000 0.503) 2.478 4.517 ( 2.728 0.000 -0.268) 2.741 5.008 ( -1.310 0.000 0.874) 1.575 5.043 ( -2.621 0.000 -1.610) 3.076 5.080 ( 0.365 0.000 1.012) 1.076 5.183 ( 1.704 0.000 -0.637) 1.819 5.603 ( -0.011 0.000 0.545) 0.545 5.638 ( -0.573 0.000 -0.608) 0.836 5.848 ( 0.393 0.000 0.301) 0.495 5.876 ( 0.158 0.000 0.152) 0.219 6.141 ( -0.709 0.000 0.282) 0.763 6.149 ( -1.853 0.000 -1.238) 2.229 8.630 ( -1.330 0.000 1.298) 1.859 8.705 ( -1.090 0.000 -1.181) 1.607 12.642 ( 1.176 0.000 2.547) 2.805 12.767 ( 1.091 0.000 0.548) 1.220 12.857 ( 1.145 0.000 -2.271) 2.544 12.939 ( 4.933 0.000 -5.474) 7.369 13.109 ( 3.666 0.000 -0.227) 3.673 13.167 ( 6.120 0.000 1.868) 6.399 13.217 ( 0.349 0.000 -0.432) 0.556 13.314 ( -0.336 0.000 -0.570) 0.662 13.347 ( 0.430 0.000 1.514) 1.574 13.412 ( 3.250 0.000 -0.229) 3.258 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.374 0.000 1.981) 2.016 0.585 ( 13.693 0.000 0.368) 13.698 0.746 ( -3.064 0.000 -2.123) 3.727 0.815 ( 5.068 0.000 1.186) 5.205 0.848 ( 0.465 0.000 -0.082) 0.472 0.948 ( 0.832 0.000 0.728) 1.105 0.963 ( 5.131 0.000 -0.406) 5.147 0.971 ( -0.123 0.000 -2.511) 2.514 1.050 ( -1.252 0.000 2.016) 2.373 1.065 ( 6.955 0.000 5.835) 9.078 1.155 ( 2.443 0.000 -2.071) 3.202 1.235 ( 7.254 0.000 0.101) 7.255 1.330 ( 1.236 0.000 1.190) 1.716 1.369 ( 2.632 0.000 -3.509) 4.386 1.431 ( 1.531 0.000 0.096) 1.534 1.449 ( -1.068 0.000 -0.471) 1.167 1.561 ( 1.400 0.000 0.960) 1.697 1.573 ( -2.964 0.000 2.669) 3.989 1.621 ( 3.250 0.000 -2.239) 3.946 1.654 ( 1.800 0.000 -1.736) 2.501 1.769 ( 0.413 0.000 1.539) 1.593 1.770 ( 4.312 0.000 -3.110) 5.317 1.813 ( 0.520 0.000 1.322) 1.421 1.828 ( 4.567 0.000 -0.561) 4.601 1.936 ( -5.929 0.000 -2.605) 6.475 2.092 ( 1.050 0.000 1.072) 1.500 2.189 ( -0.211 0.000 0.305) 0.370 2.216 ( 1.248 0.000 0.337) 1.293 2.337 ( -1.467 0.000 0.392) 1.518 2.384 ( 0.508 0.000 2.886) 2.930 2.525 ( -2.482 0.000 0.380) 2.511 2.568 ( -4.317 0.000 -1.027) 4.438 2.766 ( -0.254 0.000 1.335) 1.359 2.812 ( -2.967 0.000 -0.101) 2.969 2.818 ( -2.835 0.000 -0.649) 2.908 2.854 ( -1.806 0.000 -0.588) 1.899 2.997 ( 1.802 0.000 0.765) 1.958 3.017 ( -0.376 0.000 -2.356) 2.386 3.181 ( -7.254 0.000 0.514) 7.273 3.208 ( -6.993 0.000 -0.011) 6.993 3.741 ( -2.419 0.000 -0.634) 2.501 3.798 ( 1.333 0.000 0.289) 1.364 4.039 ( -0.860 0.000 0.353) 0.929 4.064 ( 2.947 0.000 0.314) 2.964 4.105 ( 0.454 0.000 -0.151) 0.478 4.193 ( 0.937 0.000 0.904) 1.302 4.303 ( 1.448 0.000 -0.509) 1.535 4.310 ( 2.063 0.000 0.093) 2.065 4.570 ( 3.999 0.000 -0.317) 4.011 4.576 ( 4.180 0.000 0.383) 4.197 4.968 ( -4.224 0.000 -1.468) 4.472 4.977 ( -3.913 0.000 1.238) 4.104 5.109 ( 1.755 0.000 0.811) 1.934 5.200 ( 1.340 0.000 -0.738) 1.530 5.609 ( 0.034 0.000 0.466) 0.467 5.621 ( -0.434 0.000 -0.526) 0.681 5.855 ( 0.206 0.000 0.091) 0.225 5.878 ( -0.127 0.000 0.074) 0.147 6.095 ( -2.783 0.000 -1.121) 3.000 6.124 ( -1.768 0.000 0.281) 1.790 8.616 ( -1.876 0.000 0.886) 2.075 8.654 ( -3.207 0.000 -0.654) 3.273 12.700 ( 1.490 0.000 2.960) 3.314 12.795 ( 1.409 0.000 0.083) 1.412 12.872 ( 2.508 0.000 -0.301) 2.526 12.926 ( 1.001 0.000 -3.573) 3.710 13.170 ( 4.376 0.000 -1.767) 4.720 13.221 ( 0.889 0.000 -0.480) 1.010 13.262 ( 4.045 0.000 -1.938) 4.485 13.339 ( 2.895 0.000 2.797) 4.025 13.403 ( 4.115 0.000 0.940) 4.221 13.471 ( 4.169 0.000 -0.407) 4.189 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 3.176 0.000 1.342) 3.448 0.696 ( 1.220 0.000 -2.530) 2.809 0.772 ( -1.243 0.000 -8.898) 8.985 0.789 ( 9.373 0.000 0.037) 9.373 0.828 ( 0.217 0.000 -2.134) 2.145 0.947 ( -1.730 0.000 0.072) 1.732 0.994 ( 0.941 0.000 2.506) 2.677 1.029 ( 3.574 0.000 1.193) 3.768 1.104 ( 1.471 0.000 5.525) 5.717 1.152 ( 0.378 0.000 -1.830) 1.869 1.227 ( 6.450 0.000 -1.275) 6.575 1.284 ( -0.851 0.000 1.577) 1.792 1.356 ( 1.555 0.000 0.602) 1.667 1.378 ( 1.350 0.000 1.531) 2.041 1.446 ( -0.832 0.000 2.891) 3.009 1.494 ( 2.956 0.000 -1.418) 3.278 1.511 ( -3.459 0.000 -2.753) 4.421 1.536 ( -4.108 0.000 1.422) 4.347 1.622 ( 4.349 0.000 -3.796) 5.772 1.697 ( -3.135 0.000 2.347) 3.916 1.760 ( -2.237 0.000 -0.324) 2.260 1.811 ( -2.787 0.000 -2.344) 3.641 1.845 ( 3.500 0.000 2.487) 4.293 1.921 ( 5.687 0.000 -1.910) 5.999 1.934 ( 11.055 0.000 1.811) 11.202 2.106 ( 1.000 0.000 -0.793) 1.277 2.218 ( 4.854 0.000 -0.114) 4.856 2.244 ( 2.481 0.000 -0.954) 2.658 2.313 ( -1.753 0.000 -0.092) 1.755 2.437 ( 1.284 0.000 2.422) 2.742 2.485 ( -3.831 0.000 -1.027) 3.967 2.494 ( -1.194 0.000 0.199) 1.211 2.745 ( -5.031 0.000 -0.086) 5.032 2.752 ( -5.121 0.000 -0.227) 5.126 2.794 ( 1.741 0.000 1.043) 2.029 2.816 ( -0.906 0.000 -1.266) 1.556 2.961 ( -3.898 0.000 -1.185) 4.074 3.008 ( -1.997 0.000 0.574) 2.078 3.082 ( -4.381 0.000 -0.025) 4.381 3.106 ( -4.773 0.000 0.197) 4.777 3.712 ( -0.469 0.000 -0.040) 0.471 3.823 ( 1.276 0.000 0.018) 1.276 4.014 ( -1.202 0.000 -0.352) 1.253 4.112 ( 2.447 0.000 0.146) 2.452 4.128 ( 1.296 0.000 0.444) 1.370 4.207 ( -0.327 0.000 -0.132) 0.352 4.315 ( 0.800 0.000 -0.285) 0.849 4.335 ( 1.353 0.000 -0.106) 1.357 4.635 ( 3.835 0.000 0.031) 3.835 4.655 ( 4.759 0.000 0.261) 4.767 4.878 ( -4.433 0.000 -1.105) 4.569 4.912 ( -5.394 0.000 1.039) 5.493 5.147 ( 1.493 0.000 0.597) 1.608 5.209 ( 0.772 0.000 -0.643) 1.005 5.615 ( 0.337 0.000 -0.279) 0.438 5.615 ( 0.294 0.000 0.212) 0.362 5.857 ( -0.082 0.000 0.122) 0.147 5.871 ( -0.778 0.000 -0.026) 0.778 6.042 ( -2.257 0.000 -0.383) 2.289 6.093 ( -2.025 0.000 0.151) 2.030 8.593 ( -1.602 0.000 0.198) 1.614 8.597 ( -2.649 0.000 -0.479) 2.692 12.744 ( -0.106 0.000 2.105) 2.107 12.813 ( 1.096 0.000 -0.339) 1.147 12.913 ( 0.941 0.000 -0.849) 1.267 12.915 ( 1.590 0.000 1.000) 1.878 13.208 ( 2.347 0.000 -0.614) 2.426 13.236 ( 1.591 0.000 -0.604) 1.702 13.285 ( 1.703 0.000 -1.023) 1.987 13.428 ( 3.666 0.000 1.457) 3.945 13.484 ( 4.477 0.000 0.037) 4.477 13.531 ( 3.801 0.000 -0.900) 3.906 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -1.953 0.000 -3.838) 4.307 0.704 ( 6.785 0.000 -2.853) 7.361 0.720 ( 3.322 0.000 -1.488) 3.640 0.776 ( -1.089 0.000 -0.629) 1.258 0.906 ( -2.264 0.000 -0.251) 2.278 0.932 ( 5.868 0.000 -1.620) 6.087 1.038 ( -0.371 0.000 3.215) 3.236 1.088 ( 0.307 0.000 0.422) 0.521 1.140 ( 1.999 0.000 -0.393) 2.037 1.161 ( -1.053 0.000 2.766) 2.959 1.266 ( -2.014 0.000 -0.063) 2.015 1.270 ( 2.383 0.000 -3.295) 4.067 1.387 ( -2.377 0.000 -1.451) 2.785 1.405 ( 2.483 0.000 1.374) 2.837 1.437 ( -4.189 0.000 -1.327) 4.395 1.453 ( 0.748 0.000 1.649) 1.810 1.513 ( 2.384 0.000 4.229) 4.854 1.529 ( 0.182 0.000 0.721) 0.743 1.617 ( -6.592 0.000 1.627) 6.790 1.688 ( 6.757 0.000 -2.420) 7.177 1.698 ( -2.534 0.000 -0.185) 2.541 1.805 ( 1.006 0.000 -0.415) 1.088 1.902 ( -3.532 0.000 -1.495) 3.836 1.939 ( 2.879 0.000 3.154) 4.270 2.109 ( 5.276 0.000 0.514) 5.301 2.109 ( 0.506 0.000 -1.925) 1.991 2.277 ( 2.584 0.000 -0.779) 2.699 2.283 ( -0.126 0.000 0.148) 0.194 2.336 ( 5.344 0.000 -0.983) 5.433 2.438 ( 0.747 0.000 -0.684) 1.012 2.450 ( 0.317 0.000 -1.187) 1.228 2.510 ( 0.992 0.000 1.051) 1.446 2.639 ( -6.920 0.000 -0.294) 6.926 2.652 ( -5.108 0.000 -0.091) 5.108 2.819 ( 2.808 0.000 -0.399) 2.836 2.841 ( 2.408 0.000 0.494) 2.458 2.887 ( -3.508 0.000 0.209) 3.514 2.946 ( -4.607 0.000 0.105) 4.608 3.040 ( -0.852 0.000 -0.288) 0.900 3.065 ( -0.958 0.000 -0.136) 0.968 3.718 ( 0.334 0.000 0.732) 0.805 3.836 ( 0.510 0.000 -0.380) 0.636 4.001 ( -0.052 0.000 0.042) 0.067 4.145 ( 0.145 0.000 0.203) 0.249 4.149 ( 2.247 0.000 -0.363) 2.277 4.175 ( -2.142 0.000 -1.234) 2.472 4.327 ( 0.660 0.000 0.118) 0.671 4.355 ( 1.001 0.000 -0.125) 1.009 4.686 ( 1.388 0.000 0.634) 1.526 4.731 ( 4.131 0.000 -0.106) 4.132 4.815 ( -1.257 0.000 -0.554) 1.374 4.830 ( -5.448 0.000 0.592) 5.480 5.166 ( 0.187 0.000 0.220) 0.289 5.211 ( 0.381 0.000 -0.510) 0.637 5.621 ( 0.153 0.000 -0.047) 0.160 5.622 ( 0.466 0.000 -0.121) 0.482 5.857 ( -0.060 0.000 0.243) 0.250 5.859 ( -0.393 0.000 0.195) 0.438 6.018 ( -0.644 0.000 0.402) 0.759 6.067 ( -1.035 0.000 -0.059) 1.036 8.562 ( -0.867 0.000 -0.486) 0.994 8.570 ( -0.824 0.000 -0.525) 0.977 12.745 ( -1.225 0.000 0.548) 1.342 12.824 ( 0.600 0.000 -0.282) 0.663 12.934 ( 0.649 0.000 1.663) 1.785 12.941 ( 0.041 0.000 1.390) 1.390 13.236 ( 1.122 0.000 -0.159) 1.134 13.262 ( 1.532 0.000 1.251) 1.978 13.293 ( 0.515 0.000 -1.109) 1.222 13.480 ( 1.062 0.000 0.658) 1.250 13.533 ( 1.805 0.000 -0.968) 2.049 13.563 ( 1.759 0.000 -1.837) 2.543 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -0.900 0.000 -3.486) 3.600 0.721 ( 0.563 0.000 -1.591) 1.688 0.805 ( 5.580 0.000 0.227) 5.585 0.807 ( 2.250 0.000 0.748) 2.371 0.882 ( 0.540 0.000 -1.140) 1.262 0.930 ( -3.935 0.000 -2.284) 4.550 1.022 ( -3.887 0.000 -1.312) 4.103 1.039 ( -2.070 0.000 -3.129) 3.752 1.155 ( -3.708 0.000 4.474) 5.811 1.192 ( 1.649 0.000 1.487) 2.221 1.225 ( -2.222 0.000 -1.919) 2.936 1.234 ( -0.235 0.000 -1.030) 1.057 1.359 ( -3.039 0.000 -1.649) 3.458 1.386 ( 1.344 0.000 0.756) 1.542 1.451 ( 1.907 0.000 0.156) 1.913 1.487 ( 1.710 0.000 1.191) 2.085 1.557 ( 0.718 0.000 2.033) 2.156 1.559 ( -4.073 0.000 5.945) 7.207 1.610 ( 2.923 0.000 0.529) 2.971 1.693 ( 2.880 0.000 -0.911) 3.020 1.765 ( 4.279 0.000 -0.057) 4.280 1.790 ( -6.001 0.000 -2.546) 6.519 1.820 ( 1.440 0.000 0.496) 1.523 2.020 ( 0.881 0.000 3.499) 3.608 2.068 ( -0.871 0.000 -3.764) 3.863 2.080 ( -8.122 0.000 -0.405) 8.132 2.287 ( -0.583 0.000 -0.475) 0.752 2.294 ( -2.576 0.000 -1.195) 2.840 2.319 ( -0.865 0.000 0.467) 0.983 2.416 ( -3.173 0.000 -2.846) 4.262 2.458 ( -0.306 0.000 0.304) 0.431 2.468 ( -2.927 0.000 -0.366) 2.950 2.654 ( 6.974 0.000 0.210) 6.977 2.656 ( 5.891 0.000 -0.085) 5.891 2.828 ( -4.082 0.000 -0.208) 4.087 2.846 ( -1.158 0.000 0.664) 1.335 2.905 ( 5.654 0.000 0.921) 5.729 2.937 ( 3.706 0.000 -0.314) 3.719 3.042 ( 1.335 0.000 -0.087) 1.338 3.058 ( 0.627 0.000 -0.501) 0.803 3.732 ( -0.086 0.000 1.349) 1.352 3.829 ( -0.510 0.000 -0.787) 0.938 4.014 ( 0.911 0.000 0.823) 1.228 4.118 ( -2.026 0.000 -2.021) 2.862 4.135 ( -1.229 0.000 -0.274) 1.259 4.177 ( 1.512 0.000 -0.704) 1.668 4.333 ( -0.276 0.000 0.346) 0.443 4.356 ( -0.791 0.000 -0.184) 0.812 4.686 ( -1.894 0.000 0.562) 1.976 4.734 ( -4.856 0.000 0.093) 4.857 4.807 ( 3.853 0.000 -0.531) 3.889 4.839 ( 3.633 0.000 0.548) 3.674 5.160 ( -1.062 0.000 0.037) 1.063 5.212 ( 0.419 0.000 -0.471) 0.630 5.616 ( -0.533 0.000 -0.251) 0.589 5.623 ( -0.105 0.000 -0.048) 0.116 5.862 ( 0.206 0.000 0.446) 0.491 5.865 ( 0.548 0.000 0.312) 0.631 6.032 ( 1.397 0.000 0.948) 1.688 6.062 ( 0.681 0.000 -0.305) 0.746 8.556 ( 0.262 0.000 -0.980) 1.014 8.560 ( 1.339 0.000 -0.526) 1.439 12.725 ( -1.685 0.000 0.258) 1.705 12.825 ( -0.103 0.000 -0.236) 0.258 12.951 ( -1.204 0.000 1.775) 2.145 12.964 ( 0.195 0.000 2.176) 2.184 13.241 ( 0.060 0.000 -0.369) 0.374 13.277 ( -0.067 0.000 -1.984) 1.986 13.316 ( 0.960 0.000 4.161) 4.270 13.469 ( -2.841 0.000 -0.711) 2.928 13.518 ( -1.837 0.000 -1.426) 2.325 13.550 ( -0.400 0.000 -1.667) 1.714 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -2.908 0.000 -2.651) 3.935 0.689 ( -4.246 0.000 -8.581) 9.574 0.766 ( -4.341 0.000 -1.551) 4.610 0.810 ( -2.356 0.000 -0.237) 2.368 0.834 ( -3.632 0.000 -2.120) 4.206 0.892 ( 2.692 0.000 -2.325) 3.557 0.938 ( -1.419 0.000 0.234) 1.438 1.041 ( 2.426 0.000 1.361) 2.782 1.130 ( -9.326 0.000 3.001) 9.797 1.131 ( -3.709 0.000 1.675) 4.070 1.235 ( 0.096 0.000 2.427) 2.428 1.266 ( 2.875 0.000 1.511) 3.248 1.299 ( -0.668 0.000 -2.194) 2.293 1.411 ( 1.159 0.000 0.543) 1.280 1.478 ( 1.408 0.000 -0.128) 1.413 1.556 ( -5.983 0.000 1.844) 6.261 1.567 ( 6.560 0.000 -0.701) 6.598 1.577 ( -3.033 0.000 5.416) 6.207 1.610 ( -1.785 0.000 -1.614) 2.407 1.668 ( -4.027 0.000 -2.102) 4.543 1.716 ( 0.642 0.000 -1.874) 1.981 1.824 ( 2.131 0.000 0.763) 2.264 1.889 ( -2.920 0.000 1.839) 3.451 1.906 ( -2.216 0.000 0.189) 2.224 1.997 ( -4.640 0.000 -0.596) 4.678 2.032 ( -0.717 0.000 -1.654) 1.803 2.185 ( -4.468 0.000 -1.343) 4.666 2.249 ( -3.069 0.000 -0.545) 3.117 2.330 ( -2.312 0.000 -2.287) 3.252 2.349 ( 0.720 0.000 1.864) 1.998 2.457 ( 1.893 0.000 -1.289) 2.291 2.494 ( 4.299 0.000 -0.141) 4.301 2.753 ( 3.085 0.000 0.024) 3.085 2.764 ( 5.360 0.000 0.054) 5.361 2.766 ( -0.723 0.000 -0.143) 0.737 2.842 ( 0.100 0.000 0.139) 0.171 2.984 ( 1.249 0.000 -0.764) 1.464 3.018 ( 5.291 0.000 1.171) 5.419 3.084 ( 4.138 0.000 0.306) 4.149 3.096 ( 5.464 0.000 -0.323) 5.474 3.752 ( 0.540 0.000 1.706) 1.789 3.804 ( -1.107 0.000 -1.089) 1.552 4.040 ( 0.162 0.000 1.231) 1.241 4.066 ( -1.348 0.000 -1.988) 2.402 4.108 ( -0.986 0.000 -0.288) 1.027 4.175 ( -0.615 0.000 -1.052) 1.218 4.329 ( -0.637 0.000 0.228) 0.676 4.331 ( -1.573 0.000 -0.349) 1.611 4.647 ( -3.446 0.000 0.496) 3.481 4.649 ( -5.194 0.000 -0.012) 5.194 4.872 ( 4.679 0.000 -0.866) 4.759 4.925 ( 5.189 0.000 0.947) 5.274 5.134 ( -2.157 0.000 0.206) 2.167 5.211 ( 0.045 0.000 -0.617) 0.618 5.601 ( -0.722 0.000 -0.385) 0.819 5.624 ( 0.302 0.000 0.090) 0.315 5.875 ( 0.376 0.000 0.827) 0.908 5.875 ( 0.292 0.000 0.044) 0.295 6.080 ( 1.857 0.000 -0.488) 1.920 6.081 ( 2.870 0.000 1.052) 3.057 8.558 ( 1.333 0.000 -0.863) 1.588 8.590 ( 3.081 0.000 -0.804) 3.185 12.696 ( -2.529 0.000 0.570) 2.592 12.816 ( -0.767 0.000 -0.071) 0.771 12.943 ( -2.318 0.000 2.129) 3.147 12.993 ( 0.612 0.000 1.792) 1.893 13.231 ( -0.490 0.000 -0.662) 0.824 13.250 ( 0.358 0.000 -3.365) 3.384 13.374 ( -6.038 0.000 -1.767) 6.291 13.386 ( -0.204 0.000 6.507) 6.510 13.451 ( -4.122 0.000 -0.661) 4.175 13.520 ( -1.815 0.000 -0.533) 1.892 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -8.082 0.000 -3.969) 9.004 0.396 ( -10.656 0.000 -14.006) 17.599 0.710 ( -5.732 0.000 -1.370) 5.893 0.719 ( -11.140 0.000 3.471) 11.668 0.772 ( 2.174 0.000 -1.072) 2.424 0.918 ( 2.263 0.000 -0.980) 2.466 0.949 ( 2.225 0.000 -1.021) 2.448 0.990 ( -12.504 0.000 4.302) 13.223 1.083 ( -3.194 0.000 -0.140) 3.197 1.106 ( 1.816 0.000 2.169) 2.829 1.231 ( -2.503 0.000 -3.080) 3.969 1.261 ( -0.183 0.000 2.230) 2.238 1.341 ( -8.494 0.000 2.219) 8.779 1.422 ( 0.325 0.000 0.679) 0.753 1.427 ( -0.404 0.000 -0.669) 0.782 1.498 ( -5.912 0.000 0.920) 5.984 1.504 ( 1.302 0.000 0.555) 1.416 1.590 ( -1.180 0.000 -0.017) 1.180 1.625 ( -0.941 0.000 -0.666) 1.153 1.641 ( 3.149 0.000 -4.064) 5.141 1.713 ( 3.102 0.000 -0.200) 3.109 1.797 ( -3.794 0.000 2.432) 4.506 1.837 ( -1.087 0.000 -0.812) 1.357 1.899 ( -5.284 0.000 0.394) 5.298 2.000 ( 4.381 0.000 0.101) 4.382 2.023 ( 1.513 0.000 -0.929) 1.776 2.130 ( -0.897 0.000 -1.294) 1.574 2.199 ( -2.028 0.000 0.301) 2.050 2.284 ( -0.933 0.000 -1.600) 1.852 2.375 ( -0.660 0.000 1.966) 2.074 2.487 ( 3.117 0.000 -0.986) 3.269 2.568 ( 5.061 0.000 -0.810) 5.125 2.748 ( 0.828 0.000 0.499) 0.967 2.819 ( 2.514 0.000 0.198) 2.521 2.828 ( 2.601 0.000 -0.300) 2.619 2.854 ( 1.593 0.000 -0.121) 1.597 2.964 ( -1.934 0.000 -0.950) 2.155 3.071 ( 0.870 0.000 -0.186) 0.889 3.193 ( 6.798 0.000 1.088) 6.885 3.212 ( 7.829 0.000 0.078) 7.829 3.776 ( -0.517 0.000 -0.811) 0.962 3.788 ( 1.383 0.000 1.314) 1.908 4.024 ( -2.662 0.000 0.164) 2.667 4.030 ( -0.708 0.000 -0.972) 1.202 4.121 ( 1.594 0.000 1.037) 1.902 4.139 ( -1.748 0.000 -1.238) 2.142 4.298 ( -1.969 0.000 -0.375) 2.004 4.315 ( -1.373 0.000 -0.039) 1.374 4.568 ( -4.498 0.000 0.001) 4.498 4.590 ( -3.866 0.000 0.332) 3.880 4.935 ( 3.989 0.000 -0.782) 4.065 5.017 ( 4.547 0.000 0.675) 4.597 5.099 ( -2.358 0.000 0.581) 2.429 5.196 ( -0.655 0.000 -1.182) 1.352 5.589 ( -0.146 0.000 -0.203) 0.250 5.635 ( 0.839 0.000 0.070) 0.842 5.876 ( -0.123 0.000 -0.046) 0.131 5.895 ( 0.513 0.000 1.427) 1.516 6.106 ( 1.919 0.000 -0.524) 1.989 6.138 ( 2.695 0.000 0.522) 2.745 8.578 ( 1.771 0.000 -0.223) 1.785 8.629 ( 3.126 0.000 -2.177) 3.809 12.657 ( -3.249 0.000 1.002) 3.400 12.797 ( -1.692 0.000 0.303) 1.719 12.936 ( -1.508 0.000 2.412) 2.844 13.026 ( 1.284 0.000 1.110) 1.697 13.165 ( -4.930 0.000 -5.338) 7.267 13.208 ( -0.633 0.000 -1.880) 1.984 13.297 ( -0.620 0.000 -0.532) 0.817 13.362 ( -4.965 0.000 0.311) 4.975 13.476 ( -2.842 0.000 -0.263) 2.855 13.487 ( 0.653 0.000 8.633) 8.658 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.083 ( -7.193 0.000 -0.431) 7.206 0.198 ( -9.088 0.000 4.381) 10.089 0.501 ( -22.936 0.000 8.213) 24.363 0.659 ( 1.854 0.000 -0.535) 1.930 0.796 ( 1.909 0.000 -1.499) 2.427 0.849 ( -7.668 0.000 2.676) 8.121 0.923 ( -3.261 0.000 -0.215) 3.268 0.986 ( 4.615 0.000 -3.505) 5.795 0.998 ( -7.058 0.000 -0.301) 7.065 1.087 ( -6.169 0.000 -0.780) 6.218 1.136 ( 0.209 0.000 -0.230) 0.311 1.244 ( -1.721 0.000 0.310) 1.749 1.261 ( -0.986 0.000 -3.083) 3.236 1.387 ( -4.054 0.000 1.486) 4.318 1.481 ( 1.654 0.000 0.364) 1.693 1.482 ( 1.569 0.000 0.308) 1.599 1.543 ( -1.485 0.000 -2.430) 2.848 1.547 ( 0.982 0.000 0.406) 1.062 1.620 ( 2.200 0.000 0.348) 2.227 1.651 ( 4.060 0.000 -1.264) 4.252 1.759 ( 0.740 0.000 0.005) 0.740 1.787 ( -4.778 0.000 1.251) 4.939 1.798 ( 0.856 0.000 1.860) 2.048 1.840 ( -1.385 0.000 -0.842) 1.621 2.026 ( -0.917 0.000 -1.981) 2.183 2.034 ( 1.160 0.000 -1.944) 2.264 2.125 ( 0.762 0.000 0.575) 0.955 2.183 ( -0.468 0.000 -1.186) 1.275 2.283 ( 1.967 0.000 5.243) 5.600 2.374 ( -1.490 0.000 1.476) 2.097 2.530 ( 2.306 0.000 0.240) 2.318 2.635 ( 4.134 0.000 -1.062) 4.268 2.790 ( 2.741 0.000 1.211) 2.997 2.850 ( 1.068 0.000 0.106) 1.074 2.851 ( 1.099 0.000 -0.236) 1.125 2.890 ( 2.520 0.000 -0.214) 2.529 2.908 ( -3.486 0.000 -0.719) 3.559 3.047 ( -2.301 0.000 -1.910) 2.990 3.298 ( 4.273 0.000 0.132) 4.275 3.329 ( 5.632 0.000 0.020) 5.632 3.774 ( 0.555 0.000 0.144) 0.574 3.814 ( 0.472 0.000 0.052) 0.474 3.983 ( -2.070 0.000 0.334) 2.096 4.030 ( 1.008 0.000 0.864) 1.328 4.096 ( -1.799 0.000 -1.147) 2.134 4.158 ( 0.967 0.000 0.859) 1.293 4.262 ( -1.754 0.000 -0.169) 1.762 4.281 ( -2.133 0.000 -0.284) 2.152 4.508 ( -2.703 0.000 0.158) 2.707 4.533 ( -2.998 0.000 -0.658) 3.070 4.981 ( 2.449 0.000 -0.479) 2.496 5.076 ( -1.559 0.000 1.025) 1.865 5.082 ( 2.548 0.000 0.123) 2.551 5.162 ( -1.105 0.000 -1.889) 2.189 5.591 ( 0.212 0.000 0.241) 0.321 5.648 ( 0.649 0.000 -0.166) 0.670 5.873 ( -0.205 0.000 0.044) 0.210 5.919 ( 0.352 0.000 -0.356) 0.501 6.127 ( 1.302 0.000 -0.442) 1.375 6.175 ( 1.431 0.000 -0.213) 1.447 8.606 ( 1.209 0.000 0.594) 1.347 8.618 ( -0.616 0.000 -3.020) 3.083 12.620 ( -2.693 0.000 1.578) 3.121 12.773 ( -1.597 0.000 0.511) 1.677 12.943 ( -1.112 0.000 0.530) 1.232 13.032 ( -3.252 0.000 -2.053) 3.845 13.057 ( 1.336 0.000 0.093) 1.339 13.151 ( -2.485 0.000 -6.136) 6.620 13.287 ( -4.951 0.000 0.515) 4.978 13.304 ( 2.213 0.000 -1.413) 2.626 13.424 ( -2.952 0.000 -0.233) 2.961 13.576 ( -0.118 0.000 -3.455) 3.457 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -0.163 7.157 7.248) 10.187 0.331 ( -2.502 9.066 5.410) 10.850 0.609 ( -0.205 10.823 8.824) 13.966 0.662 ( -0.076 -6.563 -0.442) 6.578 0.731 ( 1.842 -4.473 -0.109) 4.839 0.791 ( 3.927 1.205 1.395) 4.338 0.873 ( 0.736 1.374 1.075) 1.894 0.907 ( -0.954 -2.076 -0.852) 2.438 1.029 ( 1.605 -1.128 -2.273) 3.003 1.056 ( -1.574 2.415 -1.593) 3.294 1.071 ( -1.047 -2.341 -1.605) 3.025 1.186 ( -1.349 0.795 -1.206) 1.977 1.228 ( 1.703 -0.531 -0.289) 1.808 1.310 ( -2.115 -1.313 0.475) 2.534 1.450 ( 1.390 -5.035 -1.285) 5.379 1.479 ( 1.662 -3.710 -2.439) 4.741 1.542 ( -1.894 1.593 0.879) 2.626 1.558 ( -0.130 1.419 -2.010) 2.463 1.615 ( 1.079 0.088 0.355) 1.139 1.674 ( -1.984 0.847 2.948) 3.653 1.720 ( 2.763 -1.143 -1.518) 3.353 1.810 ( -1.011 2.409 0.604) 2.682 1.839 ( -0.962 0.822 -0.239) 1.288 1.859 ( -0.836 0.321 0.540) 1.046 1.921 ( 1.166 -2.328 3.127) 4.070 2.035 ( 2.084 -1.542 1.543) 3.017 2.170 ( 0.015 0.477 0.737) 0.879 2.226 ( -0.904 -0.704 1.115) 1.598 2.332 ( 0.045 3.335 0.729) 3.414 2.464 ( -0.171 0.014 -3.231) 3.236 2.575 ( 0.331 1.684 0.314) 1.745 2.654 ( 0.756 -1.235 -0.893) 1.701 2.833 ( -2.224 0.839 0.119) 2.380 2.861 ( 0.213 -0.199 0.300) 0.418 2.864 ( -0.323 0.183 -0.118) 0.389 2.885 ( 1.605 0.884 0.253) 1.850 2.896 ( 0.017 -0.492 -0.594) 0.771 2.990 ( 1.810 -2.390 -0.763) 3.093 3.329 ( -0.519 0.793 0.403) 1.030 3.368 ( -0.334 -0.664 -0.278) 0.794 3.781 ( -0.020 0.273 0.292) 0.400 3.807 ( -0.235 -0.603 -0.129) 0.660 3.985 ( 0.521 1.059 0.512) 1.287 4.030 ( -1.295 -0.503 -0.336) 1.430 4.110 ( 2.094 0.835 1.004) 2.468 4.151 ( -0.644 -0.855 0.120) 1.077 4.250 ( 0.083 0.223 -0.109) 0.262 4.258 ( 0.117 -0.136 -0.239) 0.299 4.492 ( -0.081 0.112 0.321) 0.349 4.495 ( 0.045 0.195 0.071) 0.213 5.021 ( 0.652 1.459 0.054) 1.599 5.075 ( -0.672 -0.204 0.106) 0.710 5.087 ( -0.501 0.366 -0.255) 0.671 5.139 ( 1.281 -1.376 -0.065) 1.881 5.604 ( -0.068 0.674 0.314) 0.746 5.642 ( -0.225 -0.773 -0.285) 0.854 5.851 ( -1.240 0.176 0.596) 1.387 5.869 ( -0.073 -0.336 0.180) 0.388 6.146 ( 0.412 0.490 -0.083) 0.645 6.173 ( -0.121 -0.549 -0.696) 0.895 8.626 ( 0.151 0.077 1.292) 1.303 8.651 ( 2.491 -1.206 1.534) 3.165 12.630 ( -0.850 1.747 1.837) 2.674 12.732 ( -0.716 -2.301 0.603) 2.484 12.911 ( -1.237 1.091 -4.083) 4.404 12.920 ( -0.895 0.375 -2.274) 2.472 13.069 ( 2.335 0.686 1.941) 3.113 13.085 ( 0.414 0.439 1.118) 1.270 13.219 ( -0.543 -0.144 0.346) 0.660 13.278 ( 0.407 -2.515 0.304) 2.565 13.386 ( -1.621 2.049 -0.185) 2.619 13.445 ( -1.948 0.885 -2.651) 3.406 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 6.149 1.847 5.114) 8.209 0.505 ( 7.274 3.280 6.443) 10.255 0.581 ( -0.018 -5.361 0.355) 5.373 0.751 ( 0.544 -2.948 1.185) 3.223 0.810 ( 3.951 -0.520 0.481) 4.014 0.873 ( 3.743 0.216 -0.300) 3.761 0.931 ( 4.524 1.933 5.546) 7.413 0.976 ( 0.392 -1.377 -2.069) 2.516 1.010 ( 4.370 -0.570 -1.234) 4.576 1.043 ( 6.077 3.116 -0.539) 6.850 1.065 ( 0.923 1.438 -1.321) 2.160 1.189 ( 3.435 0.438 -0.919) 3.583 1.255 ( 1.850 -0.861 -0.717) 2.163 1.313 ( 2.767 -1.480 0.158) 3.142 1.443 ( 1.020 -4.716 -3.485) 5.952 1.446 ( -2.869 -3.704 -0.500) 4.712 1.527 ( -1.665 1.398 0.694) 2.283 1.547 ( 2.324 0.614 -1.366) 2.765 1.633 ( 0.367 2.994 1.537) 3.385 1.697 ( 0.033 0.253 1.987) 2.003 1.740 ( 1.729 -0.056 -1.674) 2.407 1.793 ( -1.577 3.113 0.590) 3.539 1.814 ( -0.173 0.836 -1.542) 1.762 1.845 ( -1.450 0.396 0.700) 1.658 1.989 ( 1.062 -0.518 2.396) 2.671 2.063 ( -0.092 -0.788 0.055) 0.796 2.173 ( -0.054 -1.669 0.872) 1.884 2.194 ( -2.316 -0.739 -0.020) 2.432 2.342 ( -0.810 1.607 1.367) 2.260 2.409 ( -1.802 0.840 -0.621) 2.083 2.568 ( -1.676 1.262 0.332) 2.125 2.627 ( -2.534 -1.045 -0.896) 2.884 2.785 ( -2.644 0.891 0.435) 2.824 2.848 ( -1.730 -0.614 -0.196) 1.846 2.854 ( -1.800 -0.792 -0.501) 2.029 2.865 ( -0.754 -0.803 0.379) 1.165 2.953 ( 3.408 1.027 0.536) 3.600 3.016 ( 2.260 -1.486 -1.761) 3.227 3.287 ( -5.151 0.542 0.457) 5.199 3.313 ( -5.442 -0.447 -0.286) 5.468 3.784 ( 0.119 0.279 0.346) 0.460 3.793 ( -1.488 0.030 -0.457) 1.557 4.015 ( 1.776 0.217 0.770) 1.948 4.020 ( 0.953 -0.020 0.105) 0.959 4.135 ( -1.130 0.458 -0.287) 1.253 4.160 ( 1.520 -0.188 0.990) 1.824 4.269 ( 2.379 0.151 -0.005) 2.384 4.276 ( 2.206 -0.111 -0.375) 2.241 4.514 ( 2.448 -0.015 0.193) 2.456 4.518 ( 2.313 -0.041 0.101) 2.315 5.016 ( -1.858 0.737 0.578) 2.080 5.041 ( -2.668 -0.267 -0.980) 2.855 5.092 ( 0.910 1.155 0.473) 1.545 5.165 ( 1.766 -1.629 -0.371) 2.431 5.606 ( -0.146 0.355 0.418) 0.567 5.631 ( -0.504 -0.581 -0.424) 0.878 5.852 ( 0.241 0.422 0.328) 0.586 5.872 ( 0.140 -0.340 0.176) 0.408 6.142 ( -0.859 0.110 0.070) 0.869 6.148 ( -1.669 -0.096 -0.994) 1.945 8.632 ( -1.257 0.273 1.293) 1.824 8.678 ( -0.870 -1.933 0.238) 2.133 12.659 ( 1.286 1.558 2.192) 2.981 12.748 ( 1.460 -1.836 0.538) 2.407 12.871 ( 1.216 1.326 -2.395) 2.995 12.928 ( 3.436 -0.943 -4.148) 5.468 13.115 ( 3.161 0.655 0.110) 3.230 13.159 ( 4.893 -0.918 0.507) 5.005 13.227 ( 1.052 0.952 0.808) 1.633 13.291 ( 0.820 -1.779 0.757) 2.100 13.373 ( 0.479 1.994 -0.068) 2.051 13.422 ( 1.731 0.318 -1.152) 2.104 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 3.244 -2.690 1.683) 4.538 0.597 ( 7.300 -3.724 -1.407) 8.315 0.703 ( 4.187 0.243 1.281) 4.385 0.778 ( 3.462 -1.916 2.988) 4.958 0.840 ( 0.478 0.047 -0.057) 0.483 0.918 ( 2.959 -1.447 -2.202) 3.962 0.945 ( 0.146 -1.252 -0.692) 1.438 1.004 ( 0.177 -0.426 -1.123) 1.215 1.044 ( -0.938 1.144 0.434) 1.542 1.088 ( 4.662 -0.805 0.893) 4.814 1.183 ( 5.204 3.572 1.634) 6.520 1.271 ( 0.798 -1.317 -0.452) 1.604 1.288 ( 5.859 0.761 -0.712) 5.951 1.356 ( 0.728 -0.736 -0.064) 1.037 1.418 ( 2.685 -1.260 0.262) 2.977 1.450 ( 3.529 -0.291 -2.496) 4.332 1.515 ( -0.339 -0.791 0.845) 1.206 1.581 ( 3.189 -3.024 -1.274) 4.575 1.659 ( -1.007 4.997 3.203) 6.020 1.711 ( -2.117 2.401 -1.974) 3.761 1.730 ( 3.242 1.300 0.188) 3.498 1.794 ( -0.682 -0.498 -1.173) 1.445 1.798 ( 2.437 -0.912 1.119) 2.832 1.865 ( 3.397 1.350 0.456) 3.683 1.957 ( -3.928 2.320 -1.697) 4.868 2.069 ( 0.226 -2.018 0.547) 2.103 2.185 ( 0.442 -0.746 0.872) 1.230 2.199 ( 1.878 -1.642 0.712) 2.594 2.333 ( -1.335 1.100 0.454) 1.789 2.399 ( -0.187 0.184 1.250) 1.277 2.532 ( -2.848 0.779 0.080) 2.954 2.563 ( -3.669 -0.441 -0.720) 3.765 2.765 ( -0.829 0.066 0.880) 1.211 2.805 ( -2.498 -1.113 -0.436) 2.769 2.817 ( -2.574 0.338 -0.278) 2.611 2.844 ( -1.936 -0.811 -0.287) 2.118 3.001 ( 1.530 0.376 0.412) 1.628 3.016 ( 0.028 -0.164 -1.741) 1.749 3.185 ( -7.236 0.376 0.413) 7.257 3.204 ( -7.061 -0.350 0.051) 7.069 3.755 ( -1.794 1.257 -0.550) 2.259 3.796 ( 0.901 -0.253 0.238) 0.965 4.038 ( -0.000 0.113 0.406) 0.421 4.059 ( 2.621 -0.471 0.314) 2.682 4.122 ( 0.363 1.506 -0.076) 1.551 4.185 ( 0.675 -0.885 0.633) 1.281 4.304 ( 1.531 0.117 -0.471) 1.606 4.309 ( 1.951 -0.074 -0.040) 1.953 4.569 ( 4.067 -0.035 -0.194) 4.072 4.574 ( 4.139 -0.178 0.273) 4.152 4.967 ( -4.216 0.083 -0.759) 4.284 4.978 ( -4.225 -0.068 0.585) 4.266 5.122 ( 1.886 1.208 0.478) 2.290 5.186 ( 1.530 -1.234 -0.540) 2.039 5.609 ( -0.038 0.072 0.389) 0.397 5.618 ( -0.355 -0.258 -0.349) 0.561 5.858 ( 0.129 0.307 0.134) 0.359 5.875 ( -0.075 -0.302 0.094) 0.325 6.099 ( -2.646 0.408 -0.932) 2.835 6.120 ( -1.917 -0.374 0.062) 1.954 8.617 ( -1.969 0.180 0.828) 2.143 8.643 ( -2.831 -0.877 -0.152) 2.968 12.713 ( 1.584 1.272 2.507) 3.227 12.781 ( 1.572 -1.298 0.405) 2.078 12.882 ( 2.242 0.855 -0.847) 2.545 12.920 ( 1.230 -0.617 -3.082) 3.375 13.169 ( 3.544 0.106 -1.073) 3.705 13.204 ( 1.732 -1.240 -0.831) 2.287 13.284 ( 4.177 1.730 -0.757) 4.584 13.343 ( 3.851 -0.121 2.039) 4.359 13.406 ( 3.114 0.542 0.614) 3.220 13.458 ( 3.261 -1.199 -0.503) 3.511 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 5.206 -1.204 0.340) 5.354 0.651 ( 1.342 -2.591 -1.260) 3.178 0.789 ( 2.287 -0.487 -0.079) 2.340 0.821 ( 1.430 1.601 -2.482) 3.282 0.854 ( 2.384 2.483 -3.094) 4.628 0.914 ( 2.888 -4.812 0.161) 5.615 0.954 ( 0.521 -0.204 -1.002) 1.148 1.026 ( 3.205 -1.173 0.219) 3.420 1.073 ( 1.531 -0.168 4.495) 4.751 1.136 ( 1.482 -1.225 -0.531) 1.995 1.230 ( 0.300 -0.102 -1.819) 1.847 1.290 ( 1.178 -1.700 1.339) 2.464 1.300 ( -1.039 -1.942 -0.594) 2.281 1.357 ( -2.022 -2.963 1.722) 3.979 1.445 ( -1.497 2.421 0.172) 2.852 1.512 ( 2.413 1.292 0.677) 2.820 1.522 ( 3.022 0.920 -1.952) 3.714 1.599 ( 0.691 1.381 -0.097) 1.547 1.661 ( -0.494 1.919 -1.028) 2.232 1.690 ( -0.489 1.338 2.332) 2.732 1.756 ( -1.212 -1.751 -0.565) 2.204 1.776 ( -0.635 0.536 0.182) 0.850 1.873 ( -0.765 2.452 0.018) 2.569 1.941 ( 9.314 1.029 0.607) 9.390 1.961 ( 5.975 1.214 -0.454) 6.114 2.066 ( 0.726 -3.380 -1.255) 3.677 2.224 ( 4.106 0.344 0.330) 4.133 2.244 ( 3.204 -0.293 -0.464) 3.251 2.318 ( -0.751 1.271 0.167) 1.486 2.425 ( 0.945 -1.767 1.580) 2.552 2.480 ( -2.905 0.605 -0.253) 2.978 2.505 ( -2.328 0.243 -0.522) 2.398 2.746 ( -4.807 -0.089 0.023) 4.808 2.746 ( -4.641 -0.320 0.150) 4.654 2.790 ( 1.071 -0.188 0.439) 1.172 2.807 ( -0.670 -0.734 -1.034) 1.434 2.970 ( -3.690 0.746 -0.976) 3.889 3.002 ( -2.397 -0.553 0.174) 2.466 3.086 ( -4.384 0.389 0.189) 4.406 3.103 ( -4.672 -0.282 0.310) 4.691 3.734 ( -0.205 1.968 -0.104) 1.982 3.814 ( 0.963 -0.994 -0.031) 1.385 4.032 ( -0.538 1.608 -0.112) 1.700 4.099 ( 1.793 -1.037 0.130) 2.075 4.141 ( 1.368 1.076 0.203) 1.752 4.195 ( -0.136 -1.063 -0.199) 1.090 4.317 ( 0.828 0.194 -0.293) 0.900 4.331 ( 1.230 -0.350 -0.168) 1.290 4.638 ( 4.058 0.255 0.092) 4.067 4.652 ( 4.726 -0.297 0.240) 4.741 4.881 ( -4.650 0.333 -0.735) 4.719 4.907 ( -5.356 -0.538 0.718) 5.431 5.156 ( 1.449 0.888 0.359) 1.737 5.201 ( 0.917 -0.792 -0.493) 1.308 5.614 ( 0.293 -0.063 0.043) 0.303 5.615 ( 0.275 -0.057 0.003) 0.281 5.860 ( -0.125 0.236 0.108) 0.288 5.870 ( -0.589 -0.109 0.001) 0.599 6.049 ( -2.268 0.652 -0.354) 2.387 6.086 ( -2.080 -0.728 0.042) 2.205 8.591 ( -1.808 -0.093 0.104) 1.813 8.595 ( -2.378 -0.178 -0.231) 2.396 12.754 ( 0.066 0.955 1.736) 1.982 12.803 ( 0.902 -0.902 -0.019) 1.276 12.913 ( 1.207 0.029 -0.220) 1.227 12.915 ( 1.296 0.005 0.253) 1.321 13.206 ( 2.269 -0.100 -0.407) 2.308 13.223 ( 1.370 -0.807 -0.249) 1.610 13.327 ( 2.761 3.322 -1.357) 4.528 13.434 ( 4.013 0.281 1.069) 4.163 13.473 ( 4.075 -0.997 -0.192) 4.200 13.507 ( 3.088 -2.068 -0.433) 3.741 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -1.234 0.222 -1.913) 2.287 0.658 ( 3.494 -1.770 0.362) 3.934 0.761 ( 1.381 2.116 -4.960) 5.566 0.786 ( 1.073 1.014 -0.405) 1.531 0.898 ( 1.078 -0.568 -0.726) 1.419 0.964 ( 2.582 -0.232 -0.161) 2.598 0.999 ( 3.215 -1.247 2.163) 4.070 1.074 ( 1.681 -1.272 -0.131) 2.112 1.126 ( -0.436 -0.527 -0.523) 0.861 1.162 ( 0.447 -0.049 1.987) 2.038 1.187 ( -0.859 -4.744 -1.840) 5.160 1.260 ( -1.976 -1.997 -1.285) 3.089 1.318 ( -0.939 -3.316 0.386) 3.468 1.338 ( 0.038 -3.567 2.429) 4.316 1.427 ( -1.501 1.648 1.430) 2.648 1.503 ( 0.588 1.598 -2.211) 2.791 1.553 ( -0.796 1.726 1.713) 2.559 1.627 ( 0.503 2.151 0.873) 2.375 1.661 ( -1.737 3.187 1.646) 3.986 1.699 ( 2.096 2.329 -2.019) 3.728 1.723 ( 0.409 2.408 -0.294) 2.460 1.760 ( 0.118 -0.356 0.538) 0.656 1.907 ( -0.935 -0.678 0.780) 1.394 1.942 ( -0.253 -0.923 -0.279) 0.997 2.079 ( 1.874 -1.717 -1.625) 3.017 2.096 ( 3.566 -1.327 0.139) 3.807 2.287 ( 2.706 0.861 -0.785) 2.946 2.312 ( 1.921 1.625 0.221) 2.525 2.332 ( 3.503 0.573 -0.661) 3.611 2.437 ( 0.552 -0.531 -0.400) 0.865 2.459 ( 0.474 0.681 -1.057) 1.344 2.492 ( 1.628 -1.493 0.606) 2.291 2.638 ( -6.974 0.108 -0.192) 6.977 2.652 ( -5.394 -0.157 0.013) 5.396 2.817 ( 2.769 -0.073 -0.162) 2.775 2.833 ( 2.507 -0.668 0.594) 2.662 2.896 ( -3.508 0.775 -0.043) 3.592 2.935 ( -4.357 -0.914 -0.124) 4.454 3.048 ( -0.966 0.627 0.143) 1.160 3.064 ( -0.981 -0.094 0.126) 0.993 3.740 ( 0.391 2.002 0.459) 2.091 3.825 ( 0.500 -1.166 -0.328) 1.310 4.025 ( -0.079 2.132 -0.044) 2.134 4.120 ( 0.573 -1.703 -0.252) 1.814 4.161 ( 1.054 0.398 -0.244) 1.153 4.172 ( -1.318 -0.280 -1.119) 1.751 4.330 ( 0.730 0.315 0.154) 0.810 4.351 ( 0.986 -0.448 -0.011) 1.083 4.694 ( 1.756 0.747 0.602) 2.001 4.727 ( 3.859 -0.443 0.055) 3.885 4.815 ( -1.866 -0.007 -0.360) 1.900 4.826 ( -4.959 -0.413 0.427) 4.994 5.173 ( 0.265 0.687 0.104) 0.744 5.206 ( 0.380 -0.540 -0.408) 0.776 5.620 ( 0.223 -0.063 -0.056) 0.238 5.621 ( 0.312 -0.070 -0.005) 0.320 5.859 ( -0.093 0.124 0.166) 0.227 5.861 ( -0.332 0.097 0.114) 0.364 6.023 ( -0.683 0.578 0.337) 0.956 6.059 ( -0.964 -0.735 0.019) 1.212 8.562 ( -0.868 0.024 -0.465) 0.985 8.568 ( -0.862 -0.200 -0.494) 1.013 12.757 ( -0.957 1.092 0.492) 1.533 12.813 ( 0.336 -1.027 -0.083) 1.083 12.936 ( 0.622 0.114 1.646) 1.763 12.940 ( 0.162 -0.098 1.440) 1.452 13.233 ( 0.995 -0.166 -0.084) 1.012 13.244 ( 0.840 -0.795 0.873) 1.450 13.345 ( 1.434 3.916 -1.256) 4.355 13.485 ( 1.226 0.257 0.029) 1.253 13.516 ( 1.948 -1.890 -1.311) 3.014 13.539 ( 1.306 -1.785 -0.763) 2.340 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -2.213 1.547 -2.431) 3.633 0.685 ( 0.411 -2.826 0.633) 2.925 0.763 ( 2.268 -1.648 -1.349) 3.111 0.814 ( 0.916 -1.213 -1.521) 2.150 0.916 ( 2.151 2.184 0.242) 3.075 0.967 ( -3.106 2.861 -1.751) 4.571 0.986 ( -4.431 -0.540 -2.608) 5.169 1.064 ( -1.083 0.951 -1.384) 1.998 1.091 ( -2.539 -3.797 3.003) 5.467 1.160 ( -0.351 -5.207 0.740) 5.271 1.195 ( 1.126 -1.441 -1.810) 2.573 1.240 ( 1.016 -0.724 -0.466) 1.332 1.315 ( -0.364 -0.915 1.008) 1.409 1.389 ( 1.655 -2.699 2.580) 4.084 1.433 ( -0.092 1.826 1.757) 2.536 1.503 ( 2.504 -0.269 -1.484) 2.923 1.553 ( -0.726 1.744 0.986) 2.131 1.601 ( -2.692 2.028 0.615) 3.426 1.661 ( -1.090 3.279 1.651) 3.830 1.710 ( 1.805 0.653 -0.579) 2.005 1.773 ( 0.980 -2.283 1.140) 2.734 1.791 ( 0.126 1.217 0.686) 1.403 1.826 ( -0.041 3.022 -2.023) 3.637 1.997 ( 1.327 -2.623 1.666) 3.378 2.047 ( -2.781 -1.115 -2.501) 3.902 2.074 ( -5.278 -0.790 -0.807) 5.398 2.285 ( -2.017 0.350 -0.774) 2.189 2.303 ( -3.455 0.024 -1.785) 3.889 2.334 ( -0.586 1.698 1.088) 2.099 2.409 ( -2.145 -0.940 -1.459) 2.759 2.458 ( -2.120 0.461 -0.556) 2.240 2.476 ( -1.093 0.303 -0.245) 1.161 2.646 ( 6.786 -0.401 0.062) 6.798 2.655 ( 5.818 -0.349 -0.002) 5.829 2.828 ( -3.312 0.088 0.166) 3.317 2.842 ( -1.672 -0.389 0.697) 1.853 2.908 ( 5.248 0.270 0.472) 5.276 2.929 ( 3.966 -0.658 -0.308) 4.032 3.052 ( 1.124 0.788 0.273) 1.400 3.063 ( 0.829 0.336 0.022) 0.894 3.751 ( -0.095 1.657 0.912) 1.894 3.820 ( -0.425 -0.958 -0.615) 1.215 4.031 ( 0.477 1.481 0.406) 1.608 4.101 ( -1.314 -1.379 -1.364) 2.343 4.143 ( -0.872 0.641 -0.807) 1.350 4.174 ( 1.014 -0.425 -0.790) 1.354 4.337 ( -0.334 0.362 0.384) 0.625 4.354 ( -0.692 -0.232 0.019) 0.731 4.693 ( -2.273 0.666 0.507) 2.422 4.727 ( -4.367 -0.618 0.154) 4.413 4.811 ( 3.703 0.384 -0.286) 3.734 4.833 ( 3.550 -0.489 0.480) 3.615 5.169 ( -0.788 0.846 -0.028) 1.157 5.206 ( 0.238 -0.585 -0.390) 0.742 5.616 ( -0.496 0.028 -0.158) 0.521 5.622 ( -0.184 -0.131 -0.016) 0.226 5.862 ( 0.189 -0.021 0.279) 0.337 5.865 ( 0.429 -0.065 0.214) 0.483 6.036 ( 1.343 0.396 0.796) 1.610 6.058 ( 0.812 -0.409 -0.092) 0.914 8.555 ( 0.347 -0.080 -0.894) 0.963 8.557 ( 1.102 -0.180 -0.596) 1.266 12.741 ( -1.438 1.471 0.258) 2.073 12.812 ( -0.285 -1.191 -0.064) 1.226 12.955 ( -0.839 0.367 1.966) 2.169 12.966 ( 0.178 0.051 2.265) 2.273 13.236 ( -0.137 -0.203 -0.305) 0.391 13.260 ( -0.444 -1.108 0.663) 1.365 13.354 ( 0.633 2.977 0.312) 3.060 13.463 ( -2.646 -0.798 -1.918) 3.364 13.511 ( -1.366 -0.588 -0.769) 1.674 13.530 ( -0.716 -1.570 -0.720) 1.870 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -4.532 0.810 -2.436) 5.209 0.702 ( -0.604 -5.231 0.967) 5.353 0.713 ( -5.574 0.042 -6.790) 8.785 0.777 ( -1.103 -2.325 -0.192) 2.581 0.828 ( -5.969 1.952 -1.987) 6.587 0.925 ( -1.013 0.946 -1.522) 2.059 0.972 ( 1.936 3.229 0.642) 3.820 1.033 ( 0.207 0.190 -0.571) 0.637 1.076 ( -3.447 -3.566 2.524) 5.565 1.139 ( -3.925 -1.181 0.899) 4.196 1.202 ( 0.710 -2.118 -0.001) 2.234 1.275 ( 4.092 -1.280 -0.506) 4.318 1.306 ( -2.051 2.075 0.969) 3.074 1.430 ( 0.389 -0.132 0.328) 0.526 1.465 ( 0.248 -1.153 2.406) 2.680 1.525 ( -0.640 -1.984 0.834) 2.246 1.548 ( -2.886 0.943 0.335) 3.055 1.592 ( 3.279 1.330 -1.113) 3.709 1.635 ( -4.920 2.849 0.937) 5.762 1.701 ( -1.589 -0.212 -0.802) 1.793 1.736 ( -1.071 2.879 -0.739) 3.160 1.815 ( 0.827 -1.479 1.412) 2.206 1.872 ( -2.782 -2.009 0.384) 3.453 1.926 ( -2.602 2.603 0.050) 3.681 1.962 ( -5.829 -3.251 -0.545) 6.696 2.013 ( 1.083 -1.314 -2.932) 3.391 2.191 ( -4.681 0.643 -0.991) 4.828 2.233 ( -3.783 -1.230 -0.693) 4.038 2.336 ( -0.357 1.345 0.713) 1.563 2.382 ( -0.134 1.234 0.122) 1.247 2.461 ( 2.902 0.589 -0.960) 3.113 2.491 ( 3.422 -0.206 -0.639) 3.488 2.741 ( 2.705 -0.539 -0.029) 2.758 2.753 ( 5.074 -0.362 0.267) 5.094 2.791 ( 0.371 1.052 -0.026) 1.115 2.830 ( -0.309 -1.018 0.140) 1.073 2.985 ( 2.055 0.122 -0.578) 2.138 3.005 ( 4.659 -0.895 0.419) 4.763 3.093 ( 4.212 0.910 0.508) 4.339 3.109 ( 4.730 0.669 0.369) 4.791 3.764 ( 0.412 1.002 1.181) 1.603 3.800 ( -0.855 -0.417 -0.841) 1.269 4.043 ( -0.243 0.299 0.755) 0.847 4.063 ( -1.044 -0.311 -1.488) 1.844 4.119 ( -0.699 1.044 -0.525) 1.362 4.167 ( -0.548 -0.791 -1.085) 1.450 4.330 ( -0.909 0.186 0.116) 0.935 4.334 ( -1.324 0.144 -0.072) 1.334 4.646 ( -4.094 0.020 0.312) 4.106 4.650 ( -4.714 0.001 0.225) 4.719 4.879 ( 4.747 0.676 -0.553) 4.827 4.916 ( 5.092 -0.774 0.736) 5.202 5.148 ( -1.813 1.226 0.089) 2.191 5.201 ( -0.300 -0.891 -0.499) 1.064 5.604 ( -0.591 0.286 -0.226) 0.695 5.621 ( 0.164 -0.304 0.091) 0.357 5.870 ( 0.200 -0.242 0.411) 0.517 5.874 ( 0.278 -0.236 0.211) 0.421 6.080 ( 2.186 0.020 0.019) 2.186 6.081 ( 2.513 0.000 0.499) 2.562 8.560 ( 1.425 0.170 -0.813) 1.649 8.581 ( 2.568 -0.729 -0.791) 2.784 12.715 ( -2.295 1.808 0.499) 2.964 12.802 ( -0.996 -1.383 0.065) 1.706 12.958 ( -1.753 1.291 2.286) 3.157 12.996 ( 0.441 0.022 2.028) 2.076 13.224 ( -0.475 -0.454 -1.061) 1.248 13.243 ( -0.936 -0.721 -1.366) 1.806 13.364 ( -5.703 -0.715 -2.167) 6.143 13.369 ( -1.884 -1.289 2.425) 3.331 13.460 ( -3.101 0.892 0.327) 3.243 13.509 ( -1.516 -0.990 0.088) 1.813 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -8.666 3.574 -3.013) 9.847 0.509 ( -8.264 5.344 -6.660) 11.883 0.666 ( -5.804 -2.626 1.421) 6.527 0.739 ( -2.876 -1.717 -0.876) 3.462 0.764 ( 1.201 0.173 -0.679) 1.391 0.890 ( -2.369 -3.073 -1.683) 4.229 0.989 ( 0.721 3.121 -0.965) 3.345 1.020 ( -7.766 1.927 0.324) 8.009 1.055 ( -0.372 -0.337 2.722) 2.768 1.103 ( -1.831 -0.031 4.028) 4.425 1.192 ( -0.343 -2.644 -2.498) 3.654 1.257 ( -4.209 -0.071 0.433) 4.231 1.361 ( -5.328 -2.411 -1.225) 5.975 1.366 ( 1.035 -1.166 1.787) 2.372 1.440 ( -7.614 -1.710 1.461) 7.940 1.477 ( -0.273 1.947 -1.256) 2.333 1.521 ( -0.953 0.423 0.059) 1.044 1.571 ( -1.089 1.460 0.950) 2.054 1.626 ( 2.025 -1.217 -2.547) 3.474 1.692 ( 0.121 -0.532 -1.026) 1.162 1.724 ( 1.824 4.913 -0.345) 5.252 1.763 ( -5.254 -2.497 1.921) 6.126 1.864 ( 0.369 -0.334 0.620) 0.795 1.874 ( -2.809 -3.503 0.421) 4.509 1.929 ( 0.076 -0.780 -2.330) 2.459 2.028 ( 2.126 -1.587 -1.134) 2.885 2.140 ( -0.711 0.885 -0.427) 1.212 2.181 ( -1.625 -1.063 0.665) 2.053 2.333 ( -0.293 3.718 -0.190) 3.735 2.399 ( 1.098 1.201 1.116) 1.973 2.504 ( 3.510 1.439 -0.864) 3.891 2.559 ( 4.989 -0.872 -0.626) 5.103 2.758 ( 1.135 0.993 0.448) 1.573 2.818 ( 2.630 -0.402 0.214) 2.669 2.828 ( 2.429 -0.033 -0.217) 2.439 2.836 ( 1.137 -1.297 -0.043) 1.725 2.977 ( -1.533 1.181 -0.824) 2.103 3.048 ( 0.540 -1.854 -0.313) 1.956 3.199 ( 6.481 0.600 0.941) 6.576 3.217 ( 7.124 0.175 0.363) 7.136 3.778 ( -0.390 0.288 -0.686) 0.840 3.791 ( 1.140 0.066 0.890) 1.448 4.026 ( -2.199 0.236 0.144) 2.217 4.034 ( -0.936 0.156 -0.547) 1.095 4.124 ( 1.145 0.297 0.519) 1.291 4.138 ( -0.933 -0.144 -1.270) 1.582 4.303 ( -1.908 0.389 -0.268) 1.966 4.314 ( -1.541 -0.064 -0.064) 1.544 4.570 ( -4.516 0.186 0.067) 4.520 4.583 ( -4.307 -0.477 0.281) 4.343 4.947 ( 4.106 1.122 -0.548) 4.291 5.004 ( 4.445 -1.127 0.502) 4.613 5.116 ( -2.105 1.442 0.335) 2.573 5.182 ( -1.106 -1.239 -0.889) 1.884 5.596 ( -0.029 0.664 -0.057) 0.667 5.630 ( 0.723 -0.530 0.129) 0.906 5.873 ( -0.183 -0.293 0.083) 0.355 5.881 ( -0.223 -0.855 0.838) 1.218 6.110 ( 2.013 0.393 -0.437) 2.097 6.133 ( 2.580 -0.479 0.333) 2.645 8.580 ( 1.742 0.239 -0.262) 1.777 8.612 ( 2.274 -1.254 -1.468) 2.983 12.678 ( -3.095 2.033 0.879) 3.806 12.781 ( -1.794 -1.639 0.334) 2.453 12.956 ( -1.572 1.850 2.314) 3.354 13.026 ( 0.736 -0.341 1.389) 1.609 13.166 ( -4.172 0.208 -4.577) 6.197 13.198 ( -1.513 -0.895 -2.285) 2.883 13.270 ( -2.539 -1.797 0.188) 3.117 13.321 ( -5.875 -3.844 1.388) 7.156 13.448 ( -2.029 0.330 2.279) 3.070 13.495 ( -0.637 -0.603 1.838) 2.036 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 0.648 11.878 4.392) 12.680 0.303 ( -9.492 8.610 -0.225) 12.817 0.623 ( -2.195 1.162 2.529) 3.544 0.661 ( -7.376 5.866 1.047) 9.482 0.755 ( -2.697 -4.623 -1.222) 5.490 0.837 ( -2.139 -0.923 1.763) 2.921 0.858 ( -5.984 -2.777 -1.197) 6.704 1.002 ( -0.461 0.796 -2.915) 3.056 1.028 ( -5.085 1.913 0.001) 5.433 1.096 ( -3.677 -1.543 -0.239) 3.995 1.116 ( -1.928 0.228 0.916) 2.146 1.214 ( 0.566 -1.258 -0.817) 1.603 1.260 ( -4.219 -1.400 -2.173) 4.948 1.338 ( -3.711 -1.696 2.672) 4.877 1.440 ( 1.469 -4.915 -0.226) 5.134 1.468 ( 1.867 -1.043 -2.315) 3.152 1.536 ( 1.465 2.602 1.283) 3.250 1.570 ( -0.159 1.532 -0.359) 1.581 1.610 ( 0.046 -1.307 -1.799) 2.224 1.690 ( 1.208 0.881 -0.442) 1.559 1.706 ( -3.125 -2.524 0.730) 4.083 1.777 ( 2.580 2.566 1.143) 3.814 1.848 ( -0.893 0.943 0.647) 1.451 1.888 ( -1.999 -3.034 -0.639) 3.689 1.894 ( 0.373 -1.506 1.468) 2.136 2.011 ( -0.945 -2.537 -1.100) 2.923 2.150 ( 1.133 1.516 0.587) 1.981 2.198 ( 0.595 -0.846 2.381) 2.596 2.330 ( 0.482 5.358 -0.649) 5.419 2.443 ( 3.593 1.797 -0.374) 4.035 2.550 ( 2.557 1.746 -0.101) 3.098 2.625 ( 3.751 -1.087 -0.831) 3.993 2.800 ( 2.820 1.000 0.896) 3.124 2.848 ( 1.143 -0.319 -0.090) 1.190 2.851 ( 1.184 0.094 0.038) 1.189 2.874 ( 2.654 -1.251 0.073) 2.935 2.925 ( -3.330 1.577 -0.750) 3.760 3.021 ( -2.439 -2.221 -1.215) 3.515 3.298 ( 3.872 0.401 0.472) 3.921 3.327 ( 5.191 -0.409 0.045) 5.208 3.775 ( 0.397 0.401 -0.051) 0.566 3.810 ( 0.248 -0.650 0.080) 0.701 3.992 ( -1.663 0.823 0.123) 1.859 4.029 ( 0.287 -0.423 0.714) 0.878 4.110 ( -0.985 0.979 -1.069) 1.752 4.151 ( 0.634 -0.729 0.620) 1.148 4.267 ( -1.908 0.358 -0.141) 1.947 4.280 ( -2.139 -0.189 -0.246) 2.162 4.510 ( -2.650 0.176 0.138) 2.659 4.522 ( -2.972 -0.567 -0.035) 3.026 4.997 ( 2.531 1.443 -0.368) 2.937 5.065 ( 2.241 -1.178 0.188) 2.539 5.093 ( -1.075 1.130 0.468) 1.629 5.148 ( -1.295 -1.145 -1.072) 2.033 5.600 ( 0.188 0.805 0.211) 0.853 5.642 ( 0.475 -0.716 -0.038) 0.860 5.869 ( -0.414 -0.409 0.151) 0.601 5.878 ( -1.529 -1.558 0.596) 2.263 6.133 ( 1.366 0.597 -0.373) 1.537 6.168 ( 1.421 -0.702 -0.240) 1.603 8.606 ( 0.913 0.081 0.393) 0.997 8.616 ( 0.697 -0.231 -0.750) 1.049 12.642 ( -2.685 2.005 1.394) 3.630 12.754 ( -2.038 -2.105 0.468) 2.967 12.953 ( -1.603 1.027 0.153) 1.910 13.037 ( -1.985 -2.036 -1.632) 3.279 13.051 ( -2.096 1.201 -1.118) 2.662 13.112 ( -4.748 -1.873 -2.699) 5.774 13.239 ( -3.191 -2.309 1.217) 4.122 13.270 ( -0.358 -2.093 0.261) 2.139 13.421 ( -2.611 1.173 0.527) 2.910 13.507 ( -1.324 -2.725 -0.106) 3.032 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -1.993 -9.722 1.801) 10.086 0.466 ( -1.993 9.722 1.801) 10.086 0.558 ( 1.952 -10.581 1.108) 10.816 0.558 ( 1.952 10.581 1.108) 10.816 0.771 ( -1.204 -3.975 -1.353) 4.368 0.771 ( -1.204 3.975 -1.353) 4.368 0.908 ( 4.374 -2.637 0.349) 5.120 0.908 ( 4.374 2.637 0.349) 5.120 1.015 ( -1.224 -1.969 1.727) 2.891 1.015 ( -1.224 1.969 1.727) 2.891 1.126 ( -2.201 -3.926 0.272) 4.509 1.126 ( -2.201 3.926 0.272) 4.509 1.293 ( 1.656 -2.802 -2.500) 4.104 1.293 ( 1.656 2.802 -2.500) 4.104 1.386 ( -0.774 -1.887 -0.712) 2.160 1.386 ( -0.774 1.887 -0.712) 2.160 1.571 ( -0.181 -0.363 -1.407) 1.465 1.571 ( -0.181 0.363 -1.407) 1.465 1.655 ( 2.065 -3.359 -0.398) 3.963 1.655 ( 2.065 3.359 -0.398) 3.963 1.751 ( -1.291 -5.176 3.261) 6.253 1.751 ( -1.291 5.176 3.261) 6.253 1.856 ( -0.417 -1.205 1.021) 1.634 1.856 ( -0.417 1.205 1.021) 1.634 1.979 ( 1.390 -3.916 2.360) 4.779 1.979 ( 1.390 3.916 2.360) 4.779 2.185 ( -0.812 -1.482 0.457) 1.751 2.185 ( -0.812 1.482 0.457) 1.751 2.425 ( -0.245 -3.703 -2.005) 4.218 2.425 ( -0.245 3.703 -2.005) 4.218 2.617 ( 0.592 -2.178 -0.348) 2.284 2.617 ( 0.592 2.178 -0.348) 2.284 2.852 ( -0.605 -0.789 0.212) 1.016 2.852 ( -0.605 0.789 0.212) 1.016 2.872 ( -0.966 -0.685 -0.711) 1.381 2.872 ( -0.966 0.685 -0.711) 1.381 2.935 ( 1.784 -2.771 -0.045) 3.297 2.935 ( 1.784 2.771 -0.045) 3.297 3.350 ( -0.429 -1.057 0.079) 1.144 3.350 ( -0.429 1.057 0.079) 1.144 3.792 ( -0.082 -0.750 0.156) 0.770 3.792 ( -0.082 0.750 0.156) 0.770 4.011 ( -0.000 -1.264 0.206) 1.281 4.011 ( -0.000 1.264 0.206) 1.281 4.130 ( 0.376 -1.123 0.444) 1.265 4.130 ( 0.376 1.123 0.444) 1.265 4.254 ( 0.077 -0.206 -0.179) 0.284 4.254 ( 0.077 0.206 -0.179) 0.284 4.495 ( -0.014 -0.160 0.220) 0.272 4.495 ( -0.014 0.160 0.220) 0.272 5.055 ( 0.032 -1.551 -0.068) 1.553 5.055 ( 0.032 1.551 -0.068) 1.553 5.108 ( 0.260 -1.443 -0.097) 1.470 5.108 ( 0.260 1.443 -0.097) 1.470 5.622 ( -0.200 -1.030 0.041) 1.050 5.622 ( -0.200 1.030 0.041) 1.050 5.860 ( -0.278 -0.519 0.331) 0.675 5.860 ( -0.278 0.519 0.331) 0.675 6.159 ( 0.149 -0.740 -0.364) 0.838 6.159 ( 0.149 0.740 -0.364) 0.838 8.633 ( 0.535 -0.609 1.330) 1.558 8.633 ( 0.535 0.609 1.330) 1.558 12.678 ( -0.755 -2.712 1.210) 3.064 12.678 ( -0.755 2.712 1.210) 3.064 12.923 ( -0.513 -0.208 -3.119) 3.168 12.923 ( -0.513 0.208 -3.119) 3.168 13.083 ( 1.295 -0.607 1.115) 1.814 13.083 ( 1.295 0.607 1.115) 1.814 13.234 ( -0.002 -1.628 0.754) 1.795 13.234 ( -0.002 1.628 0.754) 1.795 13.429 ( -1.052 -1.856 -1.275) 2.486 13.429 ( -1.052 1.856 -1.275) 2.486 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.991 -6.614 1.330) 6.819 0.449 ( -0.991 6.614 1.330) 6.819 0.636 ( 5.947 -7.585 1.230) 9.717 0.636 ( 5.947 7.585 1.230) 9.717 0.821 ( 4.812 -1.921 0.038) 5.181 0.821 ( 4.812 1.921 0.038) 5.181 0.955 ( 0.388 -0.345 -0.230) 0.568 0.955 ( 0.388 0.345 -0.230) 0.568 1.060 ( 3.461 -2.544 -0.694) 4.351 1.060 ( 3.461 2.544 -0.694) 4.351 1.126 ( 3.555 -3.452 1.608) 5.210 1.126 ( 3.555 3.452 1.608) 5.210 1.306 ( 4.382 -1.961 -2.510) 5.417 1.306 ( 4.382 1.961 -2.510) 5.417 1.367 ( -1.342 -1.281 0.252) 1.872 1.367 ( -1.342 1.281 0.252) 1.872 1.552 ( -0.663 -0.941 -0.715) 1.355 1.552 ( -0.663 0.941 -0.715) 1.355 1.689 ( 3.108 -2.733 -0.684) 4.195 1.689 ( 3.108 2.733 -0.684) 4.195 1.763 ( -1.884 -4.288 2.833) 5.474 1.763 ( -1.884 4.288 2.833) 5.474 1.855 ( -1.561 -1.194 0.935) 2.176 1.855 ( -1.561 1.194 0.935) 2.176 2.020 ( 0.328 -2.669 1.268) 2.973 2.020 ( 0.328 2.669 1.268) 2.973 2.162 ( -1.100 -1.044 -0.320) 1.550 2.162 ( -1.100 1.044 -0.320) 1.550 2.395 ( -1.189 -2.200 -0.350) 2.525 2.395 ( -1.189 2.200 -0.350) 2.525 2.600 ( -2.032 -1.577 -0.445) 2.610 2.600 ( -2.032 1.577 -0.445) 2.610 2.811 ( -2.571 -1.705 -0.212) 3.092 2.811 ( -2.571 1.705 -0.212) 3.092 2.857 ( -1.108 -0.329 0.169) 1.168 2.857 ( -1.108 0.329 0.169) 1.168 2.982 ( 3.003 -1.697 -0.403) 3.472 2.982 ( 3.003 1.697 -0.403) 3.472 3.301 ( -5.304 -0.696 0.075) 5.350 3.301 ( -5.304 0.696 0.075) 5.350 3.790 ( -0.388 -0.284 0.064) 0.485 3.790 ( -0.388 0.284 0.064) 0.485 4.019 ( 0.934 -0.088 0.294) 0.983 4.019 ( 0.934 0.088 0.294) 0.983 4.149 ( 0.591 -0.784 0.378) 1.052 4.149 ( 0.591 0.785 0.378) 1.052 4.273 ( 2.312 -0.195 -0.195) 2.329 4.273 ( 2.312 0.195 -0.195) 2.329 4.516 ( 2.238 -0.139 0.163) 2.248 4.516 ( 2.238 0.139 0.163) 2.248 5.031 ( -2.563 -0.629 -0.118) 2.641 5.031 ( -2.563 0.629 -0.118) 2.641 5.125 ( 1.628 -1.986 -0.046) 2.568 5.125 ( 1.628 1.986 -0.046) 2.568 5.617 ( -0.357 -0.684 0.014) 0.772 5.617 ( -0.357 0.684 0.014) 0.772 5.863 ( 0.127 -0.540 0.263) 0.614 5.863 ( 0.127 0.540 0.263) 0.614 6.145 ( -1.250 -0.152 -0.445) 1.335 6.145 ( -1.250 0.152 -0.445) 1.335 8.646 ( -1.067 -1.123 1.128) 1.917 8.646 ( -1.067 1.123 1.128) 1.917 12.701 ( 1.536 -2.421 1.316) 3.155 12.701 ( 1.536 2.421 1.316) 3.155 12.903 ( 1.815 -1.520 -3.015) 3.833 12.903 ( 1.815 1.520 -3.015) 3.833 13.135 ( 3.526 -1.216 0.031) 3.730 13.135 ( 3.526 1.216 0.031) 3.730 13.254 ( 1.336 -1.664 1.447) 2.578 13.254 ( 1.336 1.664 1.447) 2.578 13.410 ( 0.788 -1.427 -1.121) 1.979 13.410 ( 0.788 1.427 -1.121) 1.979 ======================= Grid point 67 (36/84) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 4.413 -3.149 1.003) 5.513 0.493 ( 4.413 3.149 1.003) 5.513 0.745 ( 4.554 -1.746 1.031) 4.985 0.745 ( 4.554 1.746 1.031) 4.985 0.876 ( 2.511 -2.909 -1.145) 4.010 0.876 ( 2.511 2.909 -1.145) 4.010 0.947 ( 0.068 -2.169 0.005) 2.170 0.947 ( 0.068 2.169 0.005) 2.170 1.078 ( 0.843 -1.311 -0.234) 1.576 1.078 ( 0.843 1.311 -0.234) 1.576 1.223 ( 3.792 -1.141 -0.507) 3.992 1.223 ( 3.792 1.141 -0.507) 3.992 1.343 ( -1.592 -1.632 0.133) 2.283 1.343 ( -1.592 1.632 0.133) 2.283 1.414 ( 10.228 -1.653 -0.944) 10.404 1.414 ( 10.228 1.653 -0.944) 10.404 1.532 ( -1.067 -1.776 -0.168) 2.078 1.532 ( -1.067 1.776 -0.168) 2.078 1.734 ( -0.213 -1.645 1.186) 2.039 1.734 ( -0.213 1.645 1.186) 2.039 1.754 ( 0.266 -2.645 -0.679) 2.744 1.754 ( 0.266 2.645 -0.679) 2.744 1.841 ( 0.852 -3.696 1.453) 4.062 1.841 ( 0.852 3.696 1.453) 4.062 2.016 ( -1.106 -2.986 -0.481) 3.221 2.016 ( -1.106 2.986 -0.481) 3.221 2.174 ( 2.079 -0.474 0.812) 2.282 2.174 ( 2.079 0.474 0.812) 2.282 2.376 ( -1.253 -2.239 0.354) 2.591 2.376 ( -1.253 2.239 0.354) 2.591 2.551 ( -3.000 -0.787 -0.383) 3.125 2.551 ( -3.000 0.787 -0.383) 3.125 2.777 ( -1.541 -1.213 0.085) 1.963 2.777 ( -1.541 1.213 0.085) 1.963 2.828 ( -2.342 -0.669 -0.176) 2.442 2.828 ( -2.342 0.669 -0.176) 2.442 3.010 ( 0.830 -0.393 -0.558) 1.074 3.010 ( 0.830 0.393 -0.558) 1.074 3.195 ( -7.169 -0.500 0.208) 7.189 3.195 ( -7.169 0.500 0.208) 7.189 3.782 ( -0.379 -1.140 -0.132) 1.208 3.782 ( -0.379 1.140 -0.132) 1.208 4.047 ( 1.569 -0.636 0.379) 1.735 4.047 ( 1.569 0.636 0.379) 1.735 4.157 ( 0.380 -1.708 0.208) 1.762 4.157 ( 0.380 1.708 0.208) 1.762 4.307 ( 1.726 -0.138 -0.302) 1.758 4.307 ( 1.726 0.138 -0.302) 1.758 4.570 ( 4.120 -0.131 0.042) 4.122 4.570 ( 4.120 0.131 0.042) 4.122 4.972 ( -4.346 -0.393 -0.077) 4.365 4.972 ( -4.346 0.393 -0.077) 4.365 5.154 ( 1.840 -1.759 -0.083) 2.547 5.154 ( 1.840 1.759 -0.083) 2.547 5.613 ( -0.198 -0.262 0.067) 0.336 5.613 ( -0.198 0.262 0.067) 0.336 5.867 ( 0.016 -0.454 0.140) 0.475 5.867 ( 0.016 0.454 0.140) 0.475 6.110 ( -2.288 -0.560 -0.450) 2.398 6.110 ( -2.288 0.560 -0.450) 2.398 8.626 ( -2.283 -0.712 0.531) 2.449 8.626 ( -2.283 0.712 0.531) 2.449 12.747 ( 1.707 -1.874 1.412) 2.902 12.747 ( 1.707 1.874 1.412) 2.902 12.902 ( 1.697 -1.029 -1.997) 2.815 12.902 ( 1.697 1.029 -1.997) 2.815 13.180 ( 2.510 -0.986 -0.751) 2.799 13.180 ( 2.510 0.986 -0.751) 2.799 13.322 ( 4.805 -1.733 0.855) 5.179 13.322 ( 4.805 1.733 0.855) 5.179 13.428 ( 2.161 -1.486 -0.211) 2.631 13.428 ( 2.161 1.486 -0.211) 2.631 ======================= Grid point 69 (37/84) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 4.857 -2.968 0.872) 5.758 0.590 ( 4.857 2.968 0.872) 5.758 0.794 ( 1.048 -1.679 0.813) 2.139 0.794 ( 1.048 1.679 0.813) 2.139 0.885 ( 1.086 -0.151 -3.154) 3.339 0.885 ( 1.086 0.151 -3.154) 3.339 0.973 ( 4.190 -2.695 -0.834) 5.052 0.973 ( 4.190 2.695 -0.834) 5.052 1.105 ( 1.180 -1.967 1.716) 2.865 1.105 ( 1.180 1.967 1.716) 2.865 1.244 ( 0.286 -1.356 -1.061) 1.745 1.244 ( 0.286 1.356 -1.061) 1.745 1.302 ( -3.281 -1.503 0.349) 3.626 1.302 ( -3.281 1.503 0.349) 3.626 1.506 ( -0.801 -2.417 -0.412) 2.579 1.506 ( -0.801 2.417 -0.412) 2.579 1.557 ( 5.443 -2.569 -0.349) 6.029 1.557 ( 5.443 2.569 -0.349) 6.029 1.696 ( -2.256 -1.940 0.620) 3.039 1.696 ( -2.256 1.940 0.620) 3.039 1.776 ( 0.852 -2.261 1.232) 2.712 1.776 ( 0.852 2.261 1.232) 2.712 1.932 ( 2.747 -2.553 0.111) 3.752 1.932 ( 2.747 2.553 0.111) 3.752 1.992 ( 3.166 -3.140 -1.281) 4.639 1.992 ( 3.166 3.140 -1.281) 4.639 2.232 ( 4.093 -0.609 0.213) 4.144 2.232 ( 4.093 0.609 0.213) 4.144 2.370 ( 0.152 -3.172 0.745) 3.262 2.370 ( 0.152 3.172 0.745) 3.262 2.499 ( -2.612 -0.814 -0.470) 2.776 2.499 ( -2.612 0.814 -0.470) 2.776 2.743 ( -4.355 -0.129 0.338) 4.370 2.743 ( -4.355 0.129 0.338) 4.370 2.793 ( -0.018 -0.490 -0.487) 0.691 2.793 ( -0.018 0.490 -0.487) 0.691 2.987 ( -3.145 -0.850 -0.486) 3.294 2.987 ( -3.145 0.850 -0.486) 3.294 3.095 ( -4.480 -0.443 0.398) 4.519 3.095 ( -4.480 0.443 0.398) 4.519 3.780 ( 0.364 -2.196 -0.121) 2.229 3.780 ( 0.364 2.196 -0.121) 2.229 4.070 ( 0.786 -1.805 0.143) 1.974 4.070 ( 0.786 1.805 0.143) 1.974 4.168 ( 0.586 -1.449 -0.174) 1.572 4.168 ( 0.586 1.449 -0.174) 1.572 4.323 ( 0.982 -0.396 -0.265) 1.092 4.323 ( 0.982 0.396 -0.265) 1.092 4.645 ( 4.486 -0.389 0.187) 4.507 4.645 ( 4.486 0.389 0.187) 4.507 4.893 ( -5.085 -0.722 0.011) 5.136 4.893 ( -5.085 0.722 0.011) 5.136 5.179 ( 1.227 -1.218 -0.107) 1.732 5.179 ( 1.227 1.218 -0.107) 1.732 5.614 ( 0.252 -0.020 0.079) 0.264 5.614 ( 0.252 0.020 0.079) 0.264 5.865 ( -0.286 -0.295 0.062) 0.416 5.865 ( -0.286 0.295 0.062) 0.416 6.067 ( -2.207 -1.018 -0.196) 2.438 6.067 ( -2.207 1.018 -0.196) 2.438 8.591 ( -2.063 -0.156 0.012) 2.069 8.591 ( -2.063 0.156 0.012) 2.069 12.779 ( 0.475 -1.347 0.837) 1.656 12.779 ( 0.475 1.347 0.837) 1.656 12.914 ( 1.237 -0.090 -0.040) 1.241 12.914 ( 1.237 0.090 -0.040) 1.241 13.209 ( 1.816 -0.444 -0.162) 1.876 13.209 ( 1.816 0.444 -0.162) 1.876 13.402 ( 4.438 -3.499 -1.183) 5.774 13.402 ( 4.438 3.499 -1.183) 5.774 13.471 ( 2.530 -1.115 0.595) 2.828 13.471 ( 2.530 1.115 0.595) 2.828 ======================= Grid point 71 (38/84) ======================= q-point: ( 0.44 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.177 -0.301 0.443) 0.564 0.639 ( 0.177 0.301 0.443) 0.564 0.806 ( 0.176 -0.809 -2.944) 3.059 0.806 ( 0.176 0.809 -2.944) 3.059 0.890 ( 3.866 -2.144 0.659) 4.470 0.890 ( 3.866 2.144 0.659) 4.470 1.039 ( 3.628 -2.340 -0.477) 4.344 1.039 ( 3.628 2.340 -0.477) 4.344 1.126 ( -1.298 -0.684 -1.102) 1.835 1.126 ( -1.298 0.684 -1.102) 1.835 1.198 ( -2.337 -3.368 0.065) 4.099 1.198 ( -2.337 3.368 0.065) 4.099 1.292 ( 0.103 -0.873 1.982) 2.168 1.292 ( 0.103 0.873 1.982) 2.168 1.485 ( -0.976 -2.954 0.096) 3.112 1.485 ( -0.976 2.954 0.096) 3.112 1.593 ( 0.360 -2.537 -0.111) 2.565 1.593 ( 0.360 2.537 -0.111) 2.565 1.699 ( 0.897 -1.254 0.359) 1.583 1.699 ( 0.897 1.254 0.359) 1.583 1.810 ( 0.486 -0.627 0.631) 1.014 1.810 ( 0.486 0.627 0.631) 1.014 1.888 ( -1.585 -1.727 -0.836) 2.488 1.888 ( -1.585 1.727 -0.836) 2.488 2.070 ( 2.637 -0.844 -0.576) 2.828 2.070 ( 2.637 0.844 -0.576) 2.828 2.305 ( 3.634 -0.870 -0.790) 3.820 2.305 ( 3.634 0.870 -0.790) 3.820 2.393 ( 0.685 -3.509 0.334) 3.591 2.393 ( 0.685 3.509 0.334) 3.591 2.471 ( 1.322 -0.532 -0.499) 1.510 2.471 ( 1.322 0.532 -0.499) 1.510 2.645 ( -6.294 -0.433 -0.027) 6.309 2.645 ( -6.294 0.433 -0.027) 6.309 2.820 ( 2.731 -0.420 0.363) 2.787 2.820 ( 2.731 0.420 0.363) 2.787 2.915 ( -3.887 -0.992 -0.239) 4.019 2.915 ( -3.887 0.992 -0.239) 4.019 3.059 ( -1.017 -0.431 0.432) 1.186 3.059 ( -1.017 0.431 0.432) 1.186 3.788 ( 0.473 -2.308 -0.041) 2.356 3.788 ( 0.473 2.308 -0.041) 2.356 4.076 ( 0.012 -2.525 -0.223) 2.534 4.076 ( 0.012 2.525 -0.223) 2.534 4.167 ( 0.113 -0.207 -0.770) 0.806 4.167 ( 0.113 0.207 -0.770) 0.806 4.339 ( 0.888 -0.573 0.155) 1.069 4.339 ( 0.888 0.573 0.155) 1.069 4.712 ( 2.830 -0.910 0.402) 3.000 4.712 ( 2.830 0.910 0.402) 3.000 4.817 ( -3.443 -0.293 0.039) 3.456 4.817 ( -3.443 0.293 0.039) 3.456 5.190 ( 0.358 -0.885 -0.159) 0.968 5.190 ( 0.358 0.885 -0.159) 0.968 5.620 ( 0.226 -0.058 0.023) 0.234 5.620 ( 0.226 0.058 0.023) 0.234 5.861 ( -0.200 -0.067 0.062) 0.220 5.861 ( -0.200 0.067 0.062) 0.220 6.040 ( -0.807 -1.003 0.184) 1.300 6.040 ( -0.807 1.003 0.184) 1.300 8.564 ( -0.884 -0.174 -0.453) 1.009 8.564 ( -0.884 0.174 -0.453) 1.009 12.785 ( -0.306 -1.517 0.276) 1.572 12.785 ( -0.306 1.517 0.276) 1.572 12.938 ( 0.434 -0.107 1.557) 1.620 12.938 ( 0.434 0.107 1.557) 1.620 13.233 ( 0.792 -0.266 0.379) 0.917 13.233 ( 0.792 0.266 0.379) 0.917 13.435 ( 2.008 -4.430 -2.062) 5.282 13.435 ( 2.008 4.430 -2.062) 5.282 13.510 ( 1.053 -1.105 0.254) 1.547 13.510 ( 1.053 1.105 0.254) 1.547 ======================= Grid point 73 (39/84) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -2.219 -2.924 -0.201) 3.676 0.622 ( -2.219 2.924 -0.201) 3.676 0.768 ( -0.234 -2.063 -2.250) 3.062 0.768 ( -0.234 2.063 -2.250) 3.062 0.976 ( 2.719 -3.040 2.027) 4.554 0.976 ( 2.719 3.040 2.027) 4.554 1.018 ( -4.930 -2.330 -2.495) 5.996 1.018 ( -4.930 2.330 -2.495) 5.996 1.077 ( -0.330 -1.192 0.066) 1.238 1.077 ( -0.330 1.192 0.066) 1.238 1.202 ( 2.247 -2.023 -1.787) 3.512 1.202 ( 2.247 2.023 -1.787) 3.512 1.331 ( 0.419 -2.145 3.438) 4.074 1.331 ( 0.419 2.145 3.438) 4.074 1.482 ( 0.514 -1.877 -0.222) 1.958 1.482 ( 0.514 1.877 -0.222) 1.958 1.597 ( 0.182 -2.186 0.292) 2.213 1.597 ( 0.182 2.186 0.292) 2.213 1.707 ( -0.637 -1.620 0.460) 1.801 1.707 ( -0.637 1.620 0.460) 1.801 1.775 ( -1.901 -2.939 -0.545) 3.543 1.775 ( -1.901 2.939 -0.545) 3.543 1.916 ( 2.406 -4.847 0.363) 5.424 1.916 ( 2.406 4.847 0.363) 5.424 2.049 ( -3.746 -1.249 -1.283) 4.152 2.049 ( -3.746 1.249 -1.283) 4.152 2.296 ( -2.977 -0.573 -1.293) 3.296 2.296 ( -2.977 0.573 -1.293) 3.296 2.376 ( -2.029 -2.096 0.026) 2.917 2.376 ( -2.029 2.096 0.026) 2.917 2.472 ( -1.020 -0.659 -0.467) 1.301 2.472 ( -1.020 0.659 -0.467) 1.301 2.645 ( 6.165 -0.380 0.013) 6.177 2.645 ( 6.165 0.380 0.013) 6.177 2.833 ( -2.417 -0.419 0.582) 2.521 2.833 ( -2.417 0.419 0.582) 2.521 2.916 ( 4.562 -0.531 -0.080) 4.593 2.916 ( 4.562 0.531 -0.080) 4.593 3.065 ( 0.971 -0.283 0.547) 1.150 3.065 ( 0.971 0.283 0.547) 1.150 3.790 ( -0.226 -1.883 0.022) 1.897 3.790 ( -0.226 1.883 0.022) 1.897 4.067 ( -0.412 -1.857 -0.532) 1.975 4.067 ( -0.412 1.857 -0.532) 1.975 4.160 ( 0.135 -0.865 -0.937) 1.282 4.160 ( 0.135 0.865 -0.937) 1.282 4.346 ( -0.496 -0.473 0.321) 0.757 4.346 ( -0.496 0.473 0.321) 0.757 4.710 ( -3.258 -0.941 0.338) 3.408 4.710 ( -3.258 0.941 0.338) 3.408 4.822 ( 3.507 -0.583 0.182) 3.560 4.822 ( 3.507 0.583 0.182) 3.560 5.189 ( -0.232 -1.001 -0.202) 1.047 5.189 ( -0.232 1.001 -0.202) 1.047 5.618 ( -0.361 -0.172 -0.025) 0.401 5.618 ( -0.361 0.172 -0.025) 0.401 5.863 ( 0.244 -0.127 0.115) 0.298 5.863 ( 0.244 0.127 0.115) 0.298 6.047 ( 1.114 -0.618 0.381) 1.330 6.047 ( 1.114 0.618 0.381) 1.330 8.554 ( 0.652 -0.063 -0.737) 0.986 8.554 ( 0.652 0.063 -0.737) 0.986 12.779 ( -0.832 -1.949 0.180) 2.127 12.779 ( -0.832 1.949 0.180) 2.127 12.963 ( -0.156 -0.328 2.269) 2.297 12.963 ( -0.156 0.328 2.269) 2.297 13.240 ( -0.547 -0.642 0.408) 0.937 13.240 ( -0.547 0.642 0.408) 0.937 13.421 ( -0.644 -3.199 -2.338) 4.015 13.421 ( -0.644 3.199 -2.338) 4.015 13.507 ( -1.413 -0.485 0.185) 1.506 13.507 ( -1.413 0.485 0.185) 1.506 ======================= Grid point 75 (40/84) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -4.442 -5.666 0.150) 7.201 0.565 ( -4.442 5.666 0.150) 7.201 0.737 ( -1.313 -1.441 -1.956) 2.761 0.737 ( -1.313 1.441 -1.956) 2.761 0.893 ( -4.721 -3.352 -2.877) 6.465 0.893 ( -4.721 3.352 -2.877) 6.465 1.034 ( -1.520 -1.205 3.651) 4.134 1.034 ( -1.520 1.205 3.651) 4.134 1.066 ( 0.935 -3.943 -0.613) 4.099 1.066 ( 0.935 3.943 -0.613) 4.099 1.216 ( 2.543 -3.111 -3.078) 5.061 1.216 ( 2.543 3.111 -3.078) 5.061 1.370 ( -1.119 -3.675 3.494) 5.193 1.370 ( -1.119 3.675 3.494) 5.193 1.485 ( -0.213 -1.890 -0.320) 1.929 1.485 ( -0.213 1.890 -0.320) 1.929 1.595 ( -0.585 -1.628 -0.502) 1.801 1.595 ( -0.585 1.628 -0.502) 1.801 1.691 ( -2.738 -1.359 0.895) 3.185 1.691 ( -2.738 1.359 0.895) 3.185 1.771 ( 1.124 -2.080 0.579) 2.434 1.771 ( 1.124 2.080 0.579) 2.434 1.882 ( -7.436 -3.037 -0.935) 8.086 1.882 ( -7.436 3.037 -0.935) 8.086 1.981 ( 0.814 -1.925 -1.835) 2.781 1.981 ( 0.814 1.925 -1.835) 2.781 2.209 ( -4.525 -1.042 -0.691) 4.695 2.209 ( -4.525 1.042 -0.691) 4.695 2.372 ( 0.477 -1.697 1.005) 2.029 2.372 ( 0.477 1.697 1.005) 2.029 2.481 ( 2.921 -0.922 -1.053) 3.239 2.481 ( 2.921 0.922 -1.053) 3.239 2.742 ( 4.294 -0.549 0.216) 4.334 2.742 ( 4.294 0.549 0.216) 4.334 2.809 ( -0.385 -0.913 0.093) 0.995 2.809 ( -0.385 0.913 0.093) 0.995 2.991 ( 3.463 -0.494 -0.215) 3.505 2.991 ( 3.463 0.494 -0.215) 3.505 3.111 ( 4.140 -0.530 0.732) 4.238 3.111 ( 4.140 0.530 0.732) 4.238 3.786 ( -0.168 -0.939 0.043) 0.955 3.786 ( -0.168 0.939 0.043) 0.955 4.053 ( -0.693 -0.608 -0.373) 0.995 4.053 ( -0.693 0.608 -0.373) 0.995 4.145 ( -0.466 -1.301 -0.925) 1.663 4.145 ( -0.466 1.301 -0.925) 1.663 4.334 ( -1.135 -0.136 0.096) 1.147 4.334 ( -1.135 0.136 0.096) 1.147 4.648 ( -4.480 -0.121 0.298) 4.491 4.648 ( -4.480 0.121 0.298) 4.491 4.897 ( 4.912 -0.982 0.143) 5.011 4.897 ( 4.912 0.982 0.143) 5.011 5.177 ( -1.066 -1.448 -0.207) 1.810 5.177 ( -1.066 1.448 -0.207) 1.810 5.612 ( -0.223 -0.494 0.012) 0.542 5.612 ( -0.223 0.494 0.012) 0.542 5.869 ( 0.167 -0.165 0.192) 0.303 5.869 ( 0.167 0.165 0.192) 0.303 6.081 ( 2.337 -0.062 0.236) 2.349 6.081 ( 2.337 0.062 0.236) 2.349 8.567 ( 1.813 -0.564 -0.767) 2.048 8.567 ( 1.813 0.564 -0.767) 2.048 12.761 ( -1.652 -2.399 0.310) 2.929 12.761 ( -1.652 2.399 0.310) 2.929 12.985 ( -0.486 -1.094 2.408) 2.689 12.985 ( -0.486 1.094 2.408) 2.689 13.225 ( -1.233 -0.709 -0.479) 1.501 13.225 ( -1.233 0.709 -0.479) 1.501 13.354 ( -4.394 -0.009 -1.844) 4.765 13.354 ( -4.394 0.009 -1.844) 4.765 13.484 ( -1.715 -1.332 0.798) 2.314 13.484 ( -1.715 1.332 0.798) 2.314 ======================= Grid point 77 (41/84) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -4.684 -7.726 1.035) 9.094 0.492 ( -4.684 7.726 1.035) 9.094 0.671 ( -4.028 -3.880 -1.896) 5.905 0.671 ( -4.028 3.880 -1.896) 5.905 0.800 ( -2.032 -3.799 -2.237) 4.854 0.800 ( -2.032 3.799 -2.237) 4.854 1.033 ( -1.555 -1.254 1.679) 2.610 1.033 ( -1.555 1.254 1.679) 2.610 1.090 ( -0.458 -3.199 0.530) 3.275 1.090 ( -0.458 3.199 0.530) 3.275 1.208 ( -0.256 -4.984 -1.223) 5.138 1.208 ( -0.256 4.984 -1.223) 5.138 1.332 ( -7.201 -2.555 0.406) 7.651 1.332 ( -7.201 2.555 0.406) 7.651 1.458 ( -2.876 -2.572 0.968) 3.978 1.458 ( -2.876 2.572 0.968) 3.978 1.579 ( 0.413 -2.403 -0.644) 2.522 1.579 ( 0.413 2.403 -0.644) 2.522 1.637 ( -1.895 -4.038 -1.026) 4.577 1.637 ( -1.895 4.038 -1.026) 4.577 1.769 ( -2.654 -3.635 0.307) 4.511 1.769 ( -2.654 3.635 0.307) 4.511 1.823 ( 1.179 -4.115 0.555) 4.317 1.823 ( 1.179 4.115 0.555) 4.317 1.975 ( 0.208 -3.139 -1.958) 3.706 1.975 ( 0.208 3.139 -1.958) 3.706 2.161 ( -0.913 -1.038 0.573) 1.496 2.161 ( -0.913 1.038 0.573) 1.496 2.395 ( 1.089 -1.814 0.720) 2.235 2.395 ( 1.089 1.814 0.720) 2.235 2.535 ( 4.391 -1.425 -0.767) 4.679 2.535 ( 4.391 1.425 -0.767) 4.679 2.788 ( 1.690 -1.853 0.451) 2.548 2.788 ( 1.690 1.853 0.451) 2.548 2.827 ( 1.960 -0.049 -0.151) 1.966 2.827 ( 1.960 0.049 -0.151) 1.966 3.008 ( -0.524 -1.835 -0.583) 1.995 3.008 ( -0.524 1.835 -0.583) 1.995 3.213 ( 6.420 -0.578 0.713) 6.485 3.213 ( 6.420 0.578 0.713) 6.485 3.787 ( 0.272 -0.435 -0.037) 0.515 3.787 ( 0.272 0.435 -0.037) 0.515 4.032 ( -1.474 -0.278 -0.020) 1.500 4.032 ( -1.474 0.278 -0.020) 1.500 4.132 ( 0.193 -0.419 -0.619) 0.772 4.132 ( 0.193 0.419 -0.619) 0.772 4.311 ( -1.792 -0.288 -0.134) 1.820 4.311 ( -1.792 0.288 -0.134) 1.820 4.575 ( -4.560 -0.315 0.188) 4.575 4.575 ( -4.560 0.315 0.188) 4.575 4.976 ( 4.314 -1.532 0.001) 4.578 4.976 ( 4.314 1.532 0.001) 4.578 5.150 ( -1.702 -1.733 -0.261) 2.443 5.150 ( -1.702 1.733 -0.261) 2.443 5.614 ( 0.310 -0.954 0.130) 1.012 5.614 ( 0.310 0.954 0.130) 1.012 5.870 ( -0.348 -0.199 0.274) 0.486 5.870 ( -0.348 0.199 0.274) 0.486 6.121 ( 2.290 -0.642 -0.090) 2.380 6.121 ( 2.290 0.642 -0.090) 2.380 8.590 ( 1.786 -0.758 -0.596) 2.030 8.590 ( 1.786 0.758 -0.596) 2.030 12.732 ( -2.539 -2.881 0.580) 3.883 12.732 ( -2.539 2.881 0.580) 3.883 13.000 ( -0.958 -2.094 1.997) 3.048 13.000 ( -0.958 2.094 1.997) 3.048 13.178 ( -2.924 -0.926 -3.100) 4.361 13.178 ( -2.924 0.926 -3.100) 4.361 13.261 ( -4.392 -1.362 0.553) 4.631 13.261 ( -4.392 1.362 0.553) 4.631 13.472 ( -1.296 -1.428 1.129) 2.234 13.472 ( -1.296 1.428 1.129) 2.234 ======================= Grid point 79 (42/84) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -0.719 -3.601 1.768) 4.076 0.462 ( -0.719 3.601 1.768) 4.076 0.571 ( -4.917 -6.344 -0.442) 8.038 0.571 ( -4.917 6.344 -0.442) 8.038 0.798 ( 2.504 -2.018 -0.139) 3.219 0.798 ( 2.504 2.018 -0.139) 3.219 0.957 ( -9.522 -8.020 -2.022) 12.613 0.957 ( -9.522 8.020 -2.022) 12.613 1.040 ( -3.049 -0.355 1.001) 3.229 1.040 ( -3.049 0.355 1.001) 3.229 1.166 ( -3.908 -3.460 1.189) 5.353 1.166 ( -3.908 3.460 1.189) 5.353 1.282 ( 1.910 -3.655 -0.876) 4.216 1.282 ( 1.910 3.655 -0.876) 4.216 1.419 ( -1.863 -2.768 -1.016) 3.488 1.419 ( -1.863 2.768 -1.016) 3.488 1.586 ( 0.102 -0.997 -0.588) 1.162 1.586 ( 0.102 0.997 -0.588) 1.162 1.626 ( 2.015 -4.599 -1.026) 5.125 1.626 ( 2.015 4.599 -1.026) 5.125 1.744 ( -1.909 -4.777 2.014) 5.525 1.744 ( -1.909 4.777 2.014) 5.525 1.847 ( 0.311 -2.330 0.968) 2.542 1.847 ( 0.311 2.330 0.968) 2.542 1.953 ( -0.266 -2.982 -0.254) 3.004 1.953 ( -0.266 2.982 -0.254) 3.004 2.175 ( 0.561 -1.075 1.077) 1.622 2.175 ( 0.561 1.075 1.077) 1.622 2.425 ( 2.064 -3.168 -0.687) 3.843 2.425 ( 2.064 3.168 -0.687) 3.843 2.591 ( 3.049 -2.076 -0.501) 3.723 2.591 ( 3.049 2.076 -0.501) 3.723 2.829 ( 2.488 -1.560 0.387) 2.962 2.829 ( 2.488 1.560 0.387) 2.962 2.855 ( 1.658 -0.371 0.022) 1.699 2.855 ( 1.658 0.371 0.022) 1.699 2.969 ( -2.910 -2.560 -0.835) 3.965 2.969 ( -2.910 2.560 -0.835) 3.965 3.313 ( 4.384 -0.859 0.329) 4.479 3.313 ( 4.384 0.859 0.329) 4.479 3.791 ( 0.168 -1.032 -0.002) 1.045 3.791 ( 0.168 1.032 -0.002) 1.045 4.013 ( -0.779 -1.053 0.200) 1.325 4.013 ( -0.779 1.053 0.200) 1.325 4.131 ( -0.135 -1.063 -0.093) 1.076 4.131 ( -0.135 1.063 -0.093) 1.076 4.274 ( -2.090 -0.342 -0.165) 2.124 4.274 ( -2.090 0.342 -0.165) 2.124 4.514 ( -2.675 -0.268 0.126) 2.691 4.514 ( -2.675 0.268 0.126) 2.691 5.033 ( 2.580 -1.861 -0.097) 3.183 5.033 ( 2.580 1.861 -0.097) 3.183 5.121 ( -1.327 -1.447 -0.230) 1.977 5.121 ( -1.327 1.447 -0.230) 1.977 5.621 ( 0.205 -1.183 0.147) 1.210 5.621 ( 0.205 1.183 0.147) 1.210 5.865 ( -0.677 -0.206 0.304) 0.770 5.865 ( -0.677 0.206 0.304) 0.770 6.150 ( 1.401 -0.941 -0.299) 1.714 6.150 ( 1.401 0.941 -0.299) 1.714 8.610 ( 1.026 -0.294 0.235) 1.093 8.610 ( 1.026 0.294 0.235) 1.093 12.696 ( -2.641 -3.089 0.932) 4.170 12.696 ( -2.641 3.089 0.932) 4.170 12.986 ( -2.624 -2.155 -0.739) 3.475 12.986 ( -2.624 2.155 -0.739) 3.475 13.085 ( -2.518 -1.544 -1.248) 3.206 13.085 ( -2.518 1.544 -1.248) 3.206 13.232 ( -0.955 -1.247 0.747) 1.739 13.232 ( -0.955 1.247 0.747) 1.739 13.459 ( -1.372 -2.211 0.098) 2.604 13.459 ( -1.372 2.211 0.098) 2.604 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -9.978 0.000 8.870) 13.350 0.566 ( 2.899 0.000 11.311) 11.677 0.684 ( 0.938 0.000 -4.535) 4.631 0.707 ( 3.021 0.000 10.168) 10.607 0.751 ( 4.314 0.000 0.235) 4.321 0.795 ( 2.152 0.000 2.584) 3.363 0.864 ( -1.852 0.000 2.017) 2.738 0.954 ( 0.187 0.000 -1.521) 1.532 0.983 ( 0.830 0.000 -0.661) 1.061 1.002 ( -2.733 0.000 -4.381) 5.164 1.073 ( -0.464 0.000 -4.157) 4.182 1.073 ( 0.507 0.000 0.810) 0.955 1.276 ( 1.723 0.000 1.761) 2.464 1.347 ( -2.995 0.000 -1.149) 3.208 1.462 ( 0.241 0.000 -3.967) 3.974 1.472 ( 1.117 0.000 -4.380) 4.520 1.520 ( -1.091 0.000 0.902) 1.416 1.530 ( 0.092 0.000 1.336) 1.339 1.637 ( 2.549 0.000 0.680) 2.638 1.667 ( -0.201 0.000 0.614) 0.646 1.748 ( -0.365 0.000 -1.190) 1.245 1.756 ( -2.137 0.000 1.918) 2.872 1.803 ( -1.467 0.000 -3.748) 4.025 1.816 ( 0.846 0.000 -0.699) 1.098 2.017 ( 3.111 0.000 1.217) 3.341 2.046 ( -1.029 0.000 0.791) 1.299 2.192 ( 0.492 0.000 1.502) 1.580 2.196 ( 1.004 0.000 0.892) 1.343 2.389 ( -1.707 0.000 0.996) 1.977 2.417 ( -0.153 0.000 -0.521) 0.543 2.576 ( -0.116 0.000 1.150) 1.155 2.637 ( 1.224 0.000 -1.683) 2.081 2.836 ( -3.202 0.000 1.169) 3.409 2.862 ( -0.045 0.000 0.077) 0.090 2.866 ( 0.643 0.000 0.049) 0.645 2.890 ( 0.422 0.000 -1.157) 1.231 2.895 ( 2.624 0.000 1.373) 2.962 2.978 ( 0.934 0.000 -2.532) 2.699 3.334 ( -0.198 0.000 0.785) 0.810 3.365 ( -0.361 0.000 -0.626) 0.723 3.790 ( -0.445 0.000 0.452) 0.634 3.805 ( 0.077 0.000 -0.407) 0.414 3.990 ( 1.134 0.000 0.922) 1.462 4.022 ( -1.773 0.000 -0.616) 1.877 4.128 ( 2.941 0.000 1.400) 3.257 4.159 ( -1.874 0.000 -0.237) 1.889 4.245 ( 0.193 0.000 -0.016) 0.194 4.253 ( 0.056 0.000 -0.350) 0.354 4.498 ( 0.194 0.000 0.436) 0.477 4.499 ( -0.431 0.000 0.384) 0.577 5.012 ( 1.155 0.000 0.707) 1.354 5.060 ( -1.134 0.000 -1.495) 1.876 5.100 ( -1.156 0.000 1.539) 1.925 5.149 ( 1.659 0.000 -0.692) 1.798 5.608 ( 0.041 0.000 0.676) 0.678 5.637 ( -0.059 0.000 -0.718) 0.720 5.862 ( -1.269 0.000 0.505) 1.366 5.874 ( 0.141 0.000 0.008) 0.141 6.141 ( 0.852 0.000 0.077) 0.855 6.160 ( -0.557 0.000 -0.934) 1.087 8.655 ( -0.228 0.000 1.371) 1.390 8.681 ( 2.346 0.000 0.078) 2.348 12.668 ( -1.344 0.000 3.339) 3.599 12.770 ( -0.648 0.000 0.592) 0.878 12.824 ( -0.227 0.000 -2.915) 2.923 12.865 ( -0.885 0.000 -2.657) 2.800 13.099 ( -0.429 0.000 1.003) 1.091 13.107 ( 2.857 0.000 1.631) 3.290 13.232 ( -2.744 0.000 0.489) 2.787 13.278 ( 2.504 0.000 -2.216) 3.344 13.383 ( -2.812 0.000 0.382) 2.838 13.388 ( 0.020 0.000 0.050) 0.054 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 4.577 0.000 6.339) 7.819 0.595 ( -4.125 0.000 0.545) 4.161 0.736 ( 5.917 0.000 2.268) 6.337 0.789 ( -3.668 0.000 -3.862) 5.326 0.822 ( 2.485 0.000 -1.060) 2.702 0.879 ( 2.950 0.000 0.832) 3.065 0.925 ( 3.549 0.000 -1.245) 3.761 0.958 ( 4.261 0.000 -0.702) 4.319 0.983 ( 4.917 0.000 0.051) 4.917 1.016 ( 4.323 0.000 5.357) 6.884 1.078 ( 4.605 0.000 -1.842) 4.960 1.116 ( 4.680 0.000 0.620) 4.721 1.307 ( 0.547 0.000 -2.111) 2.181 1.323 ( 0.908 0.000 1.493) 1.748 1.437 ( 1.071 0.000 -2.220) 2.465 1.445 ( 0.772 0.000 -1.237) 1.458 1.520 ( 1.553 0.000 -0.162) 1.561 1.549 ( 1.036 0.000 0.843) 1.336 1.641 ( -1.921 0.000 -1.429) 2.394 1.655 ( -2.469 0.000 2.718) 3.672 1.719 ( -1.891 0.000 -4.108) 4.523 1.761 ( 1.777 0.000 1.504) 2.328 1.783 ( 1.979 0.000 0.811) 2.139 1.823 ( 0.571 0.000 -0.012) 0.571 1.999 ( -4.013 0.000 -1.711) 4.362 2.075 ( 1.894 0.000 0.794) 2.054 2.198 ( -0.653 0.000 -0.183) 0.678 2.211 ( 0.062 0.000 0.075) 0.098 2.373 ( -1.807 0.000 1.159) 2.147 2.406 ( -0.515 0.000 1.262) 1.363 2.567 ( -2.186 0.000 0.636) 2.277 2.610 ( -1.978 0.000 -1.767) 2.653 2.803 ( -2.533 0.000 1.766) 3.088 2.849 ( -1.600 0.000 0.135) 1.605 2.852 ( -1.964 0.000 -0.734) 2.096 2.873 ( -0.961 0.000 -0.620) 1.143 2.961 ( 3.154 0.000 1.017) 3.314 2.975 ( 2.294 0.000 -2.979) 3.760 3.298 ( -5.365 0.000 0.936) 5.446 3.309 ( -5.038 0.000 -0.420) 5.055 3.783 ( -2.486 0.000 -0.268) 2.500 3.788 ( 0.059 0.000 0.412) 0.416 4.017 ( 2.117 0.000 -0.317) 2.141 4.033 ( 2.027 0.000 0.924) 2.228 4.117 ( -2.216 0.000 -0.803) 2.357 4.182 ( 1.572 0.000 0.675) 1.711 4.267 ( 1.985 0.000 -0.472) 2.041 4.269 ( 2.545 0.000 0.062) 2.546 4.516 ( 2.130 0.000 0.021) 2.130 4.525 ( 2.378 0.000 0.364) 2.406 5.012 ( -2.614 0.000 -1.451) 2.990 5.028 ( -0.881 0.000 1.187) 1.478 5.102 ( -0.201 0.000 1.124) 1.142 5.165 ( 1.705 0.000 -1.161) 2.062 5.615 ( -0.172 0.000 0.662) 0.684 5.624 ( -0.448 0.000 -0.706) 0.836 5.859 ( -0.283 0.000 0.653) 0.712 5.878 ( 0.233 0.000 0.103) 0.255 6.127 ( -2.033 0.000 -0.842) 2.200 6.146 ( -0.574 0.000 0.216) 0.613 8.651 ( -1.567 0.000 0.592) 1.675 8.683 ( -1.050 0.000 -1.107) 1.526 12.706 ( 0.840 0.000 3.683) 3.778 12.774 ( 0.975 0.000 -0.846) 1.291 12.827 ( 2.566 0.000 0.350) 2.590 12.863 ( 2.703 0.000 -2.530) 3.702 13.113 ( 1.537 0.000 0.105) 1.541 13.171 ( 4.244 0.000 -1.184) 4.406 13.214 ( -0.399 0.000 0.160) 0.430 13.309 ( 3.361 0.000 0.072) 3.362 13.373 ( 0.517 0.000 1.094) 1.210 13.412 ( 2.287 0.000 0.210) 2.297 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.492 0.000 -2.206) 2.260 0.605 ( 8.071 0.000 0.260) 8.076 0.678 ( 0.068 0.000 -3.582) 3.583 0.735 ( -2.080 0.000 -6.236) 6.574 0.822 ( -0.244 0.000 -1.752) 1.769 0.933 ( 2.271 0.000 -0.677) 2.370 0.969 ( 4.905 0.000 1.529) 5.138 0.998 ( 1.528 0.000 2.883) 3.263 1.120 ( 3.742 0.000 -1.246) 3.944 1.128 ( 2.675 0.000 -0.684) 2.761 1.130 ( 3.314 0.000 4.684) 5.738 1.252 ( 9.285 0.000 0.605) 9.305 1.333 ( 4.512 0.000 -0.228) 4.518 1.334 ( -0.284 0.000 -0.050) 0.288 1.434 ( 0.042 0.000 0.646) 0.647 1.476 ( 0.644 0.000 3.329) 3.391 1.555 ( 1.881 0.000 -2.963) 3.510 1.561 ( -4.518 0.000 -1.302) 4.702 1.621 ( 7.942 0.000 -1.393) 8.063 1.632 ( -4.656 0.000 2.107) 5.111 1.713 ( 9.018 0.000 -2.498) 9.358 1.804 ( -1.206 0.000 1.641) 2.036 1.835 ( 1.209 0.000 0.872) 1.491 1.837 ( 3.164 0.000 1.081) 3.344 1.894 ( -5.084 0.000 -0.875) 5.158 2.089 ( 0.093 0.000 -1.346) 1.349 2.183 ( 0.236 0.000 -0.624) 0.667 2.208 ( 0.752 0.000 -1.230) 1.442 2.348 ( -2.355 0.000 0.271) 2.370 2.434 ( 1.372 0.000 1.919) 2.359 2.527 ( -2.803 0.000 -0.028) 2.803 2.539 ( -3.790 0.000 -1.745) 4.173 2.796 ( -0.685 0.000 1.505) 1.654 2.805 ( -2.385 0.000 -0.775) 2.507 2.813 ( -3.144 0.000 0.255) 3.154 2.838 ( -2.268 0.000 -0.883) 2.434 2.973 ( 0.650 0.000 -1.895) 2.003 3.014 ( 1.553 0.000 0.925) 1.808 3.193 ( -7.852 0.000 0.638) 7.877 3.209 ( -6.555 0.000 0.100) 6.556 3.736 ( -2.367 0.000 0.139) 2.371 3.803 ( 1.054 0.000 0.296) 1.095 4.040 ( -2.043 0.000 -0.301) 2.066 4.064 ( 3.285 0.000 -0.258) 3.295 4.104 ( 1.719 0.000 0.114) 1.723 4.200 ( 0.596 0.000 -0.309) 0.671 4.294 ( 1.582 0.000 -0.368) 1.624 4.310 ( 1.937 0.000 -0.069) 1.939 4.567 ( 3.961 0.000 -0.022) 3.961 4.583 ( 4.136 0.000 0.328) 4.149 4.941 ( -4.038 0.000 -1.115) 4.190 5.001 ( -4.004 0.000 1.108) 4.155 5.127 ( 1.496 0.000 0.874) 1.733 5.179 ( 1.763 0.000 -1.282) 2.180 5.611 ( -0.170 0.000 -0.523) 0.550 5.618 ( -0.246 0.000 0.454) 0.516 5.862 ( -0.211 0.000 0.449) 0.496 5.881 ( -0.281 0.000 0.294) 0.407 6.080 ( -2.576 0.000 -0.300) 2.593 6.128 ( -1.800 0.000 0.208) 1.812 8.622 ( -1.911 0.000 -0.275) 1.931 8.636 ( -2.604 0.000 -1.120) 2.834 12.763 ( 0.501 0.000 2.869) 2.913 12.783 ( 1.794 0.000 -1.383) 2.265 12.882 ( 2.198 0.000 -0.402) 2.235 12.894 ( 2.590 0.000 2.551) 3.636 13.150 ( 3.439 0.000 -1.041) 3.594 13.216 ( 0.478 0.000 0.186) 0.513 13.218 ( 4.195 0.000 -2.265) 4.768 13.388 ( 4.026 0.000 2.188) 4.582 13.419 ( 3.282 0.000 0.815) 3.382 13.456 ( 3.340 0.000 -0.893) 3.457 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 4.837 0.000 -9.372) 10.547 0.629 ( 4.659 0.000 -4.079) 6.192 0.654 ( -1.137 0.000 0.666) 1.317 0.785 ( -0.406 0.000 -1.629) 1.679 0.795 ( 7.751 0.000 0.321) 7.758 0.934 ( -0.749 0.000 -1.474) 1.654 1.059 ( 0.728 0.000 2.960) 3.048 1.064 ( 3.430 0.000 1.364) 3.692 1.102 ( 1.022 0.000 -2.422) 2.629 1.190 ( 4.119 0.000 -0.670) 4.173 1.206 ( -0.354 0.000 4.300) 4.314 1.310 ( -2.697 0.000 0.890) 2.840 1.382 ( 3.482 0.000 2.300) 4.173 1.415 ( 4.010 0.000 1.446) 4.262 1.445 ( -5.891 0.000 -3.275) 6.740 1.462 ( 2.072 0.000 -1.573) 2.602 1.520 ( 1.025 0.000 -2.628) 2.821 1.536 ( 0.598 0.000 4.619) 4.657 1.592 ( -1.374 0.000 0.767) 1.573 1.720 ( -1.208 0.000 -1.146) 1.665 1.755 ( 1.387 0.000 -0.326) 1.424 1.788 ( -5.677 0.000 1.614) 5.902 1.874 ( 8.679 0.000 -0.590) 8.699 1.909 ( 3.401 0.000 1.529) 3.729 1.973 ( 9.296 0.000 2.054) 9.520 2.055 ( 0.892 0.000 -4.145) 4.240 2.214 ( 4.428 0.000 -0.055) 4.428 2.217 ( 2.598 0.000 -1.675) 3.091 2.307 ( -1.869 0.000 -0.589) 1.960 2.458 ( -3.277 0.000 -1.542) 3.622 2.472 ( -2.389 0.000 0.449) 2.431 2.487 ( 1.600 0.000 -0.362) 1.641 2.747 ( -5.208 0.000 0.266) 5.215 2.751 ( -4.764 0.000 0.087) 4.765 2.790 ( -0.688 0.000 -1.156) 1.345 2.816 ( 1.050 0.000 1.088) 1.511 2.946 ( -2.494 0.000 -0.279) 2.509 3.020 ( -2.473 0.000 0.566) 2.537 3.081 ( -5.256 0.000 0.009) 5.256 3.109 ( -5.030 0.000 0.024) 5.030 3.721 ( -0.183 0.000 0.919) 0.937 3.821 ( 0.841 0.000 -0.258) 0.880 4.007 ( -0.901 0.000 -0.295) 0.948 4.108 ( 2.471 0.000 -0.474) 2.516 4.137 ( 1.307 0.000 0.486) 1.395 4.189 ( -0.797 0.000 -1.612) 1.798 4.312 ( 1.094 0.000 0.006) 1.094 4.333 ( 1.330 0.000 -0.085) 1.332 4.639 ( 4.328 0.000 0.333) 4.340 4.660 ( 4.480 0.000 0.151) 4.482 4.860 ( -4.238 0.000 -0.697) 4.295 4.930 ( -5.630 0.000 0.738) 5.678 5.159 ( 1.061 0.000 0.641) 1.240 5.192 ( 1.337 0.000 -1.093) 1.727 5.609 ( 0.621 0.000 -0.332) 0.704 5.619 ( -0.014 0.000 0.155) 0.155 5.863 ( -0.245 0.000 0.370) 0.444 5.874 ( -0.965 0.000 0.360) 1.030 6.043 ( -1.891 0.000 0.426) 1.939 6.096 ( -2.179 0.000 0.099) 2.181 8.582 ( -2.184 0.000 -0.964) 2.387 8.587 ( -1.643 0.000 -0.682) 1.779 12.775 ( -1.305 0.000 1.095) 1.703 12.799 ( 1.810 0.000 -1.117) 2.127 12.932 ( 1.766 0.000 2.574) 3.122 12.952 ( 0.651 0.000 2.569) 2.650 13.191 ( 3.288 0.000 -1.787) 3.742 13.243 ( 1.879 0.000 1.608) 2.473 13.254 ( 2.817 0.000 -1.990) 3.449 13.466 ( 1.741 0.000 2.252) 2.847 13.482 ( 3.286 0.000 -0.018) 3.286 13.498 ( 3.763 0.000 -2.165) 4.341 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 2.805 0.000 -4.046) 4.923 0.664 ( 3.672 0.000 -4.038) 5.458 0.712 ( 5.267 0.000 1.731) 5.544 0.779 ( 1.675 0.000 1.052) 1.978 0.891 ( -1.874 0.000 -1.190) 2.220 0.901 ( 4.515 0.000 -1.365) 4.717 1.044 ( -1.283 0.000 -3.682) 3.899 1.063 ( -2.178 0.000 -0.618) 2.264 1.169 ( 3.068 0.000 2.242) 3.800 1.230 ( -1.702 0.000 3.206) 3.630 1.232 ( -0.212 0.000 -0.465) 0.511 1.260 ( -3.389 0.000 -0.400) 3.413 1.330 ( 0.648 0.000 -3.095) 3.162 1.404 ( -3.186 0.000 -1.572) 3.553 1.447 ( -0.195 0.000 2.931) 2.938 1.506 ( 3.807 0.000 2.734) 4.687 1.556 ( 1.626 0.000 1.703) 2.354 1.583 ( -0.814 0.000 2.256) 2.398 1.641 ( 7.543 0.000 -2.287) 7.882 1.658 ( -3.274 0.000 0.896) 3.394 1.718 ( -5.268 0.000 3.594) 6.377 1.795 ( 2.064 0.000 -0.353) 2.094 1.864 ( -4.779 0.000 -1.885) 5.137 1.996 ( 3.347 0.000 0.056) 3.348 2.053 ( 2.077 0.000 -1.795) 2.745 2.116 ( 3.600 0.000 0.231) 3.608 2.260 ( 3.648 0.000 -0.894) 3.756 2.287 ( 1.518 0.000 -0.379) 1.565 2.309 ( 3.021 0.000 -0.824) 3.131 2.418 ( -1.559 0.000 -1.907) 2.464 2.431 ( 3.118 0.000 0.039) 3.118 2.516 ( 1.331 0.000 -0.452) 1.406 2.637 ( -7.408 0.000 0.093) 7.408 2.652 ( -5.759 0.000 0.012) 5.759 2.816 ( 4.176 0.000 0.086) 4.176 2.851 ( 1.751 0.000 0.509) 1.823 2.897 ( -3.065 0.000 0.755) 3.156 2.946 ( -5.296 0.000 -0.184) 5.299 3.034 ( -0.721 0.000 -0.165) 0.740 3.059 ( -1.269 0.000 -0.421) 1.337 3.741 ( 0.466 0.000 1.516) 1.586 3.823 ( 0.283 0.000 -0.933) 0.975 4.007 ( 0.608 0.000 0.646) 0.887 4.126 ( -0.234 0.000 -2.104) 2.117 4.149 ( -0.401 0.000 0.216) 0.455 4.150 ( 0.153 0.000 -0.867) 0.880 4.332 ( 0.847 0.000 0.359) 0.920 4.352 ( 0.927 0.000 -0.234) 0.956 4.703 ( 1.644 0.000 1.039) 1.945 4.726 ( 3.657 0.000 -0.382) 3.677 4.805 ( -0.586 0.000 -0.480) 0.758 4.841 ( -5.770 0.000 0.470) 5.789 5.172 ( -0.219 0.000 0.422) 0.475 5.197 ( 0.784 0.000 -0.855) 1.160 5.618 ( 0.623 0.000 -0.224) 0.662 5.620 ( -0.058 0.000 -0.052) 0.078 5.864 ( -0.054 0.000 0.347) 0.351 5.866 ( -0.364 0.000 0.385) 0.529 6.031 ( -0.401 0.000 0.784) 0.881 6.065 ( -1.283 0.000 -0.131) 1.289 8.549 ( -0.569 0.000 -0.732) 0.927 8.555 ( -1.017 0.000 -0.803) 1.296 12.762 ( -1.786 0.000 1.181) 2.141 12.812 ( 1.162 0.000 -0.999) 1.532 12.981 ( 0.280 0.000 2.582) 2.597 12.981 ( -0.411 0.000 2.338) 2.374 13.215 ( 2.168 0.000 -1.723) 2.770 13.256 ( 0.567 0.000 -2.405) 2.471 13.314 ( 2.812 0.000 3.453) 4.453 13.491 ( -0.674 0.000 -0.099) 0.681 13.514 ( 0.911 0.000 -0.609) 1.096 13.521 ( 2.017 0.000 -1.731) 2.658 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -0.730 0.000 0.254) 0.773 0.650 ( 0.951 0.000 -5.911) 5.987 0.812 ( -1.460 0.000 -1.499) 2.093 0.820 ( 3.264 0.000 0.702) 3.339 0.858 ( -4.933 0.000 -2.350) 5.464 0.863 ( 0.225 0.000 -0.403) 0.462 0.987 ( -4.089 0.000 -1.461) 4.342 1.005 ( 2.445 0.000 0.478) 2.492 1.199 ( -3.099 0.000 0.087) 3.100 1.217 ( 0.311 0.000 1.420) 1.454 1.239 ( 0.350 0.000 0.850) 0.919 1.239 ( 1.641 0.000 1.693) 2.358 1.322 ( -3.805 0.000 -1.885) 4.246 1.387 ( 5.264 0.000 -0.490) 5.287 1.479 ( -0.349 0.000 2.577) 2.601 1.525 ( -5.134 0.000 2.603) 5.756 1.595 ( 1.643 0.000 -1.650) 2.329 1.598 ( 0.662 0.000 1.888) 2.001 1.631 ( 0.263 0.000 -1.292) 1.318 1.710 ( 0.622 0.000 -3.448) 3.504 1.731 ( -0.929 0.000 6.424) 6.491 1.782 ( 0.560 0.000 -0.073) 0.564 1.833 ( 2.778 0.000 1.050) 2.969 1.969 ( 0.082 0.000 -5.890) 5.891 2.079 ( -7.881 0.000 0.174) 7.882 2.088 ( -1.144 0.000 2.738) 2.967 2.257 ( -3.660 0.000 -1.590) 3.991 2.272 ( -0.349 0.000 -0.786) 0.860 2.345 ( 1.496 0.000 1.606) 2.195 2.362 ( -3.222 0.000 -2.430) 4.035 2.457 ( -4.135 0.000 -0.779) 4.208 2.470 ( -1.185 0.000 1.017) 1.561 2.651 ( 6.793 0.000 -0.383) 6.804 2.655 ( 7.138 0.000 -0.101) 7.138 2.824 ( -4.718 0.000 -0.190) 4.722 2.857 ( -1.296 0.000 0.343) 1.341 2.924 ( 6.192 0.000 0.879) 6.254 2.929 ( 3.460 0.000 -0.571) 3.507 3.042 ( 1.529 0.000 0.198) 1.542 3.046 ( 0.583 0.000 -0.648) 0.871 3.764 ( 0.008 0.000 1.771) 1.771 3.807 ( -0.550 0.000 -1.419) 1.522 4.038 ( 1.321 0.000 1.632) 2.100 4.072 ( -1.665 0.000 -2.400) 2.921 4.132 ( -1.625 0.000 0.048) 1.626 4.164 ( 1.082 0.000 -0.595) 1.235 4.340 ( -0.384 0.000 0.333) 0.509 4.350 ( -0.793 0.000 -0.425) 0.900 4.700 ( -2.472 0.000 0.802) 2.599 4.733 ( -4.289 0.000 -0.192) 4.293 4.798 ( 2.653 0.000 -0.301) 2.670 4.847 ( 4.749 0.000 0.239) 4.755 5.165 ( -1.208 0.000 0.519) 1.315 5.199 ( 0.579 0.000 -0.787) 0.977 5.613 ( -0.747 0.000 -0.076) 0.751 5.621 ( 0.090 0.000 -0.102) 0.136 5.870 ( 0.327 0.000 0.110) 0.345 5.871 ( 0.464 0.000 0.285) 0.544 6.050 ( 1.620 0.000 0.795) 1.805 6.055 ( 0.470 0.000 -0.400) 0.617 8.539 ( 0.175 0.000 -0.552) 0.579 8.548 ( 1.334 0.000 -0.493) 1.422 12.746 ( -2.232 0.000 1.657) 2.780 12.814 ( 0.522 0.000 -0.871) 1.016 12.994 ( -1.303 0.000 2.304) 2.647 13.005 ( -0.163 0.000 1.731) 1.739 13.223 ( 0.801 0.000 -1.186) 1.431 13.223 ( -0.486 0.000 -3.001) 3.040 13.405 ( 2.556 0.000 4.063) 4.801 13.437 ( -3.739 0.000 -2.320) 4.400 13.498 ( -1.997 0.000 -0.294) 2.018 13.527 ( 0.212 0.000 -0.749) 0.778 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -9.941 0.000 -9.912) 14.038 0.480 ( -5.759 0.000 1.059) 5.856 0.737 ( 0.105 0.000 -1.988) 1.991 0.789 ( -4.380 0.000 -2.033) 4.829 0.837 ( -2.274 0.000 2.387) 3.297 0.849 ( 0.620 0.000 -2.066) 2.157 0.965 ( -0.699 0.000 2.260) 2.366 1.074 ( 3.015 0.000 1.520) 3.377 1.145 ( -4.128 0.000 -0.053) 4.128 1.212 ( -5.904 0.000 4.267) 7.285 1.243 ( -2.533 0.000 -2.454) 3.527 1.281 ( 0.172 0.000 1.847) 1.855 1.306 ( 6.039 0.000 1.924) 6.338 1.423 ( -1.058 0.000 0.676) 1.255 1.480 ( -1.590 0.000 -0.450) 1.652 1.519 ( 5.063 0.000 -3.280) 6.032 1.562 ( -1.312 0.000 -3.807) 4.026 1.600 ( -5.827 0.000 2.781) 6.457 1.617 ( -0.124 0.000 -0.493) 0.508 1.634 ( -2.299 0.000 -1.039) 2.522 1.765 ( -6.581 0.000 5.808) 8.778 1.813 ( 1.459 0.000 -1.904) 2.398 1.906 ( -1.863 0.000 0.253) 1.880 1.926 ( 2.547 0.000 -4.132) 4.854 1.930 ( -1.697 0.000 1.762) 2.447 2.038 ( -5.595 0.000 -0.111) 5.596 2.168 ( -4.252 0.000 -0.105) 4.254 2.233 ( -2.523 0.000 -0.895) 2.677 2.297 ( -1.562 0.000 -0.914) 1.810 2.393 ( 1.191 0.000 2.472) 2.744 2.434 ( 1.897 0.000 -0.804) 2.060 2.494 ( 2.742 0.000 0.124) 2.745 2.752 ( 1.784 0.000 0.029) 1.785 2.762 ( 5.345 0.000 -0.295) 5.353 2.767 ( 1.327 0.000 0.150) 1.336 2.843 ( -0.297 0.000 -0.138) 0.328 2.966 ( 1.028 0.000 -0.945) 1.397 3.032 ( 4.393 0.000 0.206) 4.398 3.089 ( 6.039 0.000 -0.336) 6.048 3.095 ( 5.064 0.000 0.673) 5.108 3.777 ( -0.740 0.000 -1.528) 1.698 3.786 ( 0.347 0.000 1.571) 1.609 4.028 ( -0.638 0.000 -1.629) 1.749 4.069 ( -1.181 0.000 1.464) 1.881 4.115 ( -0.051 0.000 1.100) 1.101 4.158 ( -0.998 0.000 -0.680) 1.208 4.323 ( -1.539 0.000 -0.449) 1.603 4.331 ( -0.859 0.000 0.045) 0.860 4.649 ( -5.217 0.000 -0.039) 5.217 4.656 ( -3.656 0.000 0.359) 3.673 4.858 ( 4.475 0.000 -0.546) 4.509 4.938 ( 5.442 0.000 0.389) 5.456 5.145 ( -2.169 0.000 0.915) 2.355 5.194 ( -0.155 0.000 -1.029) 1.041 5.597 ( -0.871 0.000 0.074) 0.874 5.624 ( 0.425 0.000 -0.059) 0.429 5.874 ( 0.227 0.000 -0.144) 0.269 5.886 ( 1.055 0.000 0.207) 1.075 6.069 ( 1.775 0.000 -0.604) 1.875 6.096 ( 2.770 0.000 0.375) 2.795 8.550 ( 1.444 0.000 0.138) 1.450 8.574 ( 2.240 0.000 -0.575) 2.313 12.724 ( -3.101 0.000 2.039) 3.711 12.810 ( -0.001 0.000 -0.532) 0.532 12.991 ( -2.232 0.000 2.181) 3.121 13.021 ( 0.396 0.000 0.644) 0.756 13.170 ( -1.559 0.000 -3.753) 4.064 13.211 ( -0.880 0.000 -0.920) 1.273 13.336 ( -4.383 0.000 -2.082) 4.852 13.437 ( -3.537 0.000 0.447) 3.565 13.500 ( 2.092 0.000 2.869) 3.551 13.507 ( -1.485 0.000 -0.803) 1.689 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( -8.940 0.000 1.567) 9.076 0.375 ( -8.407 0.000 4.308) 9.446 0.694 ( -5.006 0.000 -0.195) 5.009 0.734 ( 1.847 0.000 -2.045) 2.756 0.808 ( -6.645 0.000 4.481) 8.015 0.858 ( 4.463 0.000 -3.834) 5.884 0.978 ( -1.424 0.000 2.734) 3.082 1.066 ( -3.918 0.000 -1.397) 4.160 1.081 ( -11.455 0.000 3.659) 12.026 1.130 ( -2.660 0.000 0.842) 2.790 1.173 ( -3.292 0.000 -2.609) 4.200 1.266 ( -2.049 0.000 -1.965) 2.839 1.350 ( -8.504 0.000 -0.596) 8.524 1.426 ( 1.196 0.000 0.001) 1.196 1.458 ( 3.249 0.000 2.696) 4.222 1.504 ( -1.548 0.000 0.171) 1.558 1.540 ( -1.939 0.000 2.459) 3.132 1.548 ( 3.408 0.000 -5.000) 6.051 1.579 ( -5.701 0.000 0.322) 5.710 1.607 ( -0.700 0.000 -1.443) 1.604 1.714 ( 1.774 0.000 0.001) 1.774 1.810 ( 1.246 0.000 -1.175) 1.713 1.850 ( -3.748 0.000 1.824) 4.169 1.888 ( -3.507 0.000 -1.190) 3.703 1.992 ( 1.429 0.000 -2.736) 3.087 2.005 ( 2.939 0.000 1.004) 3.105 2.131 ( -1.095 0.000 1.421) 1.794 2.189 ( -1.563 0.000 -1.192) 1.966 2.292 ( 0.757 0.000 2.238) 2.362 2.418 ( -1.636 0.000 2.139) 2.693 2.482 ( 3.574 0.000 0.526) 3.613 2.549 ( 4.619 0.000 -1.016) 4.729 2.764 ( 1.526 0.000 1.033) 1.842 2.821 ( 2.469 0.000 -0.378) 2.498 2.823 ( 2.476 0.000 0.128) 2.479 2.849 ( 1.728 0.000 -0.552) 1.814 2.947 ( -1.824 0.000 -0.546) 1.904 3.057 ( -0.158 0.000 -1.036) 1.048 3.208 ( 6.546 0.000 0.377) 6.557 3.211 ( 8.128 0.000 -0.186) 8.130 3.759 ( 0.651 0.000 -0.843) 1.065 3.807 ( 0.417 0.000 0.483) 0.638 4.020 ( 0.948 0.000 -0.004) 0.948 4.038 ( -3.364 0.000 1.004) 3.511 4.120 ( -2.229 0.000 -0.690) 2.333 4.149 ( 1.191 0.000 1.651) 2.036 4.292 ( -1.816 0.000 -0.246) 1.832 4.312 ( -1.545 0.000 -0.169) 1.555 4.568 ( -4.383 0.000 0.018) 4.383 4.591 ( -4.180 0.000 -0.097) 4.181 4.924 ( 3.974 0.000 -0.285) 3.984 5.024 ( 4.437 0.000 0.053) 4.438 5.120 ( -2.381 0.000 1.378) 2.751 5.168 ( -1.151 0.000 -1.389) 1.804 5.592 ( -0.094 0.000 0.364) 0.377 5.633 ( 0.802 0.000 -0.235) 0.836 5.875 ( 0.027 0.000 -0.139) 0.141 5.905 ( 0.972 0.000 -0.381) 1.044 6.094 ( 2.034 0.000 -0.684) 2.145 6.141 ( 2.407 0.000 -0.230) 2.418 8.586 ( 1.932 0.000 0.939) 2.148 8.598 ( 1.250 0.000 -0.425) 1.320 12.693 ( -3.678 0.000 2.445) 4.416 12.800 ( -0.901 0.000 0.005) 0.901 12.972 ( -2.038 0.000 -0.141) 2.043 13.030 ( 0.960 0.000 -1.516) 1.794 13.080 ( -4.261 0.000 -1.606) 4.554 13.168 ( -2.935 0.000 -1.160) 3.156 13.274 ( -0.458 0.000 -1.711) 1.772 13.375 ( -4.784 0.000 1.084) 4.905 13.463 ( -2.404 0.000 -1.048) 2.622 13.542 ( 1.147 0.000 -2.319) 2.587 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 3.752 0.000 13.428) 13.943 0.394 ( -0.539 0.000 12.019) 12.031 0.638 ( 0.824 0.000 -1.917) 2.087 0.686 ( -15.107 0.000 9.872) 18.046 0.764 ( 1.700 0.000 -1.549) 2.300 0.866 ( -2.280 0.000 -4.084) 4.677 0.911 ( -9.461 0.000 3.402) 10.054 0.946 ( -0.866 0.000 -1.363) 1.615 1.018 ( -3.436 0.000 1.718) 3.842 1.070 ( -3.123 0.000 -0.169) 3.127 1.084 ( -1.207 0.000 -4.311) 4.477 1.176 ( -4.363 0.000 -3.855) 5.822 1.254 ( -1.732 0.000 0.665) 1.855 1.426 ( -4.523 0.000 -0.003) 4.523 1.480 ( 1.653 0.000 -2.192) 2.745 1.494 ( -0.743 0.000 0.664) 0.996 1.513 ( 0.229 0.000 0.849) 0.879 1.538 ( -1.144 0.000 -1.347) 1.767 1.587 ( 4.128 0.000 -2.145) 4.652 1.625 ( 3.875 0.000 0.229) 3.881 1.757 ( 2.031 0.000 -1.088) 2.305 1.804 ( -3.756 0.000 0.387) 3.775 1.816 ( -0.988 0.000 0.029) 0.988 1.838 ( -0.353 0.000 0.157) 0.386 1.979 ( 1.769 0.000 -2.619) 3.161 2.036 ( -0.605 0.000 2.059) 2.146 2.156 ( 0.922 0.000 2.122) 2.314 2.172 ( 0.581 0.000 0.158) 0.602 2.371 ( 4.093 0.000 2.454) 4.772 2.405 ( -1.956 0.000 1.357) 2.381 2.544 ( 2.301 0.000 1.159) 2.577 2.610 ( 4.038 0.000 -1.394) 4.272 2.816 ( 2.737 0.000 1.212) 2.993 2.847 ( 1.522 0.000 -0.234) 1.540 2.853 ( 1.025 0.000 0.204) 1.045 2.878 ( 2.414 0.000 -1.052) 2.633 2.902 ( -3.269 0.000 0.331) 3.286 3.014 ( -2.332 0.000 -1.541) 2.796 3.297 ( 3.805 0.000 0.053) 3.806 3.326 ( 5.529 0.000 -0.352) 5.541 3.778 ( 1.456 0.000 0.150) 1.463 3.809 ( 0.005 0.000 -0.493) 0.493 3.994 ( -2.621 0.000 0.652) 2.701 4.049 ( 0.676 0.000 0.672) 0.953 4.084 ( -0.587 0.000 0.034) 0.588 4.175 ( -0.112 0.000 0.768) 0.776 4.259 ( -1.678 0.000 -0.064) 1.679 4.276 ( -2.160 0.000 -0.276) 2.177 4.512 ( -2.416 0.000 0.243) 2.428 4.526 ( -3.220 0.000 0.029) 3.221 4.977 ( 2.551 0.000 0.149) 2.555 5.075 ( 1.724 0.000 -0.823) 1.911 5.104 ( -1.674 0.000 1.658) 2.356 5.138 ( -0.134 0.000 -0.786) 0.797 5.599 ( 0.198 0.000 0.509) 0.546 5.641 ( 0.544 0.000 -0.521) 0.753 5.873 ( -0.009 0.000 -0.043) 0.044 5.893 ( -1.403 0.000 -1.090) 1.777 6.119 ( 1.778 0.000 -0.289) 1.801 6.165 ( 1.105 0.000 -0.699) 1.307 8.623 ( 1.874 0.000 1.619) 2.476 8.628 ( 1.264 0.000 1.459) 1.930 12.668 ( -2.984 0.000 2.969) 4.209 12.783 ( -1.393 0.000 0.421) 1.455 12.895 ( -3.178 0.000 -3.853) 4.995 12.977 ( -3.358 0.000 -6.221) 7.069 13.055 ( -0.173 0.000 2.757) 2.762 13.107 ( -2.852 0.000 1.113) 3.062 13.267 ( 1.912 0.000 -2.195) 2.911 13.300 ( -5.627 0.000 0.635) 5.663 13.412 ( -2.041 0.000 -0.867) 2.217 13.463 ( -4.419 0.000 -3.753) 5.797 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -7.548 3.127 6.991) 10.754 0.487 ( 3.783 -1.543 9.152) 10.023 0.627 ( -0.364 -4.562 -2.134) 5.050 0.718 ( 1.177 -1.260 1.009) 1.997 0.733 ( 3.197 -2.142 0.120) 3.850 0.809 ( -1.289 -4.317 -2.539) 5.171 0.882 ( 1.537 1.230 0.631) 2.067 0.938 ( 4.666 -0.705 2.968) 5.575 0.983 ( -1.036 3.441 0.435) 3.620 1.032 ( -2.483 4.259 -0.357) 4.943 1.063 ( -1.829 0.723 0.173) 1.975 1.142 ( 1.635 3.295 -2.276) 4.325 1.246 ( -0.224 -3.586 1.241) 3.801 1.294 ( -1.080 -3.319 -1.869) 3.960 1.407 ( 0.485 -3.823 -2.173) 4.424 1.438 ( 1.006 -1.760 -1.703) 2.648 1.540 ( -0.988 1.173 0.128) 1.539 1.562 ( -0.760 0.811 0.418) 1.187 1.621 ( 0.570 -0.155 0.530) 0.794 1.682 ( 2.487 -1.736 -1.906) 3.582 1.732 ( -0.348 2.850 2.499) 3.806 1.804 ( -0.602 1.452 -0.812) 1.769 1.832 ( -1.714 3.137 -0.213) 3.581 1.864 ( -0.406 3.661 -0.564) 3.727 1.987 ( 1.899 -1.396 3.227) 3.996 2.056 ( 0.847 -0.632 0.340) 1.111 2.180 ( 0.036 -1.179 0.286) 1.214 2.212 ( -0.565 0.135 -1.312) 1.435 2.375 ( -0.764 -0.104 2.365) 2.488 2.420 ( -0.325 0.298 -1.076) 1.163 2.583 ( 0.209 0.718 0.519) 0.910 2.629 ( 1.039 -0.835 -1.520) 2.022 2.840 ( -2.444 0.294 0.628) 2.540 2.863 ( -0.130 0.027 0.075) 0.152 2.867 ( 0.253 0.088 0.094) 0.284 2.875 ( -0.099 -1.137 -0.731) 1.356 2.903 ( 2.327 0.851 0.927) 2.645 2.963 ( 0.985 -1.321 -1.775) 2.422 3.340 ( -0.262 0.532 0.621) 0.858 3.362 ( -0.388 -0.304 -0.372) 0.617 3.790 ( -0.100 0.146 0.488) 0.519 3.804 ( -0.165 -0.201 -0.220) 0.341 3.998 ( 0.867 0.742 0.720) 1.349 4.023 ( -1.329 -0.056 -0.437) 1.400 4.131 ( 2.299 0.227 1.000) 2.518 4.152 ( -1.337 -0.605 -0.082) 1.470 4.247 ( 0.141 0.144 -0.087) 0.219 4.252 ( 0.074 -0.080 -0.293) 0.313 4.499 ( -0.121 0.034 0.335) 0.358 4.500 ( -0.017 0.070 0.280) 0.289 5.026 ( 0.984 1.283 0.507) 1.695 5.061 ( -0.938 0.026 -1.060) 1.415 5.100 ( -0.975 0.007 1.020) 1.411 5.134 ( 1.435 -1.318 -0.510) 2.015 5.612 ( -0.039 0.381 0.483) 0.616 5.633 ( -0.154 -0.412 -0.519) 0.680 5.862 ( -0.793 0.085 0.512) 0.948 5.872 ( 0.036 -0.212 0.079) 0.229 6.144 ( 0.650 0.252 -0.051) 0.698 6.157 ( -0.343 -0.241 -0.770) 0.876 8.654 ( -0.071 0.061 1.352) 1.355 8.672 ( 1.454 -0.653 0.581) 1.697 12.680 ( -1.278 1.165 3.018) 3.478 12.751 ( -0.961 -1.658 1.183) 2.252 12.835 ( 0.046 0.947 -3.377) 3.508 12.864 ( -0.125 -0.192 -2.994) 3.002 13.097 ( 0.743 0.073 0.980) 1.232 13.109 ( 1.165 -0.085 0.884) 1.465 13.233 ( -1.153 0.382 0.981) 1.561 13.271 ( 1.318 -0.716 -0.808) 1.704 13.385 ( -1.419 0.753 0.122) 1.611 13.407 ( -0.861 0.646 -1.241) 1.643 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 2.821 1.585 4.983) 5.942 0.551 ( -3.615 -3.486 -1.031) 5.127 0.652 ( 4.488 -4.796 4.122) 7.755 0.731 ( 2.859 -4.766 -2.926) 6.281 0.815 ( 4.013 0.009 0.314) 4.025 0.856 ( 4.191 -1.896 0.154) 4.602 0.924 ( 3.776 -0.536 -3.413) 5.118 0.950 ( 1.974 -0.659 -3.186) 3.805 1.005 ( 2.157 3.095 1.859) 4.206 1.066 ( 1.424 1.114 1.650) 2.448 1.104 ( 5.082 3.845 2.974) 7.032 1.166 ( 4.328 3.045 -1.152) 5.415 1.243 ( 1.356 -4.831 -0.653) 5.060 1.314 ( 3.434 -2.011 -0.170) 3.983 1.388 ( -0.055 -2.229 -1.170) 2.518 1.425 ( -0.162 -1.921 -0.792) 2.084 1.529 ( -0.481 0.848 0.204) 0.996 1.560 ( -0.414 0.585 1.092) 1.306 1.636 ( 2.065 1.006 -0.851) 2.450 1.689 ( 1.264 -1.210 -2.378) 2.953 1.747 ( -1.926 4.052 1.568) 4.753 1.792 ( 0.393 2.474 0.412) 2.538 1.802 ( -1.463 2.132 0.111) 2.588 1.858 ( -0.047 2.783 0.573) 2.842 2.005 ( -3.036 0.393 -1.045) 3.234 2.063 ( 0.921 -1.359 0.111) 1.645 2.185 ( -0.160 -1.488 -0.125) 1.502 2.193 ( 0.206 -2.007 0.547) 2.091 2.370 ( -2.109 0.852 1.113) 2.532 2.413 ( -0.163 0.218 0.704) 0.755 2.572 ( -1.967 0.481 0.148) 2.030 2.601 ( -1.954 -0.736 -1.555) 2.604 2.803 ( -2.676 0.091 1.268) 2.963 2.838 ( -2.138 -1.270 -0.514) 2.539 2.851 ( -1.524 0.224 0.028) 1.541 2.867 ( -1.031 -0.400 -0.182) 1.121 2.964 ( 3.177 0.250 0.555) 3.235 2.974 ( 2.566 -0.132 -2.261) 3.423 3.301 ( -5.363 0.240 0.793) 5.427 3.309 ( -5.142 -0.057 -0.164) 5.145 3.786 ( -1.718 0.307 -0.253) 1.763 3.792 ( -0.179 0.207 0.406) 0.489 4.018 ( 1.726 0.146 -0.174) 1.741 4.031 ( 1.488 -0.250 0.674) 1.652 4.127 ( -1.154 0.935 -0.573) 1.592 4.175 ( 1.359 -0.744 0.387) 1.597 4.267 ( 2.147 0.028 -0.297) 2.168 4.269 ( 2.368 0.008 -0.106) 2.370 4.516 ( 2.093 0.052 0.067) 2.095 4.523 ( 2.253 -0.163 0.251) 2.273 5.016 ( -2.633 0.484 -0.859) 2.812 5.034 ( -1.651 0.254 0.665) 1.798 5.104 ( 0.558 0.374 0.690) 0.963 5.152 ( 1.745 -1.179 -0.843) 2.268 5.616 ( -0.234 0.079 0.517) 0.572 5.622 ( -0.419 -0.167 -0.437) 0.628 5.862 ( -0.197 0.255 0.514) 0.607 5.875 ( 0.169 -0.270 0.122) 0.342 6.130 ( -1.825 0.272 -0.693) 1.971 6.143 ( -0.788 -0.239 0.057) 0.826 8.652 ( -1.511 0.171 0.551) 1.617 8.674 ( -1.131 -0.710 -0.564) 1.450 12.715 ( 0.851 0.836 3.280) 3.490 12.763 ( 0.919 -1.010 0.376) 1.416 12.833 ( 2.675 0.583 -0.789) 2.849 12.861 ( 2.612 -0.324 -2.529) 3.650 13.117 ( 1.752 0.446 -0.050) 1.808 13.152 ( 3.108 -1.227 -0.844) 3.447 13.238 ( 0.766 1.705 0.152) 1.875 13.299 ( 2.910 -0.939 0.131) 3.061 13.382 ( 0.714 0.834 0.903) 1.421 13.411 ( 1.782 -0.209 -0.072) 1.796 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 1.604 -2.526 -2.722) 4.045 0.583 ( 5.418 -2.184 0.298) 5.849 0.715 ( 4.131 2.187 0.489) 4.700 0.793 ( 0.866 1.968 -4.436) 4.930 0.820 ( 0.059 -0.092 -1.259) 1.263 0.885 ( 1.539 -3.160 0.584) 3.563 0.912 ( 1.783 -2.926 -1.994) 3.965 0.977 ( 3.479 -1.631 0.149) 3.845 1.095 ( 1.461 -0.485 4.078) 4.358 1.108 ( 1.121 -0.669 0.337) 1.348 1.182 ( 3.686 1.941 -1.146) 4.321 1.265 ( 6.215 -0.019 -0.156) 6.217 1.297 ( 2.430 -1.743 0.996) 3.152 1.365 ( 2.293 1.337 0.138) 2.658 1.405 ( 5.099 -1.931 -1.090) 5.560 1.431 ( 0.769 -3.184 0.343) 3.293 1.521 ( -0.945 0.486 0.442) 1.151 1.583 ( 1.489 -1.880 1.022) 2.607 1.645 ( 0.928 3.995 -3.193) 5.198 1.714 ( 3.348 1.558 0.811) 3.781 1.729 ( 1.217 5.096 0.111) 5.240 1.804 ( -1.946 -1.518 1.892) 3.110 1.813 ( 3.614 -0.694 0.484) 3.712 1.876 ( 1.618 1.690 0.555) 2.405 1.911 ( -4.179 2.892 -2.695) 5.752 2.062 ( -0.553 -2.561 -1.241) 2.899 2.195 ( 1.199 0.234 0.243) 1.246 2.205 ( 0.810 -0.543 -0.246) 1.006 2.343 ( -1.940 0.653 0.317) 2.071 2.427 ( 0.453 -1.029 1.263) 1.691 2.528 ( -3.109 0.230 -0.481) 3.154 2.541 ( -2.895 0.006 -1.281) 3.165 2.785 ( -1.318 -0.609 0.833) 1.674 2.800 ( -1.757 -0.699 0.069) 1.893 2.814 ( -2.979 0.293 0.005) 2.994 2.833 ( -2.446 -0.411 -0.624) 2.557 2.981 ( 0.753 0.692 -1.533) 1.843 3.009 ( 1.334 -0.438 0.401) 1.460 3.197 ( -7.629 0.353 0.732) 7.672 3.208 ( -6.747 -0.068 0.327) 6.756 3.750 ( -1.750 1.276 -0.004) 2.166 3.800 ( 0.602 -0.443 0.184) 0.769 4.043 ( -0.667 0.295 0.027) 0.730 4.060 ( 2.813 -0.385 -0.214) 2.847 4.118 ( 1.161 1.389 -0.256) 1.828 4.188 ( 0.495 -1.175 -0.386) 1.332 4.296 ( 1.578 0.194 -0.322) 1.622 4.307 ( 1.834 -0.238 -0.113) 1.853 4.568 ( 4.032 0.132 0.061) 4.035 4.580 ( 4.132 -0.316 0.279) 4.153 4.950 ( -4.135 0.807 -0.746) 4.278 4.993 ( -4.195 -0.750 0.750) 4.327 5.133 ( 1.726 0.625 0.553) 1.917 5.171 ( 1.825 -0.767 -0.965) 2.203 5.612 ( -0.180 0.102 -0.297) 0.362 5.617 ( -0.258 -0.070 0.390) 0.473 5.864 ( -0.181 0.217 0.343) 0.444 5.878 ( -0.198 -0.303 0.230) 0.429 6.087 ( -2.504 0.625 -0.260) 2.594 6.121 ( -1.932 -0.667 0.109) 2.047 8.623 ( -2.030 0.080 -0.282) 2.051 8.633 ( -2.467 -0.275 -0.870) 2.630 12.766 ( 0.630 0.320 2.305) 2.411 12.781 ( 1.533 -0.215 -0.751) 1.721 12.883 ( 2.357 0.116 -0.112) 2.363 12.891 ( 2.698 -0.257 2.035) 3.389 13.154 ( 3.205 0.375 -0.901) 3.350 13.188 ( 2.591 -1.227 -0.739) 2.961 13.260 ( 2.721 2.539 -1.341) 3.956 13.368 ( 4.607 -1.864 0.343) 4.982 13.426 ( 2.406 0.512 1.527) 2.895 13.449 ( 2.843 -0.570 -0.239) 2.909 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 7.218 1.660 -3.571) 8.222 0.643 ( 1.486 -0.840 0.638) 1.822 0.694 ( 0.008 3.990 -6.401) 7.543 0.783 ( 0.416 0.046 -1.430) 1.490 0.835 ( 4.633 3.159 0.562) 5.635 0.915 ( 1.563 -2.219 -2.622) 3.774 0.955 ( 3.753 -6.246 1.981) 7.551 1.042 ( 2.569 -3.566 1.640) 4.691 1.108 ( 0.898 0.797 -1.276) 1.752 1.161 ( 1.063 -1.808 2.292) 3.107 1.212 ( -0.416 0.671 0.779) 1.109 1.291 ( -1.775 -2.045 -0.394) 2.736 1.321 ( 0.234 -3.002 1.794) 3.505 1.379 ( -1.726 -4.096 0.677) 4.496 1.446 ( 1.175 1.686 -0.495) 2.114 1.482 ( 1.086 1.190 -1.121) 1.963 1.529 ( 4.297 2.241 0.334) 4.858 1.599 ( 0.407 1.232 0.356) 1.346 1.649 ( 0.792 1.945 -0.059) 2.101 1.724 ( 0.249 3.087 0.051) 3.097 1.770 ( -4.513 -1.733 1.976) 5.223 1.779 ( -2.511 2.819 0.978) 3.900 1.878 ( 4.982 0.695 0.197) 5.034 1.930 ( 3.804 0.860 -0.967) 4.018 1.958 ( 11.842 -1.214 -0.720) 11.926 2.019 ( -0.509 -3.141 -2.919) 4.318 2.225 ( 3.200 0.543 -1.039) 3.408 2.228 ( 2.847 0.446 -0.325) 2.900 2.323 ( -0.539 2.074 0.222) 2.154 2.444 ( -0.876 -1.719 0.035) 1.930 2.476 ( -2.092 0.354 0.188) 2.130 2.482 ( -1.325 -0.109 -1.629) 2.102 2.747 ( -5.053 0.043 0.069) 5.054 2.752 ( -4.921 0.019 0.385) 4.936 2.787 ( -0.310 -0.172 -0.748) 0.828 2.805 ( 1.065 -0.853 0.893) 1.631 2.956 ( -2.623 0.875 -0.321) 2.784 3.003 ( -2.759 -1.228 0.015) 3.020 3.095 ( -4.928 0.909 0.573) 5.044 3.110 ( -4.943 0.094 0.323) 4.954 3.739 ( 0.017 1.629 0.588) 1.732 3.811 ( 0.650 -1.011 -0.247) 1.227 4.028 ( -0.483 1.808 -0.284) 1.893 4.096 ( 1.892 -1.012 -0.399) 2.183 4.142 ( 1.331 0.429 -0.070) 1.400 4.178 ( -0.545 -0.971 -1.445) 1.824 4.315 ( 1.117 0.250 0.082) 1.148 4.330 ( 1.300 -0.311 0.028) 1.337 4.642 ( 4.438 0.312 0.348) 4.462 4.657 ( 4.561 -0.268 0.191) 4.573 4.870 ( -4.503 0.906 -0.414) 4.612 4.920 ( -5.490 -0.991 0.556) 5.607 5.164 ( 1.153 0.455 0.401) 1.303 5.187 ( 1.326 -0.407 -0.825) 1.614 5.611 ( 0.473 0.158 -0.200) 0.538 5.618 ( 0.029 -0.085 0.142) 0.168 5.864 ( -0.259 0.130 0.275) 0.400 5.872 ( -0.757 -0.156 0.255) 0.814 6.049 ( -1.960 0.615 0.357) 2.085 6.087 ( -2.139 -0.783 0.137) 2.282 8.582 ( -2.069 0.004 -0.842) 2.234 8.586 ( -1.801 -0.088 -0.726) 1.944 12.780 ( -0.828 0.383 0.836) 1.237 12.797 ( 1.376 -0.252 -0.739) 1.582 12.935 ( 1.633 0.240 2.574) 3.058 12.949 ( 0.818 -0.281 2.597) 2.737 13.195 ( 3.053 0.368 -1.184) 3.295 13.225 ( 2.206 -0.970 0.288) 2.427 13.292 ( 3.117 2.889 -1.589) 4.538 13.438 ( 3.831 -2.856 -0.929) 4.867 13.478 ( 1.761 0.120 1.131) 2.096 13.495 ( 2.950 -0.370 -0.456) 3.008 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 1.197 4.634 -2.627) 5.460 0.667 ( 1.880 0.179 -1.725) 2.557 0.690 ( 3.823 -1.123 -0.583) 4.027 0.782 ( 1.663 -0.227 0.004) 1.679 0.886 ( 1.147 -0.162 -0.361) 1.214 0.941 ( 3.918 2.667 -1.394) 4.941 1.020 ( 2.019 -3.525 -0.557) 4.100 1.046 ( -2.652 0.667 -2.932) 4.009 1.127 ( 1.639 -3.887 1.640) 4.526 1.172 ( -0.625 -4.931 0.009) 4.970 1.198 ( -2.464 -1.559 0.997) 3.082 1.247 ( -2.005 -1.491 -0.157) 2.504 1.337 ( -0.388 0.128 1.100) 1.174 1.376 ( 0.401 -2.310 0.940) 2.526 1.454 ( 0.413 1.160 -1.275) 1.773 1.463 ( -0.259 0.535 1.980) 2.068 1.584 ( -0.149 -0.149 0.698) 0.729 1.633 ( 0.777 0.997 -0.724) 1.456 1.668 ( 1.592 1.517 0.567) 2.271 1.711 ( 1.167 5.719 1.293) 5.978 1.732 ( -2.058 0.108 2.041) 2.901 1.779 ( 0.298 1.214 1.511) 1.961 1.872 ( -4.855 -0.078 -2.737) 5.574 1.967 ( 2.767 -2.947 -0.085) 4.043 2.036 ( 3.267 -0.971 -1.400) 3.684 2.093 ( 3.533 -1.824 -0.364) 3.993 2.266 ( 3.261 0.583 -1.182) 3.517 2.292 ( 3.048 -0.451 -1.777) 3.557 2.337 ( 1.050 3.098 0.963) 3.410 2.421 ( -1.126 -0.021 -1.388) 1.787 2.439 ( 2.577 0.756 -0.409) 2.716 2.496 ( 1.676 -1.782 -0.279) 2.462 2.638 ( -7.247 0.210 0.158) 7.251 2.651 ( -5.796 -0.139 -0.066) 5.798 2.820 ( 3.867 0.363 0.315) 3.897 2.845 ( 2.343 -0.579 0.594) 2.485 2.900 ( -3.479 0.330 0.436) 3.521 2.931 ( -4.666 -1.051 -0.238) 4.789 3.052 ( -1.067 1.231 0.245) 1.648 3.066 ( -1.223 0.479 0.003) 1.313 3.756 ( 0.489 1.307 1.026) 1.732 3.814 ( 0.336 -0.887 -0.720) 1.191 4.026 ( 0.367 1.714 0.263) 1.773 4.106 ( -0.221 -1.585 -1.240) 2.025 4.147 ( -0.429 -0.124 -1.027) 1.120 4.153 ( 0.436 -0.078 -0.527) 0.689 4.336 ( 0.883 0.382 0.414) 1.047 4.351 ( 0.947 -0.152 -0.010) 0.959 4.709 ( 2.056 0.536 0.866) 2.295 4.726 ( 3.628 -0.092 -0.188) 3.634 4.809 ( -1.508 0.355 -0.265) 1.572 4.834 ( -5.244 -0.626 0.416) 5.297 5.176 ( -0.029 0.414 0.240) 0.480 5.195 ( 0.658 -0.269 -0.664) 0.972 5.618 ( 0.352 0.032 -0.095) 0.366 5.620 ( 0.142 0.017 -0.071) 0.160 5.863 ( -0.144 -0.043 0.239) 0.282 5.865 ( -0.310 -0.082 0.243) 0.402 6.035 ( -0.470 0.411 0.689) 0.929 6.060 ( -1.109 -0.499 0.032) 1.216 8.549 ( -0.666 0.031 -0.728) 0.987 8.554 ( -0.983 -0.144 -0.785) 1.266 12.771 ( -1.349 0.837 0.941) 1.846 12.807 ( 0.775 -0.518 -0.610) 1.114 12.981 ( -0.056 0.062 2.439) 2.441 12.982 ( 0.116 0.084 2.586) 2.590 13.220 ( 1.637 0.530 -1.164) 2.077 13.253 ( 1.092 -0.517 -1.060) 1.607 13.331 ( 2.496 1.907 0.882) 3.263 13.461 ( 0.720 -2.863 -1.844) 3.481 13.509 ( 0.872 -0.013 0.291) 0.920 13.521 ( 0.935 -0.271 -0.763) 1.237 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -2.657 2.647 0.092) 3.752 0.669 ( 2.052 1.556 -3.300) 4.186 0.748 ( 0.174 -5.138 -0.097) 5.141 0.774 ( -0.945 -2.620 -1.753) 3.291 0.899 ( -4.719 3.053 -2.044) 5.981 0.926 ( 1.856 4.043 -0.080) 4.449 0.974 ( -1.682 -0.078 0.573) 1.779 1.023 ( -0.341 1.333 -2.149) 2.552 1.131 ( -1.175 -4.188 1.691) 4.667 1.178 ( 1.598 -3.204 -0.358) 3.598 1.194 ( -1.199 -4.907 1.801) 5.363 1.228 ( 0.517 -2.657 -0.662) 2.787 1.333 ( -1.320 2.346 0.500) 2.738 1.406 ( 3.373 0.994 -0.803) 3.607 1.470 ( 0.059 -0.872 1.502) 1.738 1.497 ( 1.945 -2.262 0.732) 3.071 1.569 ( -2.137 1.496 0.619) 2.681 1.608 ( -1.033 0.526 0.107) 1.164 1.698 ( -0.860 3.452 0.238) 3.566 1.719 ( -0.256 -1.024 2.647) 2.849 1.760 ( -3.698 1.144 -2.575) 4.649 1.807 ( 0.451 -0.957 2.732) 2.929 1.817 ( 5.929 3.607 0.376) 6.950 1.957 ( 0.549 -1.137 -4.869) 5.030 2.053 ( -2.962 -2.674 2.059) 4.491 2.064 ( -6.494 -1.430 -0.335) 6.658 2.261 ( -3.253 0.272 -1.484) 3.586 2.271 ( -0.972 -0.156 -1.010) 1.410 2.357 ( -0.969 1.238 0.895) 1.809 2.386 ( -0.621 1.456 -0.711) 1.735 2.449 ( -3.314 -0.311 -0.287) 3.341 2.472 ( -1.520 -0.088 0.006) 1.523 2.647 ( 6.911 -0.290 0.061) 6.918 2.651 ( 6.299 -0.249 -0.293) 6.311 2.829 ( -3.883 0.452 -0.038) 3.909 2.853 ( -1.937 -0.426 0.301) 2.006 2.917 ( 5.308 -0.368 0.219) 5.325 2.924 ( 4.120 -0.454 -0.142) 4.147 3.057 ( 0.941 1.161 0.159) 1.503 3.063 ( 1.325 1.108 -0.024) 1.727 3.773 ( -0.018 0.728 1.205) 1.408 3.803 ( -0.449 -0.425 -1.069) 1.235 4.045 ( 0.800 0.579 1.085) 1.467 4.068 ( -1.286 -0.357 -1.733) 2.187 4.132 ( -1.003 0.145 -0.226) 1.039 4.157 ( 0.801 -0.634 -0.775) 1.282 4.344 ( -0.471 0.352 0.315) 0.667 4.352 ( -0.711 0.110 -0.231) 0.755 4.706 ( -2.789 0.518 0.703) 2.923 4.730 ( -4.078 -0.385 0.009) 4.096 4.806 ( 2.971 0.716 -0.200) 3.062 4.841 ( 4.406 -0.612 0.200) 4.453 5.172 ( -0.884 0.583 0.307) 1.102 5.196 ( 0.356 -0.348 -0.615) 0.791 5.614 ( -0.642 0.158 -0.017) 0.661 5.621 ( -0.041 -0.070 -0.064) 0.103 5.867 ( 0.289 -0.204 0.158) 0.387 5.869 ( 0.405 -0.207 0.112) 0.468 6.051 ( 1.439 0.082 0.627) 1.572 6.055 ( 0.641 -0.040 -0.223) 0.679 8.539 ( 0.288 0.026 -0.517) 0.592 8.546 ( 1.085 -0.227 -0.473) 1.206 12.758 ( -1.848 1.145 1.324) 2.546 12.808 ( 0.155 -0.678 -0.475) 0.842 13.000 ( -0.868 0.460 2.216) 2.424 13.008 ( -0.045 0.196 1.751) 1.763 13.219 ( -0.272 0.334 -1.356) 1.423 13.238 ( -0.093 0.534 -2.137) 2.205 13.388 ( 1.489 -1.132 2.481) 3.107 13.417 ( -2.931 -1.707 -2.322) 4.110 13.502 ( -1.716 0.323 -0.064) 1.747 13.521 ( -0.059 -0.499 -0.300) 0.586 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -7.445 3.320 -0.881) 8.199 0.581 ( -5.910 4.925 -4.446) 8.886 0.704 ( 0.179 -2.420 -0.898) 2.588 0.764 ( -2.601 -2.875 -1.019) 4.009 0.821 ( -4.098 -0.291 1.249) 4.294 0.898 ( -1.606 3.042 -1.447) 3.732 0.969 ( -0.305 -1.217 -0.357) 1.304 1.036 ( 2.058 0.267 1.354) 2.478 1.143 ( -3.356 -3.280 2.836) 5.483 1.149 ( -0.957 -3.325 -1.232) 3.673 1.208 ( -0.777 -2.018 1.604) 2.693 1.261 ( 2.376 -2.831 -0.241) 3.704 1.334 ( 1.046 2.378 1.347) 2.927 1.427 ( -1.155 -0.167 -0.513) 1.274 1.467 ( 0.451 -0.008 -1.499) 1.565 1.525 ( -0.412 -1.519 -1.164) 1.958 1.543 ( 0.116 1.353 -1.873) 2.314 1.595 ( -2.319 -0.247 1.628) 2.844 1.654 ( -4.982 2.690 0.489) 5.683 1.687 ( -0.433 3.247 -0.165) 3.280 1.757 ( -3.592 0.488 3.344) 4.932 1.834 ( 0.480 -0.489 0.153) 0.702 1.872 ( -0.755 -1.339 -0.873) 1.768 1.921 ( -5.661 -0.179 -0.110) 5.665 1.932 ( -0.617 -0.777 -2.184) 2.398 1.982 ( -2.359 -3.952 -0.115) 4.604 2.180 ( -3.899 1.015 0.047) 4.029 2.222 ( -2.881 -0.960 -0.313) 3.053 2.341 ( -0.857 3.287 -0.293) 3.410 2.400 ( 0.865 0.474 1.606) 1.885 2.443 ( 2.459 0.757 -0.673) 2.659 2.485 ( 2.858 -0.878 0.000) 2.990 2.743 ( 3.118 -0.244 0.191) 3.133 2.757 ( 5.294 -0.311 0.148) 5.305 2.787 ( 0.310 1.069 -0.329) 1.161 2.830 ( -0.642 -1.065 -0.167) 1.255 2.971 ( 1.749 0.452 -0.750) 1.956 3.008 ( 4.130 -1.465 -0.086) 4.383 3.105 ( 5.119 0.989 0.548) 5.242 3.113 ( 4.905 1.164 -0.039) 5.042 3.779 ( -0.612 0.215 -1.136) 1.308 3.787 ( 0.270 0.004 1.015) 1.050 4.036 ( -0.472 0.693 -1.068) 1.358 4.063 ( -1.023 -0.501 1.143) 1.614 4.119 ( -0.127 0.436 0.624) 0.772 4.149 ( -0.844 -0.774 -0.651) 1.317 4.327 ( -1.456 0.349 -0.333) 1.534 4.333 ( -1.029 0.135 -0.051) 1.039 4.650 ( -4.921 0.128 0.080) 4.923 4.656 ( -4.115 -0.037 0.269) 4.124 4.870 ( 4.583 1.126 -0.379) 4.734 4.926 ( 5.253 -1.077 0.289) 5.370 5.154 ( -1.832 0.804 0.591) 2.086 5.188 ( -0.452 -0.532 -0.778) 1.046 5.602 ( -0.666 0.445 0.103) 0.808 5.622 ( 0.286 -0.261 -0.013) 0.388 5.872 ( 0.232 -0.165 -0.062) 0.292 5.880 ( 0.710 -0.489 0.171) 0.879 6.072 ( 1.868 0.313 -0.513) 1.962 6.091 ( 2.586 -0.395 0.209) 2.625 8.552 ( 1.487 0.178 0.124) 1.503 8.568 ( 1.988 -0.495 -0.349) 2.078 12.739 ( -2.703 1.358 1.654) 3.448 12.801 ( -0.466 -0.933 -0.199) 1.062 13.003 ( -1.578 1.031 1.720) 2.552 13.025 ( 0.394 0.248 0.569) 0.735 13.176 ( -1.916 0.636 -2.836) 3.481 13.208 ( -1.446 -0.318 -1.279) 1.956 13.327 ( -4.348 -0.565 -1.634) 4.679 13.404 ( -2.857 -3.471 0.815) 4.569 13.484 ( -0.903 0.096 1.124) 1.445 13.511 ( -0.544 -0.360 0.136) 0.667 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -5.866 9.086 1.181) 10.879 0.457 ( -6.842 6.424 3.388) 9.978 0.683 ( -5.037 -1.314 -0.379) 5.219 0.704 ( 0.840 -1.966 -0.630) 2.229 0.797 ( -2.145 -1.530 2.701) 3.774 0.861 ( -1.307 -2.685 -1.889) 3.534 0.952 ( 0.188 -0.212 -1.615) 1.639 1.040 ( -5.883 -0.171 0.912) 5.956 1.106 ( -0.045 -0.633 -0.355) 0.727 1.127 ( -4.089 0.809 -0.015) 4.169 1.182 ( -4.544 0.687 2.248) 5.116 1.242 ( -3.691 -0.883 -1.707) 4.161 1.351 ( -4.961 -2.611 -0.269) 5.613 1.386 ( -2.351 -3.323 0.084) 4.071 1.420 ( -0.795 -0.153 -1.790) 1.964 1.477 ( -1.476 -2.135 -0.733) 2.697 1.524 ( 0.270 1.475 0.119) 1.505 1.570 ( -2.686 2.135 0.004) 3.431 1.598 ( 0.047 0.393 0.082) 0.404 1.679 ( -4.091 0.998 0.200) 4.215 1.728 ( 3.063 4.633 0.848) 5.619 1.804 ( -5.517 -3.434 1.153) 6.600 1.857 ( 1.840 3.022 -0.839) 3.636 1.876 ( -0.022 -4.824 -0.118) 4.825 1.902 ( 0.091 -0.892 -0.627) 1.094 2.007 ( 1.269 -2.322 -0.413) 2.678 2.151 ( -0.686 1.603 1.409) 2.242 2.204 ( 0.117 -0.308 1.029) 1.081 2.325 ( -0.233 3.672 -0.125) 3.682 2.424 ( -0.148 0.086 1.212) 1.224 2.495 ( 3.793 1.141 0.102) 3.962 2.545 ( 4.555 -0.530 -0.771) 4.651 2.770 ( 1.553 0.707 0.733) 1.857 2.820 ( 2.210 -0.231 -0.150) 2.227 2.823 ( 2.526 0.017 -0.078) 2.527 2.833 ( 1.757 -1.252 -0.411) 2.197 2.962 ( -1.532 1.292 -0.542) 2.076 3.035 ( -0.118 -1.807 -0.805) 1.982 3.213 ( 6.424 0.449 0.371) 6.451 3.219 ( 7.295 0.455 -0.181) 7.312 3.765 ( 0.403 0.616 -0.656) 0.986 3.803 ( 0.517 -0.556 0.271) 0.806 4.030 ( 0.095 0.681 0.198) 0.716 4.038 ( -2.604 0.023 0.775) 2.717 4.119 ( -1.476 0.060 -0.569) 1.583 4.143 ( 0.927 -0.581 1.279) 1.683 4.298 ( -1.778 0.449 -0.295) 1.858 4.311 ( -1.638 -0.117 -0.223) 1.657 4.571 ( -4.456 0.251 0.032) 4.463 4.586 ( -4.421 -0.432 0.000) 4.442 4.939 ( 4.063 1.397 -0.234) 4.303 5.009 ( 4.372 -1.340 0.032) 4.573 5.129 ( -2.184 0.761 0.890) 2.478 5.161 ( -1.376 -0.580 -1.013) 1.804 5.599 ( 0.016 0.694 0.292) 0.754 5.630 ( 0.736 -0.392 -0.153) 0.848 5.873 ( -0.035 -0.117 -0.056) 0.135 5.890 ( 0.183 -1.050 -0.032) 1.067 6.099 ( 2.109 0.549 -0.605) 2.262 6.133 ( 2.367 -0.704 -0.295) 2.487 8.587 ( 1.865 0.102 0.872) 2.061 8.595 ( 1.447 -0.231 0.048) 1.466 12.709 ( -3.360 1.534 2.067) 4.233 12.787 ( -1.305 -1.310 0.242) 1.865 12.983 ( -2.055 0.985 -0.888) 2.446 13.027 ( 0.356 -0.404 -1.983) 2.055 13.094 ( -4.001 1.313 -1.084) 4.348 13.156 ( -3.278 -1.074 -0.822) 3.546 13.264 ( -1.462 -0.557 -0.782) 1.749 13.341 ( -5.028 -3.266 0.888) 6.061 13.461 ( -2.115 0.335 -0.368) 2.173 13.513 ( -0.076 -1.857 -0.993) 2.108 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 1.141 5.217 6.698) 8.566 0.456 ( -5.084 3.652 8.832) 10.825 0.618 ( -0.330 -2.121 -1.718) 2.749 0.725 ( 0.960 -3.325 0.312) 3.475 0.768 ( -5.793 4.036 5.014) 8.659 0.832 ( -2.614 -2.614 -0.954) 3.818 0.884 ( -6.394 -1.563 1.951) 6.865 0.945 ( -2.168 -1.787 -2.700) 3.896 1.013 ( -5.251 2.696 -0.470) 5.921 1.092 ( -3.396 1.103 -0.122) 3.572 1.115 ( -3.603 2.255 0.014) 4.250 1.166 ( -0.724 0.397 -3.301) 3.403 1.250 ( -3.309 -0.984 0.454) 3.482 1.362 ( -2.740 -4.953 -1.055) 5.758 1.418 ( -0.144 -3.415 -1.943) 3.932 1.430 ( 1.401 -3.221 -0.645) 3.572 1.550 ( 0.165 1.703 -0.193) 1.722 1.575 ( 0.979 0.273 -1.561) 1.863 1.590 ( -0.181 1.910 2.628) 3.254 1.659 ( 2.029 0.262 -1.343) 2.447 1.735 ( -2.714 -0.341 1.037) 2.926 1.802 ( 2.140 1.925 0.562) 2.933 1.850 ( -0.654 0.655 -0.175) 0.941 1.883 ( -1.508 2.209 -0.214) 2.683 1.920 ( 2.639 -2.161 1.394) 3.685 2.022 ( 0.641 -1.836 1.745) 2.613 2.170 ( 0.476 0.926 1.058) 1.485 2.221 ( 0.931 1.389 -0.727) 1.823 2.343 ( 0.722 0.675 2.314) 2.516 2.431 ( 0.523 0.587 -0.644) 1.016 2.554 ( 2.559 0.907 0.488) 2.759 2.604 ( 3.703 -0.670 -1.222) 3.957 2.817 ( 2.800 0.312 0.723) 2.909 2.846 ( 1.698 -0.158 -0.108) 1.709 2.853 ( 1.140 -0.003 0.114) 1.146 2.865 ( 2.282 -0.937 -0.806) 2.595 2.918 ( -3.192 1.442 0.152) 3.506 2.997 ( -2.437 -1.620 -1.130) 3.137 3.303 ( 3.918 0.543 0.130) 3.958 3.324 ( 5.120 -0.212 -0.257) 5.131 3.777 ( 1.049 0.280 0.195) 1.103 3.807 ( 0.112 -0.426 -0.311) 0.539 4.000 ( -2.053 0.629 0.590) 2.226 4.041 ( -0.192 -0.825 0.367) 0.923 4.101 ( 0.011 1.513 0.194) 1.525 4.164 ( -0.129 -1.035 0.697) 1.254 4.263 ( -1.784 0.317 -0.157) 1.819 4.274 ( -2.135 -0.158 -0.271) 2.158 4.514 ( -2.431 0.137 0.208) 2.443 4.523 ( -2.902 -0.265 0.140) 2.918 4.993 ( 2.615 1.491 0.064) 3.011 5.063 ( 2.152 -1.124 -0.443) 2.467 5.108 ( -1.609 0.389 1.064) 1.968 5.130 ( -0.651 -0.603 -0.708) 1.135 5.606 ( 0.179 0.638 0.366) 0.757 5.637 ( 0.419 -0.447 -0.426) 0.747 5.871 ( -0.168 -0.200 0.045) 0.265 5.880 ( -1.116 -0.800 -0.146) 1.381 6.126 ( 1.709 0.590 -0.327) 1.838 6.158 ( 1.223 -0.638 -0.624) 1.514 8.624 ( 1.399 0.129 1.457) 2.024 8.630 ( 1.574 0.028 1.354) 2.076 12.683 ( -2.907 1.454 2.605) 4.165 12.766 ( -1.854 -1.641 0.732) 2.582 12.904 ( -2.845 0.799 -3.935) 4.921 12.955 ( -3.722 -1.632 -5.157) 6.566 13.067 ( -0.513 1.105 2.089) 2.419 13.108 ( -2.044 -0.084 1.190) 2.366 13.247 ( -0.378 -1.079 -0.347) 1.195 13.280 ( -2.970 -1.498 0.731) 3.406 13.418 ( -2.157 0.888 -0.567) 2.401 13.464 ( -2.404 -0.409 -2.792) 3.707 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -3.190 -3.832 1.943) 5.351 0.508 ( -3.190 3.832 1.943) 5.351 0.583 ( 2.644 -6.647 1.213) 7.256 0.583 ( 2.644 6.647 1.213) 7.256 0.743 ( -0.430 -1.693 -1.307) 2.181 0.743 ( -0.430 1.693 -1.307) 2.181 0.906 ( 3.135 -1.430 -0.586) 3.495 0.906 ( 3.135 1.430 -0.586) 3.495 1.056 ( -0.597 -1.870 2.577) 3.239 1.056 ( -0.597 1.870 2.577) 3.239 1.142 ( -2.878 -5.200 0.899) 6.011 1.142 ( -2.878 5.200 0.899) 6.011 1.223 ( 2.242 -4.130 -4.045) 6.201 1.223 ( 2.242 4.130 -4.045) 6.201 1.389 ( -0.380 -2.143 0.861) 2.341 1.389 ( -0.380 2.143 0.861) 2.341 1.558 ( -0.398 -0.647 0.125) 0.770 1.558 ( -0.398 0.647 0.125) 0.770 1.640 ( 1.499 -1.860 -1.146) 2.650 1.640 ( 1.499 1.860 -1.146) 2.650 1.800 ( -0.133 -2.515 1.408) 2.885 1.800 ( -0.133 2.515 1.408) 2.885 1.886 ( -0.721 -1.743 1.976) 2.732 1.886 ( -0.721 1.743 1.976) 2.732 2.016 ( 1.293 -3.175 0.951) 3.558 2.016 ( 1.293 3.175 0.951) 3.558 2.175 ( -1.104 -1.610 -1.366) 2.383 2.175 ( -1.104 1.610 -1.366) 2.383 2.407 ( -0.251 -1.816 0.351) 1.866 2.407 ( -0.251 1.816 0.351) 1.866 2.605 ( 0.679 -1.301 -0.755) 1.650 2.605 ( 0.679 1.301 -0.755) 1.650 2.850 ( -1.198 -0.753 -0.383) 1.466 2.850 ( -1.198 0.753 -0.383) 1.466 2.868 ( -0.022 -0.090 0.314) 0.327 2.868 ( -0.022 0.090 0.314) 0.327 2.931 ( 1.484 -1.664 -0.309) 2.251 2.931 ( 1.484 1.664 -0.309) 2.251 3.352 ( -0.379 -0.611 0.160) 0.736 3.352 ( -0.379 0.611 0.160) 0.736 3.797 ( -0.075 -0.444 0.226) 0.504 3.797 ( -0.075 0.444 0.226) 0.504 4.015 ( -0.052 -0.706 0.148) 0.723 4.015 ( -0.052 0.706 0.148) 0.723 4.139 ( 0.333 -0.583 0.372) 0.768 4.139 ( 0.333 0.583 0.372) 0.768 4.250 ( 0.093 -0.121 -0.196) 0.248 4.250 ( 0.093 0.121 -0.196) 0.248 4.500 ( -0.037 -0.070 0.245) 0.257 4.500 ( -0.037 0.070 0.245) 0.257 5.053 ( 0.014 -0.981 -0.061) 0.983 5.053 ( 0.014 0.981 -0.061) 0.983 5.107 ( 0.233 -0.911 -0.021) 0.941 5.107 ( 0.233 0.911 -0.021) 0.941 5.622 ( -0.165 -0.589 -0.005) 0.612 5.622 ( -0.165 0.589 -0.005) 0.612 5.866 ( -0.231 -0.282 0.303) 0.474 5.866 ( -0.231 0.282 0.303) 0.474 6.151 ( 0.161 -0.358 -0.393) 0.555 6.151 ( 0.161 0.358 -0.393) 0.555 8.660 ( 0.403 -0.476 1.105) 1.269 8.660 ( 0.403 0.476 1.105) 1.269 12.713 ( -1.163 -1.890 2.186) 3.114 12.713 ( -1.163 1.890 2.186) 3.114 12.854 ( 0.311 -0.788 -3.490) 3.591 12.854 ( 0.311 0.788 -3.490) 3.591 13.103 ( 0.761 -0.422 0.676) 1.102 13.103 ( 0.761 0.422 0.676) 1.102 13.250 ( 0.184 -1.124 0.772) 1.376 13.250 ( 0.184 1.124 0.772) 1.376 13.404 ( -0.893 -0.810 -1.026) 1.583 13.404 ( -0.893 0.810 -1.026) 1.583 ======================= Grid point 110 (62/84) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -2.199 -1.940 1.958) 3.526 0.485 ( -2.199 1.940 1.958) 3.526 0.642 ( 6.535 -3.226 -0.545) 7.309 0.642 ( 6.535 3.226 -0.545) 7.309 0.824 ( 5.410 -0.980 0.507) 5.522 0.824 ( 5.410 0.980 0.507) 5.522 0.925 ( 1.885 -0.893 -2.864) 3.543 0.925 ( 1.885 0.893 -2.864) 3.543 1.076 ( -0.868 -2.005 2.447) 3.280 1.076 ( -0.868 2.005 2.447) 3.280 1.153 ( 4.018 -2.528 0.332) 4.758 1.153 ( 4.018 2.528 0.332) 4.758 1.239 ( 4.980 -4.127 -2.748) 7.027 1.239 ( 4.980 4.127 -2.748) 7.027 1.390 ( -0.957 -1.426 0.875) 1.927 1.390 ( -0.957 1.426 0.875) 1.927 1.552 ( -0.883 -1.145 0.563) 1.551 1.552 ( -0.883 1.145 0.563) 1.551 1.663 ( 3.521 -1.466 -1.591) 4.133 1.663 ( 3.521 1.466 -1.591) 4.133 1.797 ( -1.617 -1.301 0.574) 2.153 1.797 ( -1.617 1.301 0.574) 2.153 1.882 ( -2.512 -1.952 1.488) 3.512 1.882 ( -2.512 1.952 1.488) 3.512 2.023 ( -0.326 -1.810 -0.774) 1.995 2.023 ( -0.326 1.810 -0.774) 1.995 2.159 ( 0.517 -0.176 0.350) 0.649 2.159 ( 0.517 0.176 0.350) 0.649 2.402 ( -1.190 -1.431 0.652) 1.972 2.402 ( -1.190 1.431 0.652) 1.972 2.585 ( -1.780 -0.768 -0.879) 2.128 2.585 ( -1.780 0.768 -0.879) 2.128 2.812 ( -2.479 -0.939 0.335) 2.672 2.812 ( -2.479 0.939 0.335) 2.672 2.859 ( -1.365 -0.442 -0.006) 1.435 2.859 ( -1.365 0.442 -0.006) 1.435 2.970 ( 3.005 -0.287 -0.750) 3.111 2.970 ( 3.005 0.287 -0.750) 3.111 3.306 ( -5.300 -0.225 0.371) 5.318 3.306 ( -5.300 0.225 0.371) 5.318 3.792 ( -0.688 -0.201 0.079) 0.721 3.792 ( -0.688 0.201 0.079) 0.721 4.024 ( 1.159 -0.369 0.165) 1.228 4.024 ( 1.159 0.369 0.165) 1.228 4.152 ( 0.507 -1.339 -0.078) 1.434 4.152 ( 0.507 1.339 -0.078) 1.434 4.268 ( 2.249 -0.051 -0.199) 2.258 4.268 ( 2.249 0.051 -0.199) 2.258 4.519 ( 2.099 -0.215 0.132) 2.114 4.519 ( 2.099 0.215 0.132) 2.114 5.029 ( -2.591 -0.638 -0.065) 2.669 5.029 ( -2.591 0.638 -0.065) 2.669 5.123 ( 1.603 -1.419 -0.134) 2.145 5.123 ( 1.603 1.419 -0.134) 2.145 5.618 ( -0.340 -0.184 0.097) 0.398 5.618 ( -0.340 0.184 0.097) 0.398 5.868 ( -0.003 -0.363 0.261) 0.447 5.868 ( -0.003 0.363 0.261) 0.447 6.137 ( -1.311 -0.359 -0.324) 1.397 6.137 ( -1.311 0.359 -0.324) 1.397 8.660 ( -1.338 -0.590 0.207) 1.477 8.660 ( -1.338 0.590 0.207) 1.477 12.738 ( 0.891 -1.307 2.130) 2.653 12.738 ( 0.891 1.307 2.130) 2.653 12.848 ( 2.632 -0.801 -2.111) 3.468 12.848 ( 2.632 0.801 -2.111) 3.468 13.131 ( 2.325 -0.854 -0.421) 2.513 13.131 ( 2.325 0.854 -0.421) 2.513 13.273 ( 1.855 -1.558 0.285) 2.439 13.273 ( 1.855 1.558 0.285) 2.439 13.401 ( 1.096 -0.794 0.162) 1.363 13.401 ( 1.096 0.794 0.162) 1.363 ======================= Grid point 112 (63/84) ======================= q-point: ( 0.22 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 3.796 -3.765 0.757) 5.399 0.513 ( 3.796 3.765 0.757) 5.399 0.752 ( 5.745 -2.001 -0.367) 6.095 0.752 ( 5.745 2.001 -0.367) 6.095 0.852 ( 0.027 -1.740 -1.680) 2.418 0.852 ( 0.027 1.740 -1.680) 2.418 0.919 ( 1.111 -3.059 -1.682) 3.664 0.919 ( 1.111 3.059 -1.682) 3.664 1.101 ( 0.755 -0.485 2.120) 2.302 1.101 ( 0.755 0.485 2.120) 2.302 1.221 ( 2.581 -2.380 0.122) 3.513 1.221 ( 2.581 2.380 0.122) 3.513 1.325 ( 3.107 -3.423 -1.131) 4.759 1.325 ( 3.107 3.423 -1.131) 4.759 1.399 ( 5.679 -0.953 -0.621) 5.792 1.399 ( 5.679 0.953 -0.621) 5.792 1.547 ( -0.840 -1.604 1.178) 2.160 1.547 ( -0.840 1.604 1.178) 2.160 1.719 ( 3.964 -2.244 -1.474) 4.788 1.719 ( 3.964 2.244 -1.474) 4.788 1.767 ( -1.169 -0.883 0.906) 1.723 1.767 ( -1.169 0.883 0.906) 1.723 1.864 ( -0.113 -3.472 0.658) 3.536 1.864 ( -0.113 3.472 0.658) 3.536 1.991 ( -1.626 -4.181 -1.920) 4.879 1.991 ( -1.626 4.181 -1.920) 4.879 2.191 ( 1.851 -0.150 0.827) 2.033 2.191 ( 1.851 0.150 0.827) 2.033 2.387 ( -1.193 -2.704 0.569) 3.010 2.387 ( -1.193 2.704 0.569) 3.010 2.536 ( -2.625 -0.442 -0.899) 2.810 2.536 ( -2.625 0.442 -0.899) 2.810 2.784 ( -1.526 -0.536 0.503) 1.694 2.784 ( -1.526 0.536 0.503) 1.694 2.823 ( -2.723 -0.504 -0.262) 2.781 2.823 ( -2.723 0.504 -0.262) 2.781 2.997 ( 0.990 -0.740 -0.645) 1.394 2.997 ( 0.990 0.740 -0.645) 1.394 3.205 ( -7.174 -0.294 0.687) 7.213 3.205 ( -7.174 0.294 0.687) 7.213 3.781 ( -0.515 -1.442 -0.043) 1.532 3.781 ( -0.515 1.442 -0.043) 1.532 4.051 ( 1.552 -0.435 0.027) 1.612 4.051 ( 1.552 0.435 0.027) 1.612 4.155 ( 0.491 -1.919 -0.478) 2.038 4.155 ( 0.491 1.919 -0.478) 2.038 4.301 ( 1.652 -0.314 -0.214) 1.695 4.301 ( 1.652 0.314 -0.214) 1.695 4.573 ( 4.119 -0.307 0.189) 4.135 4.573 ( 4.119 0.307 0.189) 4.135 4.972 ( -4.280 -1.223 0.012) 4.451 4.972 ( -4.280 1.223 0.012) 4.451 5.151 ( 1.891 -1.084 -0.213) 2.191 5.151 ( 1.891 1.084 -0.213) 2.191 5.615 ( -0.230 -0.160 0.124) 0.307 5.615 ( -0.230 0.160 0.124) 0.307 5.870 ( -0.135 -0.381 0.205) 0.453 5.870 ( -0.135 0.381 0.205) 0.453 6.103 ( -2.248 -0.932 -0.105) 2.436 6.103 ( -2.248 0.932 -0.105) 2.436 8.627 ( -2.241 -0.290 -0.459) 2.306 8.627 ( -2.241 0.290 -0.459) 2.306 12.774 ( 1.011 -0.404 0.818) 1.362 12.774 ( 1.011 0.404 0.818) 1.362 12.886 ( 2.665 -0.205 0.843) 2.802 12.886 ( 2.665 0.205 0.843) 2.802 13.167 ( 2.875 -0.878 -0.729) 3.093 13.167 ( 2.875 0.878 -0.729) 3.093 13.317 ( 3.884 -2.894 -1.066) 4.960 13.317 ( 3.884 2.894 -1.066) 4.960 13.437 ( 2.234 -0.585 0.962) 2.502 13.437 ( 2.234 0.585 0.962) 2.502 ======================= Grid point 114 (64/84) ======================= q-point: ( 0.33 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 5.076 -3.381 0.523) 6.121 0.604 ( 5.076 3.381 0.523) 6.121 0.763 ( 0.333 -3.241 -3.861) 5.052 0.763 ( 0.333 3.241 -3.861) 5.052 0.859 ( 1.007 -1.879 0.360) 2.162 0.859 ( 1.007 1.879 0.360) 2.162 0.951 ( 5.069 -4.349 -0.577) 6.704 0.951 ( 5.069 4.349 -0.577) 6.704 1.133 ( 0.049 -1.224 0.549) 1.342 1.133 ( 0.049 1.224 0.549) 1.342 1.239 ( -1.343 -2.080 0.266) 2.490 1.239 ( -1.343 2.080 0.266) 2.490 1.310 ( -0.694 -1.751 1.043) 2.153 1.310 ( -0.694 1.751 1.043) 2.153 1.486 ( 2.044 -1.373 -0.957) 2.642 1.486 ( 2.044 1.373 -0.957) 2.642 1.567 ( 2.181 -1.803 0.805) 2.942 1.567 ( 2.181 1.803 0.805) 2.942 1.708 ( -1.504 -3.473 0.598) 3.832 1.708 ( -1.504 3.473 0.598) 3.832 1.810 ( 0.737 -1.977 1.910) 2.846 1.810 ( 0.737 1.977 1.910) 2.846 1.911 ( 0.394 -2.618 -1.893) 3.255 1.911 ( 0.394 2.618 -1.893) 3.255 1.957 ( 6.443 -2.005 -2.212) 7.101 1.957 ( 6.443 2.005 -2.212) 7.101 2.230 ( 2.984 -0.059 -0.528) 3.031 2.230 ( 2.984 0.059 -0.528) 3.031 2.387 ( 0.228 -3.521 0.850) 3.629 2.387 ( 0.228 3.521 0.850) 3.629 2.482 ( -2.408 -0.115 -1.055) 2.632 2.482 ( -2.408 0.115 -1.055) 2.632 2.750 ( -5.133 -0.226 0.230) 5.143 2.750 ( -5.133 0.226 0.230) 5.143 2.789 ( 0.717 -0.496 0.214) 0.898 2.789 ( 0.717 0.496 0.214) 0.898 2.978 ( -2.802 -1.188 -0.315) 3.060 2.978 ( -2.802 1.188 -0.315) 3.060 3.109 ( -4.826 -0.362 0.757) 4.898 3.109 ( -4.826 0.362 0.757) 4.898 3.779 ( 0.350 -1.988 0.016) 2.018 3.779 ( 0.350 1.988 0.016) 2.018 4.068 ( 0.719 -1.782 -0.328) 1.949 4.068 ( 0.719 1.782 -0.328) 1.949 4.156 ( 0.425 -0.983 -0.935) 1.422 4.156 ( 0.425 0.983 -0.935) 1.422 4.322 ( 1.210 -0.418 0.155) 1.289 4.322 ( 1.210 0.418 0.155) 1.289 4.650 ( 4.595 -0.370 0.299) 4.620 4.650 ( 4.595 0.370 0.299) 4.620 4.894 ( -5.055 -1.372 0.123) 5.239 4.894 ( -5.055 1.372 0.123) 5.239 5.176 ( 1.277 -0.660 -0.202) 1.451 5.176 ( 1.277 0.660 -0.202) 1.451 5.615 ( 0.198 -0.199 0.030) 0.282 5.615 ( 0.198 0.199 0.030) 0.282 5.868 ( -0.414 -0.246 0.166) 0.510 5.868 ( -0.414 0.246 0.166) 0.510 6.067 ( -2.063 -1.058 0.232) 2.330 6.067 ( -2.063 1.058 0.232) 2.330 8.583 ( -1.957 -0.128 -0.745) 2.098 8.583 ( -1.957 0.128 -0.745) 2.098 12.789 ( 0.297 -0.463 0.111) 0.561 12.789 ( 0.297 0.463 0.111) 0.561 12.942 ( 1.241 -0.379 2.595) 2.902 12.942 ( 1.241 0.379 2.595) 2.902 13.207 ( 2.616 -0.752 -0.359) 2.745 13.207 ( 2.616 0.752 -0.359) 2.745 13.365 ( 3.833 -3.924 -2.052) 5.857 13.365 ( 3.833 3.924 -2.052) 5.857 13.485 ( 2.072 -0.485 0.733) 2.250 13.485 ( 2.072 0.485 0.733) 2.250 ======================= Grid point 116 (65/84) ======================= q-point: ( 0.44 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -0.403 -1.742 0.728) 1.931 0.650 ( -0.403 1.742 0.728) 1.931 0.731 ( 1.384 -4.602 -3.836) 6.149 0.731 ( 1.384 4.602 -3.836) 6.149 0.913 ( 4.791 -3.628 1.171) 6.123 0.913 ( 4.791 3.628 1.171) 6.123 1.034 ( 3.969 -4.277 -0.014) 5.835 1.034 ( 3.969 4.277 -0.014) 5.835 1.087 ( -3.558 -3.086 -1.809) 5.046 1.087 ( -3.558 3.086 -1.809) 5.046 1.205 ( -2.503 -1.987 -0.176) 3.200 1.205 ( -2.503 1.987 -0.176) 3.200 1.343 ( 0.905 -0.747 2.813) 3.048 1.343 ( 0.905 0.747 2.813) 3.048 1.476 ( -0.489 -0.198 -0.962) 1.098 1.476 ( -0.489 0.198 -0.962) 1.098 1.603 ( 0.607 -2.354 1.139) 2.684 1.603 ( 0.607 2.354 1.139) 2.684 1.704 ( 0.183 -2.390 -0.155) 2.402 1.704 ( 0.183 2.390 -0.155) 2.402 1.817 ( -2.643 -2.671 0.693) 3.821 1.817 ( -2.643 2.671 0.693) 3.821 1.880 ( 1.409 -4.324 -0.494) 4.574 1.880 ( 1.409 4.324 -0.494) 4.574 2.050 ( 3.570 -2.070 -1.176) 4.291 2.050 ( 3.570 2.070 -1.176) 4.291 2.280 ( 3.064 -0.673 -1.582) 3.513 2.280 ( 3.064 0.673 -1.582) 3.513 2.400 ( -0.291 -2.390 0.340) 2.432 2.400 ( -0.291 2.390 0.340) 2.432 2.459 ( 2.189 -1.338 -0.651) 2.647 2.459 ( 2.189 1.338 -0.651) 2.647 2.645 ( -6.445 -0.406 0.052) 6.458 2.645 ( -6.445 0.406 0.052) 6.458 2.831 ( 3.226 -0.713 0.579) 3.354 2.831 ( 3.226 0.713 0.579) 3.354 2.912 ( -4.071 -0.782 -0.022) 4.145 2.912 ( -4.071 0.782 -0.022) 4.145 3.069 ( -1.173 -0.323 0.483) 1.309 3.069 ( -1.173 0.323 0.483) 1.309 3.788 ( 0.455 -1.606 0.018) 1.669 3.788 ( 0.455 1.606 0.018) 1.669 4.068 ( -0.080 -2.095 -0.535) 2.164 4.068 ( -0.080 2.095 -0.535) 2.164 4.148 ( 0.168 -0.231 -0.934) 0.977 4.148 ( 0.168 0.231 -0.934) 0.977 4.345 ( 0.944 -0.414 0.330) 1.083 4.345 ( 0.944 0.414 0.330) 1.083 4.720 ( 3.054 -0.440 0.348) 3.106 4.720 ( 3.054 0.440 0.348) 3.106 4.820 ( -3.593 -0.701 0.161) 3.664 4.820 ( -3.593 0.701 0.161) 3.664 5.186 ( 0.346 -0.504 -0.209) 0.646 5.186 ( 0.346 0.504 -0.209) 0.646 5.620 ( 0.212 -0.076 -0.027) 0.227 5.620 ( 0.212 0.076 -0.027) 0.227 5.863 ( -0.245 -0.049 0.116) 0.276 5.863 ( -0.245 0.049 0.116) 0.276 6.047 ( -0.737 -0.719 0.393) 1.102 6.047 ( -0.737 0.719 0.393) 1.102 8.551 ( -0.856 -0.134 -0.745) 1.143 8.551 ( -0.856 0.134 -0.745) 1.143 12.791 ( -0.265 -0.986 0.242) 1.049 12.791 ( -0.265 0.986 0.242) 1.049 12.983 ( 0.128 -0.044 2.567) 2.571 12.983 ( 0.128 0.044 2.567) 2.571 13.236 ( 1.283 -0.957 -0.419) 1.654 13.236 ( 1.283 0.957 -0.419) 1.654 13.390 ( 1.938 -3.609 -1.760) 4.459 13.390 ( 1.938 3.609 -1.760) 4.459 13.513 ( 0.627 -0.379 0.078) 0.737 13.513 ( 0.627 0.379 0.078) 0.737 ======================= Grid point 118 (66/84) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -2.986 -4.950 0.831) 5.841 0.627 ( -2.986 4.950 0.831) 5.841 0.721 ( 1.377 -2.352 -2.403) 3.633 0.721 ( 1.377 2.352 -2.403) 3.633 0.960 ( -5.435 -2.273 -1.921) 6.196 0.960 ( -5.435 2.273 -1.921) 6.196 1.010 ( 4.031 -4.029 0.658) 5.737 1.010 ( 4.031 4.029 0.658) 5.737 1.105 ( -1.445 -2.297 1.853) 3.286 1.105 ( -1.445 2.297 1.853) 3.286 1.157 ( 1.013 -2.424 -1.986) 3.294 1.157 ( 1.013 2.424 -1.986) 3.294 1.388 ( 0.915 -2.587 1.851) 3.310 1.388 ( 0.915 2.587 1.851) 3.310 1.467 ( 0.963 -1.065 -1.064) 1.787 1.467 ( 0.963 1.065 -1.064) 1.787 1.616 ( -1.261 -1.845 1.410) 2.643 1.616 ( -1.261 1.845 1.410) 2.643 1.700 ( 0.747 -1.736 -1.040) 2.158 1.700 ( 0.747 1.736 -1.040) 2.158 1.791 ( -1.894 -1.485 2.208) 3.265 1.791 ( -1.894 1.485 2.208) 3.265 1.907 ( 2.424 -3.952 -1.722) 4.946 1.907 ( 2.424 3.952 -1.722) 4.946 2.031 ( -5.136 -1.125 -0.267) 5.265 2.031 ( -5.136 1.125 -0.267) 5.265 2.266 ( -2.119 -0.255 -1.364) 2.533 2.266 ( -2.119 0.255 -1.364) 2.533 2.387 ( -1.472 -1.282 0.897) 2.148 2.387 ( -1.472 1.282 0.897) 2.148 2.460 ( -1.536 -1.033 -0.705) 1.981 2.460 ( -1.536 1.033 -0.705) 1.981 2.646 ( 6.288 -0.213 0.038) 6.291 2.646 ( 6.288 0.213 0.038) 6.291 2.841 ( -2.879 -0.637 0.161) 2.953 2.841 ( -2.879 0.637 0.161) 2.953 2.915 ( 4.671 -0.243 -0.033) 4.678 2.915 ( 4.671 0.243 -0.033) 4.678 3.074 ( 1.141 -0.204 0.316) 1.201 3.074 ( 1.141 0.204 0.316) 1.201 3.790 ( -0.196 -0.820 -0.039) 0.844 3.790 ( -0.196 0.820 -0.039) 0.844 4.058 ( -0.343 -0.599 -0.267) 0.740 4.058 ( -0.343 0.599 -0.267) 0.740 4.142 ( 0.095 -0.724 -0.711) 1.019 4.142 ( 0.095 0.724 -0.711) 1.019 4.351 ( -0.593 -0.219 0.115) 0.643 4.351 ( -0.593 0.219 0.115) 0.643 4.718 ( -3.476 -0.658 0.407) 3.561 4.718 ( -3.476 0.658 0.407) 3.561 4.824 ( 3.669 -0.921 0.031) 3.783 4.824 ( 3.669 0.921 0.031) 3.783 5.185 ( -0.218 -0.649 -0.175) 0.707 5.185 ( -0.218 0.649 -0.175) 0.707 5.618 ( -0.355 -0.194 0.010) 0.405 5.618 ( -0.355 0.194 0.010) 0.405 5.865 ( 0.303 -0.077 0.072) 0.320 5.865 ( 0.303 0.077 0.072) 0.320 6.053 ( 1.034 -0.123 0.206) 1.062 6.053 ( 1.034 0.123 0.206) 1.062 8.541 ( 0.621 -0.162 -0.468) 0.795 8.541 ( 0.621 0.162 -0.468) 0.795 12.786 ( -0.849 -1.376 0.458) 1.681 12.786 ( -0.849 1.376 0.458) 1.681 13.008 ( -0.156 -0.244 1.947) 1.969 13.008 ( -0.156 0.244 1.947) 1.969 13.234 ( -0.513 -0.844 -1.067) 1.454 13.234 ( -0.513 0.844 -1.067) 1.454 13.384 ( -0.874 -0.996 -1.021) 1.673 13.384 ( -0.874 0.996 -1.021) 1.673 13.510 ( -0.870 -0.492 0.133) 1.008 13.510 ( -0.870 0.492 0.133) 1.008 ======================= Grid point 120 (67/84) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -4.440 -5.983 1.463) 7.593 0.582 ( -4.440 5.983 1.463) 7.593 0.693 ( -1.414 -2.544 -1.940) 3.497 0.693 ( -1.414 2.544 -1.940) 3.497 0.859 ( -5.049 -3.808 -0.529) 6.346 0.859 ( -5.049 3.808 -0.529) 6.346 1.028 ( -0.295 -5.194 -2.713) 5.867 1.028 ( -0.295 5.194 -2.713) 5.867 1.098 ( 1.392 -3.095 1.738) 3.813 1.098 ( 1.392 3.095 1.738) 3.813 1.193 ( 1.076 -1.674 1.390) 2.428 1.193 ( 1.076 1.674 1.390) 2.428 1.398 ( -0.955 -3.022 -0.993) 3.321 1.398 ( -0.955 3.022 -0.993) 3.321 1.482 ( 1.191 -1.738 -0.136) 2.111 1.482 ( 1.191 1.738 -0.136) 2.111 1.586 ( -2.739 -1.358 -0.131) 3.059 1.586 ( -2.739 1.358 -0.131) 3.059 1.704 ( -1.544 -3.113 0.449) 3.504 1.704 ( -1.544 3.113 0.449) 3.504 1.796 ( -0.801 -3.283 2.037) 3.945 1.796 ( -0.801 3.283 2.037) 3.945 1.873 ( -7.407 -1.863 -0.091) 7.638 1.873 ( -7.407 1.863 -0.091) 7.638 1.939 ( 0.793 -1.227 -2.064) 2.528 1.939 ( 0.793 1.227 -2.064) 2.528 2.201 ( -3.297 -1.011 0.094) 3.450 2.201 ( -3.297 1.011 0.094) 3.450 2.395 ( 0.046 -1.437 0.952) 1.724 2.395 ( 0.046 1.437 0.952) 1.724 2.462 ( 3.041 -1.113 -0.653) 3.303 2.462 ( 3.041 1.113 -0.653) 3.303 2.748 ( 4.655 -0.565 0.278) 4.697 2.748 ( 4.655 0.565 0.278) 4.697 2.807 ( -0.655 -1.050 -0.297) 1.272 2.807 ( -0.655 1.050 -0.297) 1.272 2.984 ( 3.072 -0.860 -0.397) 3.215 2.984 ( 3.072 0.860 -0.397) 3.215 3.122 ( 4.576 -0.337 0.276) 4.597 3.122 ( 4.576 0.337 0.276) 4.597 3.785 ( -0.147 -0.264 -0.145) 0.336 3.785 ( -0.147 0.264 -0.145) 0.336 4.051 ( -0.604 -0.669 0.170) 0.918 4.051 ( -0.604 0.669 0.170) 0.918 4.132 ( -0.456 -0.795 -0.240) 0.948 4.132 ( -0.456 0.795 -0.240) 0.948 4.333 ( -1.287 -0.167 -0.186) 1.312 4.333 ( -1.287 0.167 -0.186) 1.312 4.654 ( -4.590 -0.176 0.189) 4.598 4.654 ( -4.590 0.176 0.189) 4.598 4.898 ( 4.885 -1.528 -0.014) 5.118 4.898 ( 4.885 1.528 -0.014) 5.118 5.173 ( -1.134 -0.897 -0.129) 1.452 5.173 ( -1.134 0.897 -0.129) 1.452 5.613 ( -0.165 -0.538 0.085) 0.569 5.613 ( -0.165 0.538 0.085) 0.569 5.872 ( 0.328 -0.215 0.071) 0.399 5.872 ( 0.328 0.215 0.071) 0.399 6.081 ( 2.189 -0.524 -0.187) 2.259 6.081 ( 2.189 0.524 -0.187) 2.259 8.558 ( 1.650 -0.418 -0.013) 1.702 8.558 ( 1.650 0.418 -0.013) 1.702 12.773 ( -1.627 -1.750 0.708) 2.492 12.773 ( -1.627 1.750 0.708) 2.492 13.022 ( -0.237 -0.606 0.832) 1.056 13.022 ( -0.237 0.606 0.832) 1.056 13.195 ( -2.235 -0.974 -1.730) 2.990 13.195 ( -2.235 0.974 -1.730) 2.990 13.337 ( -3.722 -2.062 -0.190) 4.259 13.337 ( -3.722 2.062 -0.190) 4.259 13.497 ( -1.053 -0.847 0.400) 1.409 13.497 ( -1.053 0.847 0.400) 1.409 ======================= Grid point 122 (68/84) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -4.394 -5.088 0.662) 6.755 0.511 ( -4.394 5.088 0.662) 6.755 0.666 ( -3.129 -1.640 1.868) 3.997 0.666 ( -3.129 1.640 1.868) 3.997 0.777 ( -2.595 -2.106 -0.222) 3.349 0.777 ( -2.595 2.106 -0.222) 3.349 1.002 ( 0.454 -3.424 -3.402) 4.849 1.002 ( 0.454 3.424 -3.402) 4.849 1.123 ( -2.198 -1.663 1.671) 3.223 1.123 ( -2.198 1.663 1.671) 3.223 1.209 ( -1.043 -2.691 0.845) 3.007 1.209 ( -1.043 2.691 0.845) 3.007 1.327 ( -5.800 -1.792 -0.693) 6.110 1.327 ( -5.800 1.792 -0.693) 6.110 1.440 ( -3.492 -1.093 -2.461) 4.410 1.440 ( -3.492 1.093 -2.461) 4.410 1.576 ( 1.350 -2.051 0.168) 2.461 1.576 ( 1.350 2.051 0.168) 2.461 1.638 ( -4.907 -4.559 1.340) 6.831 1.638 ( -4.907 4.559 1.340) 6.831 1.779 ( -1.626 -2.328 0.481) 2.881 1.779 ( -1.626 2.328 0.481) 2.881 1.846 ( 1.096 -3.921 1.517) 4.344 1.846 ( 1.096 3.921 1.517) 4.344 1.942 ( 1.143 -3.570 -0.980) 3.875 1.942 ( 1.143 3.570 -0.980) 3.875 2.182 ( -0.367 -1.402 1.311) 1.954 2.182 ( -0.367 1.402 1.311) 1.954 2.400 ( 0.415 -2.713 -0.210) 2.753 2.400 ( 0.415 2.713 -0.210) 2.753 2.523 ( 4.257 -1.448 -0.302) 4.507 2.523 ( 4.257 1.448 -0.302) 4.507 2.795 ( 1.653 -1.623 0.181) 2.323 2.795 ( 1.653 1.623 0.181) 2.323 2.823 ( 2.347 -0.057 -0.211) 2.357 2.823 ( 2.347 0.057 -0.211) 2.357 2.996 ( -0.780 -1.909 -0.594) 2.146 2.996 ( -0.780 1.909 -0.594) 2.146 3.222 ( 6.506 -0.235 0.120) 6.511 3.222 ( 6.506 0.235 0.120) 6.511 3.784 ( 0.375 -1.145 -0.209) 1.223 3.784 ( 0.375 1.145 -0.209) 1.223 4.038 ( -1.474 -0.126 0.490) 1.558 4.038 ( -1.474 0.126 0.490) 1.558 4.128 ( 0.095 -0.733 0.255) 0.782 4.128 ( 0.095 0.733 0.255) 0.782 4.306 ( -1.748 -0.344 -0.296) 1.806 4.306 ( -1.748 0.344 -0.296) 1.806 4.577 ( -4.555 -0.359 0.048) 4.569 4.577 ( -4.555 0.359 0.048) 4.569 4.975 ( 4.242 -1.903 -0.097) 4.650 4.975 ( 4.242 1.903 -0.097) 4.650 5.146 ( -1.808 -0.861 -0.104) 2.005 5.146 ( -1.808 0.861 -0.104) 2.005 5.616 ( 0.365 -0.865 0.087) 0.943 5.616 ( 0.365 0.865 0.087) 0.943 5.874 ( -0.167 -0.397 0.096) 0.441 5.874 ( -0.167 0.397 0.096) 0.441 6.115 ( 2.260 -0.929 -0.452) 2.485 6.115 ( 2.260 0.929 -0.452) 2.485 8.590 ( 1.718 -0.207 0.622) 1.839 8.590 ( 1.718 0.207 0.622) 1.839 12.749 ( -2.428 -2.164 1.112) 3.437 12.749 ( -2.428 2.164 1.112) 3.437 13.008 ( -1.334 -1.316 -2.038) 2.768 13.008 ( -1.334 1.316 -2.038) 2.768 13.127 ( -3.550 -1.673 -0.567) 3.965 13.127 ( -3.550 1.673 -0.567) 3.965 13.277 ( -3.379 -2.192 0.732) 4.094 13.277 ( -3.379 2.192 0.732) 4.094 13.480 ( -1.251 -1.359 -0.371) 1.884 13.480 ( -1.251 1.359 -0.371) 1.884 ======================= Grid point 124 (69/84) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 1.766 -4.488 1.648) 5.097 0.500 ( 1.766 4.488 1.648) 5.097 0.583 ( -7.231 -3.723 1.556) 8.281 0.583 ( -7.231 3.723 1.556) 8.281 0.811 ( 2.535 -0.740 1.442) 3.009 0.811 ( 2.535 0.740 1.442) 3.009 0.903 ( -7.218 -2.727 -2.858) 8.228 0.903 ( -7.218 2.727 -2.858) 8.228 1.069 ( -4.144 -2.321 1.692) 5.042 1.069 ( -4.144 2.321 1.692) 5.042 1.179 ( -2.007 -2.646 0.069) 3.322 1.179 ( -2.007 2.646 0.069) 3.322 1.257 ( -1.736 -4.366 -1.858) 5.053 1.257 ( -1.736 4.366 -1.858) 5.053 1.389 ( -0.112 -0.891 -0.999) 1.343 1.389 ( -0.112 0.891 -0.999) 1.343 1.569 ( -0.840 -0.925 -0.576) 1.376 1.569 ( -0.840 0.925 -0.576) 1.376 1.629 ( 0.610 -2.157 0.537) 2.305 1.629 ( 0.610 2.157 0.537) 2.305 1.778 ( 0.221 -3.490 1.232) 3.708 1.778 ( 0.221 3.490 1.232) 3.708 1.874 ( -0.116 -1.285 1.506) 1.983 1.874 ( -0.116 1.285 1.506) 1.983 1.969 ( 1.861 -3.314 1.533) 4.098 1.969 ( 1.861 3.314 1.533) 4.098 2.194 ( -0.039 -1.798 0.249) 1.816 2.194 ( -0.039 1.798 0.249) 1.816 2.405 ( 0.729 -3.056 -0.657) 3.210 2.405 ( 0.729 3.056 -0.657) 3.210 2.580 ( 3.069 -1.500 -0.550) 3.460 2.580 ( 3.069 1.500 -0.550) 3.460 2.832 ( 2.660 -1.036 -0.143) 2.858 2.832 ( 2.660 1.036 -0.143) 2.858 2.854 ( 1.439 -0.173 -0.046) 1.450 2.854 ( 1.439 0.173 -0.046) 1.450 2.956 ( -2.847 -2.138 -0.349) 3.578 2.956 ( -2.847 2.138 -0.349) 3.578 3.316 ( 4.392 -0.610 -0.009) 4.434 3.316 ( 4.392 0.610 -0.009) 4.434 3.791 ( 0.477 -0.959 0.048) 1.072 3.791 ( 0.477 0.959 0.048) 1.072 4.019 ( -1.062 -1.148 0.384) 1.610 4.019 ( -1.062 1.148 0.384) 1.610 4.136 ( -0.034 -1.679 0.463) 1.742 4.136 ( -0.034 1.679 0.463) 1.742 4.270 ( -1.998 -0.280 -0.240) 2.031 4.270 ( -1.998 0.280 -0.240) 2.031 4.518 ( -2.557 -0.244 0.181) 2.575 4.518 ( -2.557 0.244 0.181) 2.575 5.031 ( 2.616 -1.929 -0.101) 3.252 5.031 ( 2.616 1.929 -0.101) 3.252 5.118 ( -1.341 -0.549 -0.005) 1.449 5.118 ( -1.341 0.549 -0.005) 1.449 5.622 ( 0.208 -0.887 -0.018) 0.911 5.622 ( 0.208 0.887 -0.018) 0.911 5.870 ( -0.488 -0.195 0.193) 0.560 5.870 ( -0.488 0.195 0.193) 0.560 6.141 ( 1.487 -0.877 -0.459) 1.786 6.141 ( 1.487 0.877 -0.459) 1.786 8.628 ( 1.406 -0.199 1.331) 1.947 8.628 ( 1.406 0.199 1.331) 1.947 12.723 ( -2.583 -2.266 1.692) 3.830 12.723 ( -2.583 2.266 1.692) 3.830 12.925 ( -2.975 -1.265 -4.258) 5.346 12.925 ( -2.975 1.265 -4.258) 5.346 13.094 ( -1.287 -1.261 1.320) 2.233 13.094 ( -1.287 1.261 1.320) 2.233 13.249 ( -1.294 -1.187 0.889) 1.968 13.249 ( -1.294 1.187 0.889) 1.968 13.444 ( -1.747 -1.384 -1.374) 2.619 13.444 ( -1.747 1.384 -1.374) 2.619 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 7.543 0.000 -7.141) 10.387 0.549 ( -7.543 0.000 7.141) 10.387 0.740 ( 4.484 0.000 -2.260) 5.021 0.740 ( -4.484 0.000 2.260) 5.021 0.799 ( -5.625 0.000 -5.858) 8.121 0.799 ( 5.625 0.000 5.858) 8.121 0.908 ( 1.475 0.000 -2.772) 3.140 0.908 ( -1.475 0.000 2.772) 3.140 1.001 ( 1.739 0.000 -2.040) 2.681 1.001 ( -1.739 0.000 2.040) 2.681 1.036 ( 1.481 0.000 -4.843) 5.064 1.036 ( -1.481 0.000 4.843) 5.064 1.313 ( -2.314 0.000 -1.931) 3.014 1.313 ( 2.314 0.000 1.931) 3.014 1.413 ( -1.163 0.000 0.367) 1.219 1.413 ( 1.163 0.000 -0.367) 1.219 1.537 ( 0.880 0.000 -0.542) 1.034 1.537 ( -0.880 0.000 0.542) 1.034 1.670 ( 1.010 0.000 -1.199) 1.568 1.670 ( -1.010 0.000 1.199) 1.568 1.739 ( -2.336 0.000 -1.304) 2.675 1.739 ( 2.336 0.000 1.304) 2.675 1.792 ( 1.571 0.000 -1.606) 2.246 1.792 ( -1.571 0.000 1.606) 2.246 2.043 ( -2.766 0.000 -0.947) 2.923 2.043 ( 2.766 0.000 0.947) 2.923 2.207 ( -0.494 0.000 -0.012) 0.494 2.207 ( 0.494 0.000 0.012) 0.494 2.405 ( 0.879 0.000 -0.698) 1.122 2.405 ( -0.879 0.000 0.698) 1.122 2.603 ( 0.842 0.000 -1.590) 1.799 2.603 ( -0.842 0.000 1.590) 1.799 2.864 ( 1.984 0.000 -0.850) 2.158 2.864 ( -1.984 0.000 0.850) 2.158 2.866 ( 0.221 0.000 -0.765) 0.796 2.866 ( -0.221 0.000 0.765) 0.796 2.929 ( -1.098 0.000 -2.143) 2.408 2.929 ( 1.098 0.000 2.143) 2.408 3.350 ( -0.192 0.000 -0.817) 0.840 3.350 ( 0.192 0.000 0.817) 0.840 3.798 ( 0.303 0.000 -0.359) 0.470 3.798 ( -0.303 0.000 0.359) 0.470 4.008 ( -1.443 0.000 -0.817) 1.658 4.008 ( 1.443 0.000 0.817) 1.658 4.150 ( -2.558 0.000 -0.748) 2.665 4.150 ( 2.558 0.000 0.748) 2.665 4.247 ( -0.087 0.000 -0.206) 0.223 4.247 ( 0.087 0.000 0.206) 0.223 4.503 ( -0.418 0.000 -0.005) 0.418 4.503 ( 0.418 0.000 0.005) 0.418 5.032 ( -1.254 0.000 -1.259) 1.777 5.032 ( 1.254 0.000 1.259) 1.777 5.129 ( 1.448 0.000 -1.266) 1.924 5.129 ( -1.448 0.000 1.266) 1.924 5.622 ( -0.064 0.000 -0.766) 0.769 5.622 ( 0.064 0.000 0.766) 0.769 5.871 ( 0.516 0.000 -0.331) 0.613 5.871 ( -0.516 0.000 0.331) 0.613 6.146 ( -0.845 0.000 -0.429) 0.947 6.146 ( 0.845 0.000 0.429) 0.947 8.676 ( 0.783 0.000 -0.654) 1.020 8.676 ( -0.783 0.000 0.654) 1.020 12.737 ( 0.936 0.000 -3.405) 3.531 12.737 ( -0.936 0.000 3.405) 3.531 12.818 ( 0.377 0.000 -1.884) 1.921 12.818 ( -0.377 0.000 1.884) 1.921 13.116 ( 1.551 0.000 -0.532) 1.639 13.116 ( -1.551 0.000 0.532) 1.639 13.246 ( 2.873 0.000 -0.983) 3.036 13.246 ( -2.873 0.000 0.983) 3.036 13.388 ( -1.212 0.000 0.124) 1.218 13.388 ( 1.212 0.000 -0.124) 1.218 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -0.924 0.000 -6.912) 6.974 0.557 ( -0.977 0.000 4.451) 4.557 0.631 ( -0.498 0.000 -9.550) 9.562 0.740 ( -1.324 0.000 0.158) 1.334 0.817 ( 1.891 0.000 0.760) 2.038 0.863 ( 4.248 0.000 -6.352) 7.641 0.913 ( 1.829 0.000 1.928) 2.657 0.968 ( 11.198 0.000 -0.397) 11.205 1.005 ( 2.676 0.000 2.040) 3.365 1.033 ( 5.042 0.000 -0.549) 5.072 1.090 ( 1.739 0.000 -0.521) 1.816 1.115 ( 6.192 0.000 1.467) 6.363 1.272 ( 0.768 0.000 -1.258) 1.474 1.371 ( -0.173 0.000 3.867) 3.871 1.434 ( 2.051 0.000 1.488) 2.534 1.467 ( 3.140 0.000 2.756) 4.178 1.522 ( -1.112 0.000 0.012) 1.112 1.540 ( 0.959 0.000 -1.271) 1.592 1.623 ( -0.871 0.000 -4.007) 4.100 1.628 ( -3.940 0.000 -0.145) 3.943 1.719 ( -2.513 0.000 2.458) 3.515 1.798 ( 1.976 0.000 1.519) 2.492 1.806 ( 1.283 0.000 0.995) 1.624 1.825 ( 2.377 0.000 0.698) 2.477 1.966 ( -4.373 0.000 -1.206) 4.536 2.072 ( 0.885 0.000 -1.130) 1.435 2.184 ( -1.059 0.000 -0.919) 1.402 2.196 ( -0.480 0.000 -1.594) 1.665 2.390 ( -2.300 0.000 0.240) 2.312 2.420 ( 1.437 0.000 0.005) 1.437 2.574 ( -2.013 0.000 -1.724) 2.651 2.584 ( -3.273 0.000 1.130) 3.462 2.836 ( -2.364 0.000 1.211) 2.656 2.836 ( -2.392 0.000 -0.849) 2.538 2.856 ( -1.860 0.000 0.733) 1.999 2.860 ( -1.073 0.000 -0.594) 1.226 2.925 ( 2.833 0.000 -1.946) 3.437 2.985 ( 2.658 0.000 1.379) 2.995 3.301 ( -4.385 0.000 -0.339) 4.399 3.315 ( -5.457 0.000 0.733) 5.506 3.780 ( -2.208 0.000 -0.097) 2.210 3.798 ( 0.047 0.000 0.533) 0.536 4.008 ( 2.545 0.000 -0.622) 2.620 4.048 ( 1.550 0.000 0.557) 1.647 4.098 ( -1.880 0.000 -1.071) 2.163 4.186 ( 1.043 0.000 -0.222) 1.066 4.260 ( 1.789 0.000 -0.206) 1.801 4.271 ( 2.368 0.000 0.191) 2.376 4.516 ( 2.076 0.000 -0.084) 2.077 4.528 ( 2.675 0.000 -0.024) 2.675 4.988 ( -2.596 0.000 -0.918) 2.754 5.053 ( -0.980 0.000 1.244) 1.584 5.122 ( -0.395 0.000 0.868) 0.954 5.137 ( 1.714 0.000 -1.613) 2.354 5.611 ( -0.300 0.000 -0.642) 0.709 5.628 ( -0.375 0.000 0.679) 0.776 5.870 ( -0.241 0.000 0.368) 0.440 5.881 ( 0.695 0.000 0.257) 0.741 6.117 ( -2.051 0.000 -0.135) 2.056 6.152 ( -0.739 0.000 0.488) 0.885 8.649 ( -1.973 0.000 -0.767) 2.117 8.658 ( -1.260 0.000 -1.410) 1.891 12.729 ( 2.426 0.000 -2.970) 3.835 12.774 ( 0.664 0.000 2.281) 2.376 12.838 ( 2.900 0.000 0.639) 2.970 12.876 ( 2.903 0.000 3.915) 4.874 13.101 ( 0.695 0.000 -1.499) 1.652 13.138 ( 2.993 0.000 -1.810) 3.498 13.228 ( -1.269 0.000 1.392) 1.884 13.309 ( 5.579 0.000 -0.222) 5.583 13.393 ( 1.099 0.000 0.999) 1.485 13.422 ( 2.055 0.000 0.933) 2.257 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 0.697 0.000 -11.544) 11.565 0.506 ( 3.796 0.000 -7.569) 8.468 0.685 ( 6.007 0.000 1.464) 6.183 0.695 ( -2.753 0.000 1.280) 3.036 0.804 ( -2.500 0.000 0.699) 2.596 0.890 ( 3.847 0.000 -3.461) 5.175 1.006 ( 4.692 0.000 1.349) 4.882 1.065 ( 0.876 0.000 -2.696) 2.835 1.067 ( 1.380 0.000 3.319) 3.595 1.134 ( 3.678 0.000 1.227) 3.877 1.193 ( 13.985 0.000 -1.798) 14.100 1.218 ( 4.293 0.000 0.462) 4.317 1.337 ( 6.569 0.000 0.493) 6.587 1.387 ( -2.722 0.000 4.028) 4.862 1.464 ( -2.243 0.000 2.635) 3.461 1.511 ( -0.499 0.000 -1.194) 1.294 1.514 ( -3.848 0.000 -2.467) 4.571 1.554 ( 2.060 0.000 2.936) 3.587 1.590 ( 4.502 0.000 -1.731) 4.824 1.624 ( 5.585 0.000 -2.831) 6.262 1.701 ( 0.694 0.000 1.116) 1.314 1.807 ( -3.024 0.000 -0.712) 3.107 1.857 ( 3.651 0.000 0.690) 3.716 1.859 ( 1.136 0.000 1.567) 1.935 1.925 ( -1.092 0.000 3.327) 3.502 2.046 ( -1.558 0.000 -2.619) 3.047 2.171 ( 0.824 0.000 -2.247) 2.393 2.175 ( 1.125 0.000 0.064) 1.127 2.336 ( -2.616 0.000 -1.605) 3.069 2.449 ( 2.245 0.000 -0.623) 2.330 2.504 ( -3.700 0.000 -1.581) 4.023 2.531 ( -4.059 0.000 0.606) 4.104 2.786 ( -1.960 0.000 -1.085) 2.241 2.814 ( -2.330 0.000 0.398) 2.364 2.826 ( -2.513 0.000 -0.291) 2.530 2.830 ( -1.852 0.000 1.249) 2.234 2.947 ( 1.442 0.000 -0.631) 1.574 3.035 ( 1.031 0.000 1.152) 1.547 3.205 ( -8.183 0.000 0.466) 8.196 3.211 ( -6.306 0.000 0.053) 6.306 3.744 ( -1.750 0.000 0.631) 1.861 3.809 ( 0.480 0.000 0.206) 0.522 4.028 ( -2.047 0.000 -0.718) 2.170 4.055 ( 3.426 0.000 -0.663) 3.489 4.110 ( 2.270 0.000 0.435) 2.311 4.181 ( -0.213 0.000 -1.434) 1.450 4.290 ( 1.698 0.000 -0.038) 1.698 4.309 ( 1.752 0.000 0.053) 1.753 4.568 ( 4.122 0.000 0.064) 4.123 4.588 ( 4.269 0.000 0.194) 4.273 4.925 ( -3.960 0.000 -0.460) 3.987 5.018 ( -4.234 0.000 0.617) 4.279 5.144 ( 1.350 0.000 0.969) 1.662 5.150 ( 2.144 0.000 -1.593) 2.671 5.601 ( 0.007 0.000 -0.490) 0.491 5.627 ( -0.580 0.000 0.418) 0.715 5.870 ( -0.225 0.000 0.333) 0.402 5.891 ( -0.434 0.000 0.714) 0.835 6.082 ( -2.270 0.000 0.423) 2.309 6.134 ( -2.044 0.000 0.369) 2.077 8.608 ( -1.602 0.000 -0.978) 1.877 8.611 ( -2.227 0.000 -1.375) 2.617 12.744 ( 3.069 0.000 -2.433) 3.916 12.795 ( 0.008 0.000 0.595) 0.595 12.918 ( 3.005 0.000 3.490) 4.605 12.965 ( 1.098 0.000 4.110) 4.254 13.111 ( 3.512 0.000 -2.748) 4.459 13.178 ( 4.075 0.000 -1.646) 4.395 13.237 ( 0.321 0.000 1.768) 1.797 13.401 ( 5.511 0.000 -1.144) 5.628 13.439 ( 2.493 0.000 1.205) 2.769 13.474 ( 1.182 0.000 3.129) 3.345 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 8.553 0.000 -2.933) 9.042 0.541 ( 6.938 0.000 -4.408) 8.220 0.691 ( -0.236 0.000 2.342) 2.354 0.766 ( 1.569 0.000 0.067) 1.570 0.813 ( 3.794 0.000 1.438) 4.057 0.891 ( 0.668 0.000 -2.679) 2.761 1.020 ( 0.558 0.000 -3.171) 3.220 1.090 ( -1.441 0.000 0.162) 1.450 1.124 ( 4.469 0.000 1.951) 4.876 1.201 ( 3.009 0.000 1.534) 3.378 1.260 ( 0.607 0.000 0.477) 0.772 1.309 ( 0.090 0.000 -1.159) 1.163 1.364 ( -5.867 0.000 -3.700) 6.936 1.429 ( 2.941 0.000 0.951) 3.091 1.456 ( 3.065 0.000 1.699) 3.505 1.459 ( 0.761 0.000 2.000) 2.140 1.494 ( -0.508 0.000 1.337) 1.430 1.606 ( 0.631 0.000 2.087) 2.180 1.608 ( -2.078 0.000 0.535) 2.145 1.668 ( 4.841 0.000 -3.323) 5.872 1.766 ( -0.798 0.000 1.930) 2.088 1.850 ( -5.434 0.000 3.642) 6.541 1.850 ( 10.986 0.000 -1.990) 11.165 1.932 ( 4.485 0.000 -0.552) 4.519 1.963 ( -2.112 0.000 -3.593) 4.167 2.014 ( 7.089 0.000 1.930) 7.347 2.183 ( 3.492 0.000 -1.481) 3.793 2.219 ( 3.252 0.000 0.495) 3.289 2.294 ( -0.313 0.000 -0.498) 0.588 2.433 ( -2.629 0.000 -0.727) 2.728 2.442 ( -1.980 0.000 -2.339) 3.065 2.494 ( -0.271 0.000 0.222) 0.350 2.753 ( -3.521 0.000 0.020) 3.521 2.754 ( -5.292 0.000 0.409) 5.308 2.773 ( -0.837 0.000 -0.526) 0.989 2.834 ( 0.554 0.000 0.722) 0.910 2.950 ( -1.402 0.000 0.592) 1.522 3.029 ( -3.279 0.000 0.376) 3.300 3.084 ( -5.986 0.000 0.208) 5.990 3.106 ( -5.340 0.000 -0.352) 5.352 3.746 ( 0.270 0.000 1.475) 1.499 3.811 ( 0.166 0.000 -0.824) 0.841 4.007 ( -0.140 0.000 0.432) 0.454 4.093 ( 2.216 0.000 -0.969) 2.418 4.147 ( 1.197 0.000 0.508) 1.300 4.149 ( -0.900 0.000 -2.136) 2.318 4.315 ( 1.362 0.000 0.295) 1.394 4.332 ( 1.159 0.000 -0.048) 1.160 4.646 ( 4.894 0.000 0.281) 4.902 4.660 ( 4.091 0.000 -0.089) 4.092 4.852 ( -4.304 0.000 -0.058) 4.304 4.940 ( -5.619 0.000 0.202) 5.623 5.168 ( 1.858 0.000 -1.252) 2.240 5.174 ( 0.626 0.000 0.880) 1.080 5.602 ( 0.803 0.000 -0.359) 0.880 5.622 ( -0.312 0.000 0.140) 0.342 5.870 ( -0.258 0.000 0.319) 0.411 5.883 ( -1.153 0.000 0.441) 1.235 6.055 ( -1.736 0.000 0.732) 1.884 6.098 ( -2.472 0.000 0.072) 2.473 8.562 ( -1.764 0.000 -0.937) 1.997 8.573 ( -1.660 0.000 -0.463) 1.724 12.767 ( 2.758 0.000 -2.055) 3.439 12.795 ( -0.949 0.000 0.936) 1.332 12.991 ( 1.266 0.000 2.453) 2.761 13.005 ( -0.278 0.000 2.211) 2.228 13.147 ( 3.780 0.000 -1.693) 4.142 13.215 ( 2.287 0.000 -1.476) 2.722 13.289 ( 2.994 0.000 2.601) 3.966 13.457 ( 3.693 0.000 -1.611) 4.029 13.490 ( 1.940 0.000 0.785) 2.093 13.509 ( -0.786 0.000 1.458) 1.656 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 3.247 0.000 4.582) 5.616 0.573 ( 2.951 0.000 -4.427) 5.320 0.756 ( 4.946 0.000 2.684) 5.627 0.809 ( 1.380 0.000 1.539) 2.067 0.865 ( -0.411 0.000 -1.313) 1.375 0.876 ( 1.439 0.000 -1.205) 1.877 0.985 ( -0.328 0.000 -1.598) 1.631 1.034 ( -3.467 0.000 -1.884) 3.946 1.199 ( 2.346 0.000 0.449) 2.388 1.236 ( -1.393 0.000 0.588) 1.512 1.244 ( -2.536 0.000 -1.003) 2.727 1.262 ( -2.258 0.000 -0.279) 2.275 1.296 ( 4.531 0.000 0.118) 4.532 1.383 ( -4.688 0.000 -0.346) 4.701 1.524 ( -0.816 0.000 4.229) 4.307 1.525 ( 3.637 0.000 -1.145) 3.813 1.576 ( 7.581 0.000 -0.944) 7.639 1.608 ( 1.092 0.000 0.135) 1.100 1.620 ( -0.627 0.000 0.733) 0.965 1.656 ( -3.298 0.000 0.856) 3.407 1.778 ( -1.200 0.000 0.425) 1.273 1.828 ( -5.196 0.000 -2.095) 5.603 1.843 ( -0.682 0.000 6.131) 6.169 1.902 ( 2.261 0.000 -6.285) 6.680 2.074 ( 6.160 0.000 1.088) 6.256 2.117 ( 2.343 0.000 -0.334) 2.367 2.245 ( 3.655 0.000 -0.354) 3.672 2.267 ( 0.948 0.000 -0.532) 1.087 2.322 ( 2.851 0.000 1.484) 3.214 2.380 ( -1.826 0.000 -1.877) 2.619 2.440 ( 4.372 0.000 0.805) 4.446 2.496 ( 1.469 0.000 -1.387) 2.020 2.642 ( -7.457 0.000 0.410) 7.468 2.653 ( -6.694 0.000 0.097) 6.695 2.820 ( 4.831 0.000 0.229) 4.836 2.859 ( 1.423 0.000 0.150) 1.431 2.914 ( -3.175 0.000 0.861) 3.290 2.938 ( -5.961 0.000 -0.559) 5.987 3.036 ( -0.632 0.000 0.315) 0.706 3.050 ( -1.523 0.000 -0.488) 1.599 3.775 ( 0.558 0.000 1.743) 1.830 3.798 ( 0.037 0.000 -1.533) 1.533 4.030 ( 1.245 0.000 1.659) 2.074 4.079 ( -1.400 0.000 -2.369) 2.751 4.138 ( 1.431 0.000 -0.468) 1.506 4.154 ( -0.794 0.000 0.348) 0.867 4.340 ( 0.863 0.000 0.481) 0.988 4.346 ( 0.678 0.000 -0.308) 0.745 4.715 ( 3.099 0.000 -0.698) 3.176 4.723 ( 2.675 0.000 0.844) 2.805 4.798 ( -1.049 0.000 -0.208) 1.069 4.848 ( -5.512 0.000 0.165) 5.514 5.179 ( 1.089 0.000 -0.877) 1.398 5.183 ( -0.484 0.000 0.729) 0.875 5.614 ( 0.768 0.000 -0.186) 0.790 5.620 ( -0.171 0.000 0.057) 0.181 5.869 ( -0.117 0.000 0.164) 0.202 5.872 ( -0.507 0.000 0.163) 0.533 6.045 ( -0.340 0.000 0.630) 0.716 6.061 ( -1.542 0.000 -0.335) 1.578 8.537 ( -0.304 0.000 -0.314) 0.437 8.545 ( -1.169 0.000 -0.181) 1.183 12.783 ( 1.932 0.000 -1.843) 2.670 12.790 ( -1.377 0.000 1.489) 2.028 13.018 ( -0.111 0.000 0.816) 0.824 13.018 ( 0.183 0.000 0.543) 0.573 13.187 ( 2.281 0.000 -0.123) 2.284 13.216 ( -0.340 0.000 -1.013) 1.068 13.383 ( 3.677 0.000 3.171) 4.856 13.464 ( -1.750 0.000 -2.080) 2.718 13.505 ( 1.405 0.000 -0.615) 1.534 13.514 ( 0.022 0.000 0.485) 0.485 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 4.522 -0.717 -4.512) 6.428 0.541 ( -4.522 -0.717 4.512) 6.428 0.673 ( -0.040 -6.277 -6.547) 9.070 0.673 ( 0.040 -6.277 6.547) 9.070 0.742 ( -1.068 -1.478 -1.560) 2.400 0.742 ( 1.068 -1.478 1.560) 2.400 0.910 ( 0.710 -0.912 -1.997) 2.307 0.910 ( -0.710 -0.912 1.997) 2.307 1.037 ( -1.579 4.050 -0.147) 4.349 1.037 ( 1.579 4.050 0.147) 4.349 1.095 ( 0.554 2.932 -3.429) 4.546 1.095 ( -0.554 2.932 3.429) 4.546 1.262 ( -1.454 -4.584 -0.384) 4.824 1.262 ( 1.454 -4.584 0.384) 4.824 1.401 ( -0.409 -0.294 -1.416) 1.503 1.401 ( 0.409 -0.294 1.416) 1.503 1.553 ( 0.647 0.960 -0.850) 1.437 1.553 ( -0.647 0.960 0.850) 1.437 1.644 ( 1.717 -1.719 -1.694) 2.962 1.644 ( -1.717 -1.719 1.694) 2.962 1.777 ( -1.275 2.708 -1.854) 3.521 1.777 ( 1.275 2.708 1.854) 3.521 1.842 ( -0.750 4.392 -0.962) 4.558 1.842 ( 0.750 4.392 0.962) 4.558 2.040 ( -1.405 -0.712 -1.810) 2.399 2.040 ( 1.405 -0.712 1.810) 2.399 2.190 ( -0.587 -1.840 -0.835) 2.104 2.190 ( 0.587 -1.840 0.835) 2.104 2.407 ( -0.236 0.422 -0.701) 0.851 2.407 ( 0.236 0.422 0.701) 0.851 2.600 ( 0.539 -0.298 -1.196) 1.345 2.600 ( -0.539 -0.298 1.196) 1.345 2.855 ( 0.386 -0.755 -0.731) 1.119 2.855 ( -0.386 -0.755 0.731) 1.119 2.868 ( -0.778 0.315 0.150) 0.852 2.868 ( 0.778 0.315 -0.150) 0.852 2.928 ( -0.812 -0.099 -1.564) 1.765 2.928 ( 0.812 -0.099 1.564) 1.765 3.352 ( -0.129 0.149 -0.593) 0.625 3.352 ( 0.129 0.149 0.593) 0.625 3.798 ( -0.097 0.062 -0.341) 0.360 3.798 ( 0.097 0.062 0.341) 0.360 4.012 ( -1.133 0.330 -0.619) 1.333 4.012 ( 1.133 0.330 0.619) 1.333 4.146 ( -1.948 -0.267 -0.529) 2.036 4.146 ( 1.948 -0.267 0.529) 2.036 4.247 ( -0.058 0.028 -0.133) 0.148 4.247 ( 0.058 0.028 0.133) 0.148 4.503 ( -0.295 -0.015 -0.006) 0.296 4.503 ( 0.295 -0.015 0.006) 0.296 5.041 ( -1.113 0.764 -0.905) 1.625 5.041 ( 1.113 0.764 0.905) 1.625 5.119 ( 1.293 -0.809 -0.889) 1.765 5.119 ( -1.293 -0.809 0.889) 1.765 5.622 ( -0.057 -0.011 -0.553) 0.557 5.622 ( 0.057 -0.011 0.553) 0.557 5.870 ( 0.286 -0.047 -0.245) 0.380 5.870 ( -0.286 -0.047 0.245) 0.380 6.146 ( -0.595 0.018 -0.307) 0.670 6.146 ( 0.595 0.018 0.307) 0.670 8.673 ( 0.487 -0.155 -0.466) 0.692 8.673 ( -0.487 -0.155 0.466) 0.692 12.742 ( 0.752 0.405 -2.792) 2.920 12.742 ( -0.752 0.405 2.792) 2.920 12.812 ( 0.478 -0.472 -1.771) 1.895 12.812 ( -0.478 -0.472 1.771) 1.895 13.112 ( -0.294 -0.265 -0.363) 0.537 13.112 ( 0.294 -0.265 0.363) 0.537 13.253 ( -0.028 0.514 -0.696) 0.865 13.253 ( 0.028 0.514 0.696) 0.865 13.391 ( -0.078 0.205 -0.418) 0.472 13.391 ( 0.078 0.205 0.418) 0.472 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -4.090 -1.959 -6.008) 7.527 0.550 ( -0.441 -0.747 3.036) 3.157 0.621 ( 6.713 -1.277 -5.272) 8.631 0.715 ( 3.262 -3.693 0.587) 4.962 0.824 ( 3.489 0.588 0.030) 3.538 0.858 ( -0.004 -0.226 -2.322) 2.333 0.885 ( 2.376 -3.305 1.331) 4.282 0.905 ( 3.330 -2.622 -0.427) 4.260 1.042 ( 6.298 4.316 -0.336) 7.642 1.082 ( 4.040 3.163 0.273) 5.138 1.111 ( 0.788 0.892 0.289) 1.225 1.139 ( 4.983 1.843 -1.451) 5.507 1.251 ( 1.401 -2.528 0.849) 3.012 1.320 ( 3.073 -4.404 1.476) 5.569 1.385 ( -0.642 -1.998 0.909) 2.287 1.429 ( 0.757 -2.208 0.270) 2.350 1.541 ( -0.954 1.073 0.971) 1.733 1.564 ( 0.957 1.117 -0.512) 1.558 1.631 ( -1.498 0.299 0.215) 1.542 1.645 ( 1.318 0.574 -1.677) 2.209 1.750 ( 0.295 1.884 -0.503) 1.972 1.802 ( -1.057 1.476 0.069) 1.817 1.830 ( 0.128 2.613 2.018) 3.304 1.872 ( 0.828 3.164 0.777) 3.362 1.963 ( -4.151 0.059 -2.626) 4.912 2.055 ( 0.020 -1.812 -1.121) 2.131 2.181 ( 0.253 -0.546 -0.121) 0.614 2.205 ( -0.161 -0.111 0.524) 0.559 2.378 ( -1.968 -0.019 -0.566) 2.048 2.423 ( 0.785 0.033 0.208) 0.813 2.570 ( -2.250 -0.125 -1.113) 2.513 2.582 ( -2.828 -0.255 0.709) 2.927 2.825 ( -2.604 -0.539 0.234) 2.669 2.836 ( -2.461 -0.503 0.736) 2.618 2.852 ( -1.530 -0.036 0.141) 1.537 2.860 ( -1.279 -0.085 -0.429) 1.352 2.935 ( 2.901 0.910 -1.522) 3.400 2.977 ( 2.737 -0.728 0.823) 2.950 3.306 ( -4.509 0.362 -0.162) 4.527 3.316 ( -5.264 -0.008 0.626) 5.302 3.781 ( -1.606 0.317 -0.231) 1.653 3.800 ( -0.182 -0.029 0.400) 0.440 4.012 ( 2.067 0.415 -0.487) 2.164 4.041 ( 1.119 -0.676 0.320) 1.346 4.113 ( -0.962 1.345 -0.788) 1.832 4.175 ( 0.891 -1.034 -0.307) 1.399 4.262 ( 1.857 0.179 -0.117) 1.869 4.270 ( 2.279 -0.115 0.142) 2.286 4.517 ( 2.110 0.094 -0.057) 2.113 4.526 ( 2.512 -0.240 -0.038) 2.524 5.000 ( -2.668 1.157 -0.625) 2.974 5.050 ( -1.687 -0.469 0.809) 1.929 5.117 ( 0.386 -0.255 0.641) 0.790 5.132 ( 1.709 -0.500 -1.180) 2.137 5.613 ( -0.283 0.278 -0.405) 0.567 5.627 ( -0.324 -0.184 0.560) 0.673 5.869 ( -0.128 0.015 0.221) 0.256 5.877 ( 0.517 -0.304 0.103) 0.609 6.122 ( -1.880 0.472 -0.060) 1.939 6.147 ( -0.949 -0.473 0.384) 1.128 8.650 ( -1.775 0.066 -0.807) 1.951 8.656 ( -1.332 -0.166 -1.194) 1.797 12.737 ( 2.200 0.707 -2.488) 3.396 12.771 ( 0.791 -0.434 1.214) 1.512 12.839 ( 3.002 0.185 1.329) 3.288 12.866 ( 2.889 -0.827 3.523) 4.630 13.105 ( 1.114 0.396 -1.351) 1.795 13.132 ( 2.395 -0.555 -1.081) 2.686 13.239 ( -0.364 1.046 0.179) 1.122 13.294 ( 3.922 -1.174 -0.588) 4.136 13.403 ( 1.488 0.698 0.956) 1.901 13.421 ( 1.762 -0.099 1.323) 2.206 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 3.828 3.065 -5.112) 7.084 0.572 ( 3.454 1.701 -4.183) 5.685 0.676 ( 0.842 2.185 -2.731) 3.597 0.718 ( 3.012 0.457 -0.745) 3.136 0.819 ( 0.049 -0.065 1.462) 1.464 0.855 ( 2.381 -2.763 -2.946) 4.689 0.926 ( 1.242 -4.452 1.501) 4.860 1.013 ( 4.318 -3.628 3.043) 6.408 1.096 ( -0.726 1.092 -1.060) 1.686 1.146 ( 2.887 1.889 0.132) 3.453 1.195 ( 4.382 -0.694 2.562) 5.123 1.233 ( 9.153 0.987 -2.664) 9.584 1.329 ( 2.131 -2.249 1.886) 3.627 1.373 ( 4.227 0.707 0.818) 4.363 1.408 ( 0.595 -5.387 0.362) 5.432 1.432 ( 0.414 -2.426 1.260) 2.765 1.538 ( -1.820 1.066 0.425) 2.152 1.584 ( 4.263 2.204 -1.680) 5.085 1.603 ( -0.461 0.914 -0.248) 1.053 1.698 ( 8.051 2.889 -1.294) 8.651 1.742 ( -2.527 4.345 0.053) 5.027 1.813 ( 4.364 -2.311 -0.135) 4.940 1.851 ( -0.970 0.168 1.538) 1.826 1.862 ( -4.597 -0.225 -0.775) 4.667 1.890 ( 0.737 0.780 0.515) 1.190 2.027 ( -1.245 -2.572 -1.965) 3.468 2.183 ( 0.908 0.801 -1.522) 1.945 2.206 ( 0.134 1.272 0.531) 1.385 2.337 ( -1.362 1.226 -0.896) 2.040 2.440 ( 1.091 -1.137 -0.135) 1.581 2.508 ( -3.371 0.491 -1.161) 3.599 2.532 ( -3.833 -0.088 0.373) 3.852 2.784 ( -1.788 0.009 -0.571) 1.877 2.813 ( -1.527 -0.383 0.589) 1.680 2.820 ( -2.635 -0.529 0.690) 2.775 2.824 ( -2.646 -0.167 -0.203) 2.659 2.960 ( 1.309 1.156 -0.483) 1.812 3.020 ( 0.831 -1.291 0.684) 1.680 3.211 ( -7.574 0.478 0.581) 7.611 3.214 ( -6.432 0.279 0.193) 6.440 3.754 ( -1.239 0.974 0.380) 1.621 3.804 ( 0.121 -0.649 0.130) 0.672 4.038 ( -0.992 0.698 -0.495) 1.310 4.052 ( 2.927 -0.245 -0.579) 2.994 4.115 ( 1.651 0.675 -0.032) 1.784 4.170 ( -0.158 -1.093 -1.280) 1.691 4.293 ( 1.667 0.321 0.074) 1.699 4.307 ( 1.734 -0.223 0.113) 1.751 4.570 ( 4.217 0.231 0.106) 4.225 4.584 ( 4.311 -0.357 0.160) 4.329 4.939 ( -4.050 1.293 -0.284) 4.261 5.005 ( -4.284 -1.226 0.422) 4.476 5.144 ( 1.567 0.045 0.684) 1.710 5.150 ( 2.089 -0.079 -1.149) 2.386 5.606 ( -0.073 0.457 -0.317) 0.561 5.625 ( -0.534 -0.219 0.348) 0.674 5.870 ( -0.158 0.040 0.227) 0.279 5.884 ( -0.200 -0.555 0.399) 0.712 6.089 ( -2.295 0.636 0.390) 2.413 6.125 ( -2.102 -0.754 0.361) 2.262 8.608 ( -1.824 0.051 -1.040) 2.100 8.611 ( -2.102 -0.009 -1.248) 2.444 12.752 ( 2.684 0.743 -1.990) 3.423 12.789 ( 0.470 -0.641 0.195) 0.819 12.923 ( 2.901 0.505 3.572) 4.629 12.957 ( 1.631 -0.741 4.107) 4.481 13.121 ( 3.500 0.965 -2.236) 4.264 13.169 ( 3.646 -0.859 -1.330) 3.975 13.248 ( 1.237 1.303 0.397) 1.840 13.360 ( 4.698 -3.148 -0.889) 5.725 13.449 ( 2.487 0.591 0.583) 2.621 13.471 ( 1.287 -0.308 2.447) 2.782 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 7.602 6.849 -2.044) 10.435 0.584 ( 4.823 3.492 -3.800) 7.063 0.674 ( 0.045 -0.948 1.765) 2.004 0.758 ( 1.950 -1.029 -0.630) 2.293 0.857 ( 2.302 -1.086 -0.593) 2.613 0.866 ( 2.863 2.628 -0.077) 3.887 0.971 ( 2.473 -5.365 -0.132) 5.909 1.068 ( -1.581 0.735 -1.051) 2.036 1.099 ( 2.704 -5.054 2.126) 6.113 1.176 ( 0.916 -0.793 -0.149) 1.221 1.232 ( -0.457 -1.571 -0.092) 1.639 1.276 ( -0.761 -2.298 -1.214) 2.708 1.348 ( -1.326 -2.123 0.333) 2.525 1.404 ( -0.714 -2.361 1.667) 2.977 1.435 ( 0.545 1.929 0.709) 2.126 1.492 ( 0.911 -0.164 1.551) 1.807 1.525 ( 3.640 3.558 -0.239) 5.095 1.607 ( 0.971 0.465 0.202) 1.095 1.654 ( 2.525 0.288 0.391) 2.571 1.704 ( 0.089 5.042 -1.507) 5.263 1.795 ( -2.895 1.581 1.038) 3.458 1.833 ( -3.646 -0.984 2.790) 4.696 1.858 ( 11.278 1.151 -2.627) 11.637 1.914 ( 1.430 -2.411 -0.976) 2.968 1.928 ( 5.539 -1.693 -0.551) 5.818 1.985 ( 2.653 -2.868 -0.520) 3.941 2.196 ( 3.120 0.942 -1.395) 3.545 2.223 ( 2.292 -0.138 -0.298) 2.315 2.330 ( 0.610 3.344 0.576) 3.448 2.436 ( -1.323 -0.650 -0.959) 1.759 2.443 ( -2.523 0.715 -1.478) 3.010 2.485 ( -1.410 -0.882 0.175) 1.672 2.746 ( -4.246 -0.062 -0.124) 4.248 2.758 ( -5.443 -0.125 0.125) 5.446 2.781 ( 0.115 0.678 0.107) 0.696 2.822 ( 0.809 -1.076 0.683) 1.509 2.958 ( -1.886 0.728 0.463) 2.075 3.005 ( -3.437 -1.568 0.159) 3.781 3.106 ( -5.310 1.284 0.457) 5.482 3.113 ( -5.015 0.595 -0.067) 5.051 3.756 ( 0.325 0.952 1.054) 1.457 3.803 ( 0.144 -0.749 -0.573) 0.954 4.024 ( -0.067 1.527 0.114) 1.533 4.084 ( 1.732 -0.899 -0.839) 2.124 4.140 ( 0.621 -0.398 -0.440) 0.859 4.146 ( -0.100 -0.409 -1.176) 1.249 4.320 ( 1.354 0.381 0.379) 1.457 4.331 ( 1.239 -0.067 0.112) 1.246 4.649 ( 4.842 0.260 0.217) 4.854 4.659 ( 4.300 -0.158 -0.012) 4.303 4.866 ( -4.492 1.222 0.014) 4.655 4.927 ( -5.417 -1.169 0.181) 5.544 5.170 ( 1.666 0.167 -0.892) 1.897 5.174 ( 0.817 -0.024 0.614) 1.022 5.606 ( 0.601 0.363 -0.264) 0.750 5.620 ( -0.209 -0.159 0.089) 0.277 5.869 ( -0.273 -0.024 0.226) 0.355 5.878 ( -0.867 -0.375 0.280) 0.986 6.060 ( -1.823 0.476 0.658) 1.995 6.091 ( -2.333 -0.641 0.175) 2.426 8.563 ( -1.760 0.111 -0.892) 1.976 8.571 ( -1.686 -0.187 -0.591) 1.796 12.773 ( 2.276 0.525 -1.591) 2.826 12.793 ( -0.374 -0.214 0.577) 0.720 12.994 ( 1.013 0.268 2.594) 2.798 13.005 ( -0.124 -0.042 2.466) 2.470 13.162 ( 3.707 1.257 -1.479) 4.184 13.210 ( 2.728 -0.616 -1.304) 3.086 13.294 ( 3.026 0.857 1.484) 3.478 13.418 ( 3.241 -3.600 -0.826) 4.914 13.489 ( 1.703 0.219 0.102) 1.720 13.506 ( 0.485 -0.321 0.891) 1.064 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 4.067 3.860 0.664) 5.646 0.608 ( 0.191 2.832 -1.053) 3.027 0.718 ( 3.311 -2.741 1.943) 4.718 0.779 ( -0.224 -3.409 -0.621) 3.472 0.881 ( 2.957 1.720 -0.015) 3.421 0.926 ( 1.412 4.256 -0.085) 4.485 0.996 ( 1.169 -0.339 -1.562) 1.980 1.003 ( -2.165 -0.705 -0.561) 2.345 1.154 ( 0.419 -4.079 0.392) 4.119 1.177 ( -2.577 -3.395 -0.049) 4.263 1.197 ( 1.050 -4.941 0.015) 5.051 1.239 ( -1.600 -2.303 -0.978) 2.970 1.341 ( 1.928 3.214 -0.538) 3.786 1.384 ( -3.437 0.445 0.904) 3.581 1.467 ( 1.860 -2.007 1.386) 3.068 1.501 ( -1.427 -2.147 1.165) 2.829 1.579 ( 2.742 1.440 -0.616) 3.158 1.614 ( -0.825 1.453 -0.703) 1.812 1.698 ( 1.265 -0.065 1.282) 1.803 1.721 ( 3.968 6.440 0.544) 7.584 1.751 ( -2.294 -1.965 -0.618) 3.083 1.827 ( -4.713 0.971 -0.636) 4.854 1.853 ( -1.996 0.747 4.633) 5.100 1.895 ( 1.823 -0.850 -5.203) 5.578 2.051 ( 5.758 -1.978 1.227) 6.211 2.083 ( 3.663 -2.702 -0.840) 4.629 2.248 ( 3.178 0.265 -0.331) 3.207 2.265 ( 1.380 -0.328 -0.614) 1.546 2.357 ( 1.596 2.803 0.851) 3.336 2.392 ( -1.135 0.997 -1.243) 1.956 2.442 ( 3.722 0.105 0.427) 3.748 2.482 ( 1.468 -1.279 -0.867) 2.132 2.644 ( -7.079 0.121 0.354) 7.089 2.649 ( -6.393 -0.217 -0.110) 6.398 2.826 ( 4.180 0.541 0.269) 4.224 2.854 ( 2.096 -0.508 0.198) 2.166 2.911 ( -3.740 -0.152 0.546) 3.782 2.926 ( -5.051 -0.796 -0.237) 5.119 3.056 ( -0.988 1.450 0.178) 1.764 3.064 ( -1.468 1.069 -0.147) 1.822 3.779 ( 0.508 0.391 1.249) 1.404 3.796 ( 0.103 -0.237 -1.083) 1.113 4.039 ( 0.913 0.812 1.058) 1.616 4.074 ( -0.932 -0.504 -1.724) 2.024 4.134 ( 0.969 -0.182 -0.363) 1.051 4.147 ( -0.544 -0.610 0.125) 0.827 4.345 ( 0.844 0.346 0.421) 1.005 4.349 ( 0.714 0.184 -0.155) 0.754 4.718 ( 3.276 0.265 -0.535) 3.330 4.724 ( 3.013 0.075 0.547) 3.063 4.805 ( -1.978 0.686 -0.068) 2.095 4.841 ( -5.031 -0.672 0.185) 5.079 5.181 ( 0.835 0.144 -0.628) 1.055 5.184 ( -0.259 0.029 0.513) 0.575 5.616 ( 0.622 0.156 -0.141) 0.657 5.620 ( -0.046 -0.001 0.028) 0.054 5.867 ( -0.163 -0.177 0.103) 0.262 5.869 ( -0.452 -0.244 0.113) 0.526 6.047 ( -0.460 0.215 0.535) 0.737 6.059 ( -1.326 -0.206 -0.189) 1.355 8.537 ( -0.429 0.040 -0.308) 0.529 8.543 ( -1.025 -0.164 -0.224) 1.062 12.787 ( 1.500 0.326 -1.352) 2.045 12.792 ( -0.909 0.151 1.052) 1.398 13.020 ( -0.009 0.161 0.840) 0.855 13.021 ( -0.042 0.162 0.707) 0.727 13.200 ( 1.995 1.112 -0.156) 2.289 13.220 ( 0.235 0.383 -0.937) 1.039 13.371 ( 3.009 -0.763 2.392) 3.919 13.429 ( -0.612 -2.850 -1.571) 3.311 13.508 ( 1.161 0.219 -0.417) 1.253 13.516 ( -0.028 -0.011 0.153) 0.156 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 0.000 0.000) 0.000 0.528 ( -0.000 0.000 0.000) 0.000 0.599 ( -0.000 0.000 0.000) 0.000 0.599 ( -0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 0.897 ( 0.000 0.000 0.000) 0.000 0.897 ( 0.000 0.000 0.000) 0.000 1.111 ( -0.000 -0.000 0.000) 0.000 1.111 ( -0.000 0.000 0.000) 0.000 1.129 ( -0.000 -0.000 -0.000) 0.000 1.129 ( 0.000 0.000 -0.000) 0.000 1.175 ( 0.000 -0.000 0.000) 0.000 1.175 ( -0.000 0.000 0.000) 0.000 1.402 ( -0.000 0.000 0.000) 0.000 1.402 ( -0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.623 ( -0.000 -0.000 0.000) 0.000 1.623 ( -0.000 0.000 0.000) 0.000 1.812 ( -0.000 -0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.913 ( -0.000 -0.000 0.000) 0.000 1.913 ( -0.000 0.000 0.000) 0.000 2.020 ( 0.000 -0.000 0.000) 0.000 2.020 ( -0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.157 ( -0.000 0.000 0.000) 0.000 2.416 ( 0.000 -0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.595 ( -0.000 0.000 0.000) 0.000 2.595 ( -0.000 0.000 0.000) 0.000 2.845 ( -0.000 0.000 0.000) 0.000 2.845 ( -0.000 0.000 0.000) 0.000 2.873 ( 0.000 -0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.354 ( -0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.799 ( -0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.017 ( -0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.143 ( -0.000 0.000 0.000) 0.000 4.248 ( -0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 -0.000 0.000) 0.000 5.053 ( -0.000 0.000 0.000) 0.000 5.107 ( -0.000 0.000 0.000) 0.000 5.107 ( -0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.622 ( -0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.870 ( -0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 12.748 ( -0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 12.806 ( -0.000 0.000 0.000) 0.000 13.109 ( 0.000 0.000 0.000) 0.000 13.109 ( -0.000 0.000 0.000) 0.000 13.259 ( -0.000 0.000 0.000) 0.000 13.259 ( -0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 13.393 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 159 (81/84) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -3.131 -3.388 0.507) 4.641 0.513 ( -3.131 3.388 0.507) 4.641 0.619 ( 7.807 -2.493 -1.673) 8.365 0.619 ( 7.807 2.493 -1.673) 8.365 0.839 ( 5.498 -0.980 0.137) 5.587 0.839 ( 5.498 0.980 0.137) 5.587 0.870 ( 0.021 -0.902 -1.221) 1.518 0.870 ( 0.021 0.902 -1.221) 1.518 1.105 ( 2.152 -1.441 -1.385) 2.937 1.105 ( 2.152 1.441 -1.385) 2.937 1.156 ( 1.316 -2.241 1.925) 3.234 1.156 ( 1.316 2.241 1.925) 3.234 1.224 ( 4.829 -3.440 0.834) 5.987 1.224 ( 4.829 3.440 0.834) 5.987 1.390 ( -0.945 -1.608 -0.572) 1.951 1.390 ( -0.945 1.608 -0.572) 1.951 1.563 ( -0.143 -0.927 0.341) 0.998 1.563 ( -0.143 0.927 0.341) 0.998 1.639 ( 2.328 -0.519 -0.701) 2.486 1.639 ( 2.328 0.519 -0.701) 2.486 1.795 ( -1.415 -1.818 -0.566) 2.372 1.795 ( -1.415 1.818 -0.566) 2.372 1.895 ( -1.330 -1.661 -0.341) 2.155 1.895 ( -1.330 1.661 -0.341) 2.155 2.000 ( -1.453 -3.318 -1.421) 3.891 2.000 ( -1.453 3.318 -1.421) 3.891 2.178 ( 0.933 -1.035 1.375) 1.958 2.178 ( 0.933 1.035 1.375) 1.958 2.406 ( -0.791 -1.744 -0.291) 1.937 2.406 ( -0.791 1.744 -0.291) 1.937 2.574 ( -2.404 -0.435 -0.062) 2.444 2.574 ( -2.404 0.435 -0.062) 2.444 2.823 ( -2.530 -0.454 0.650) 2.651 2.823 ( -2.530 0.454 0.650) 2.651 2.856 ( -1.480 -0.254 -0.198) 1.514 2.856 ( -1.480 0.254 -0.198) 1.514 2.957 ( 2.870 -1.146 -0.423) 3.119 2.957 ( 2.870 1.146 -0.423) 3.119 3.313 ( -4.849 -0.274 0.275) 4.865 3.313 ( -4.849 0.274 0.275) 4.865 3.793 ( -0.722 -0.620 -0.057) 0.953 3.793 ( -0.722 0.620 -0.057) 0.953 4.025 ( 1.230 -0.822 -0.106) 1.483 4.025 ( 1.230 0.822 -0.106) 1.483 4.146 ( 0.264 -1.695 -0.484) 1.783 4.146 ( 0.264 1.695 -0.484) 1.783 4.266 ( 2.058 -0.194 0.031) 2.068 4.266 ( 2.058 0.194 0.031) 2.068 4.520 ( 2.252 -0.248 -0.037) 2.266 4.520 ( 2.252 0.248 -0.037) 2.266 5.029 ( -2.615 -1.448 0.035) 2.990 5.029 ( -2.615 1.448 0.035) 2.990 5.120 ( 1.482 -0.499 -0.179) 1.574 5.120 ( 1.482 0.499 -0.179) 1.574 5.621 ( -0.265 -0.383 0.126) 0.483 5.621 ( -0.265 0.383 0.126) 0.483 5.871 ( 0.159 -0.202 0.037) 0.260 5.871 ( 0.159 0.202 0.037) 0.260 6.135 ( -1.436 -0.671 0.148) 1.592 6.135 ( -1.436 0.671 0.148) 1.592 8.652 ( -1.496 -0.176 -0.917) 1.764 8.652 ( -1.496 0.176 -0.917) 1.764 12.755 ( 1.529 -0.978 -1.016) 2.080 12.755 ( 1.529 0.978 -1.016) 2.080 12.849 ( 2.891 -0.740 2.682) 4.013 12.849 ( 2.891 0.740 2.682) 4.013 13.118 ( 1.716 -0.788 -0.923) 2.102 13.118 ( 1.716 0.788 -0.923) 2.102 13.266 ( 1.509 -1.482 -0.763) 2.249 13.266 ( 1.509 1.482 -0.763) 2.249 13.415 ( 1.562 -0.464 1.242) 2.049 13.415 ( 1.562 0.464 1.242) 2.049 ======================= Grid point 161 (82/84) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 3.856 -6.021 -0.117) 7.151 0.519 ( 3.856 6.021 -0.117) 7.151 0.725 ( 4.334 -0.650 -2.759) 5.179 0.725 ( 4.334 0.650 -2.759) 5.179 0.795 ( 1.422 -2.914 -2.454) 4.066 0.795 ( 1.422 2.914 -2.454) 4.066 0.936 ( 0.084 -3.355 2.761) 4.346 0.936 ( 0.084 3.355 2.761) 4.346 1.134 ( 0.760 -2.182 0.708) 2.416 1.134 ( 0.760 2.182 0.708) 2.416 1.221 ( 3.886 -1.888 -0.232) 4.326 1.221 ( 3.886 1.888 -0.232) 4.326 1.316 ( 2.392 -2.371 0.180) 3.373 1.316 ( 2.392 2.371 0.180) 3.373 1.399 ( 4.805 -1.327 1.052) 5.095 1.399 ( 4.805 1.327 1.052) 5.095 1.567 ( -0.486 -1.597 0.826) 1.862 1.567 ( -0.486 1.597 0.826) 1.862 1.682 ( 4.953 -4.529 -2.321) 7.102 1.682 ( 4.953 4.529 -2.321) 7.102 1.780 ( 1.137 -2.412 0.377) 2.693 1.780 ( 1.137 2.412 0.377) 2.693 1.867 ( -1.596 -3.155 -0.394) 3.558 1.867 ( -1.596 3.155 -0.394) 3.558 1.950 ( -1.909 -4.557 -1.759) 5.244 1.950 ( -1.909 4.557 -1.759) 5.244 2.200 ( 0.699 -0.917 -0.183) 1.168 2.200 ( 0.699 0.917 -0.183) 1.168 2.394 ( -0.365 -3.193 0.249) 3.224 2.394 ( -0.365 3.193 0.249) 3.224 2.523 ( -3.335 -0.733 -0.303) 3.427 2.523 ( -3.335 0.733 -0.303) 3.427 2.793 ( -1.500 -0.918 0.354) 1.794 2.793 ( -1.500 0.918 0.354) 1.794 2.820 ( -2.776 -0.200 0.020) 2.783 2.820 ( -2.776 0.200 0.020) 2.783 2.989 ( 0.967 -1.556 -0.033) 1.832 2.989 ( 0.967 1.556 -0.033) 1.832 3.217 ( -6.813 -0.054 0.496) 6.831 3.217 ( -6.813 0.054 0.496) 6.831 3.781 ( -0.487 -1.446 0.090) 1.528 3.781 ( -0.487 1.446 0.090) 1.528 4.047 ( 1.460 -0.224 -0.382) 1.525 4.047 ( 1.460 0.224 -0.382) 1.525 4.140 ( 0.258 -1.625 -0.827) 1.842 4.140 ( 0.258 1.625 -0.827) 1.842 4.301 ( 1.680 -0.373 0.175) 1.730 4.301 ( 1.680 0.373 0.175) 1.730 4.576 ( 4.331 -0.354 0.146) 4.347 4.576 ( 4.331 0.354 0.146) 4.347 4.973 ( -4.229 -1.805 0.076) 4.598 4.973 ( -4.229 1.805 0.076) 4.598 5.147 ( 1.897 -0.164 -0.172) 1.912 5.147 ( 1.897 0.164 -0.172) 1.912 5.617 ( -0.312 -0.538 0.061) 0.625 5.617 ( -0.312 0.538 0.061) 0.625 5.874 ( -0.058 -0.381 0.127) 0.406 5.874 ( -0.058 0.381 0.127) 0.406 6.106 ( -2.238 -1.015 0.359) 2.484 6.106 ( -2.238 1.015 0.359) 2.484 8.610 ( -2.004 -0.093 -1.113) 2.294 8.610 ( -2.004 0.093 -1.113) 2.294 12.771 ( 1.631 -1.014 -0.882) 2.113 12.771 ( 1.631 1.014 -0.882) 2.113 12.938 ( 2.475 -0.912 3.853) 4.670 12.938 ( 2.475 0.912 3.853) 4.670 13.146 ( 3.352 -1.285 -1.400) 3.853 13.146 ( 3.352 1.285 -1.400) 3.853 13.293 ( 3.062 -2.998 -1.056) 4.413 13.293 ( 3.062 2.998 -1.056) 4.413 13.461 ( 1.816 -0.596 1.293) 2.308 13.461 ( 1.816 0.596 1.293) 2.308 ======================= Grid point 163 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 5.700 -3.893 -0.485) 6.920 0.608 ( 5.700 3.893 -0.485) 6.920 0.690 ( -0.243 -4.019 -2.305) 4.640 0.690 ( -0.243 4.019 -2.305) 4.640 0.860 ( 4.111 -3.962 -0.287) 5.716 0.860 ( 4.111 3.962 -0.287) 5.716 0.970 ( 2.080 -5.895 2.428) 6.706 0.970 ( 2.080 5.895 2.428) 6.706 1.123 ( -2.043 -3.409 -1.086) 4.120 1.123 ( -2.043 3.409 -1.086) 4.120 1.232 ( -0.766 -1.456 -1.412) 2.168 1.232 ( -0.766 1.456 -1.412) 2.168 1.352 ( 0.876 -2.105 2.834) 3.637 1.352 ( 0.876 2.105 2.834) 3.637 1.478 ( 0.572 -1.501 0.108) 1.610 1.478 ( 0.572 1.501 0.108) 1.610 1.581 ( 2.200 -2.162 0.529) 3.129 1.581 ( 2.200 2.162 0.529) 3.129 1.713 ( -0.034 -4.663 -0.240) 4.669 1.713 ( -0.034 4.663 -0.240) 4.669 1.834 ( 0.913 -4.075 -0.433) 4.198 1.834 ( 0.913 4.075 -0.433) 4.198 1.875 ( 3.359 -2.164 -0.918) 4.100 1.875 ( 3.359 2.164 -0.918) 4.100 1.920 ( 3.988 -3.011 -0.683) 5.043 1.920 ( 3.988 3.011 -0.683) 5.043 2.213 ( 2.496 -0.692 -0.936) 2.754 2.213 ( 2.496 0.692 -0.936) 2.754 2.400 ( 0.391 -2.872 0.368) 2.922 2.400 ( 0.391 2.872 0.368) 2.922 2.463 ( -2.848 -1.111 -0.702) 3.137 2.463 ( -2.848 1.111 -0.702) 3.137 2.751 ( -5.098 -0.424 -0.081) 5.117 2.751 ( -5.098 0.424 -0.081) 5.117 2.798 ( 0.869 -1.057 0.549) 1.474 2.798 ( 0.869 1.057 0.549) 1.474 2.977 ( -2.785 -1.131 0.230) 3.014 2.977 ( -2.785 1.131 0.230) 3.014 3.121 ( -4.861 -0.105 0.372) 4.877 3.121 ( -4.861 0.105 0.372) 4.877 3.781 ( 0.258 -1.319 0.164) 1.354 3.781 ( 0.258 1.319 0.164) 1.354 4.058 ( 0.611 -1.550 -0.517) 1.744 4.058 ( 0.611 1.550 -0.517) 1.744 4.137 ( 0.396 -0.227 -0.738) 0.867 4.137 ( 0.396 0.227 -0.738) 0.867 4.328 ( 1.332 -0.326 0.352) 1.416 4.328 ( 1.332 0.326 0.352) 1.416 4.654 ( 4.648 -0.251 0.111) 4.656 4.654 ( 4.648 0.251 0.111) 4.656 4.897 ( -4.951 -1.673 0.130) 5.228 4.897 ( -4.951 1.673 0.130) 5.228 5.173 ( 1.247 -0.091 -0.099) 1.254 5.173 ( 1.247 0.091 -0.099) 1.254 5.615 ( 0.149 -0.389 -0.065) 0.421 5.615 ( 0.149 0.389 -0.065) 0.421 5.871 ( -0.444 -0.257 0.129) 0.529 5.871 ( -0.444 0.257 0.129) 0.529 6.074 ( -2.055 -0.856 0.432) 2.268 6.074 ( -2.055 0.856 0.432) 2.268 8.567 ( -1.737 -0.207 -0.780) 1.915 8.567 ( -1.737 0.207 -0.780) 1.915 12.785 ( 1.003 -0.569 -0.460) 1.241 12.785 ( 1.003 0.569 -0.460) 1.241 13.001 ( 0.402 -0.325 2.735) 2.783 13.001 ( 0.402 0.325 2.735) 2.783 13.190 ( 3.351 -1.273 -1.015) 3.726 13.190 ( 3.351 1.273 -1.015) 3.726 13.338 ( 3.223 -3.466 -0.482) 4.758 13.338 ( 3.223 3.466 -0.482) 4.758 13.497 ( 1.285 -0.500 0.364) 1.426 13.497 ( 1.285 0.500 0.364) 1.426 ======================= Grid point 165 (84/84) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 2.852 -3.164 -1.624) 4.559 0.657 ( 2.852 3.164 -1.624) 4.559 0.682 ( -1.293 -4.817 0.759) 5.045 0.682 ( -1.293 4.817 0.759) 5.045 0.933 ( 5.062 -3.297 0.973) 6.118 0.933 ( 5.062 3.297 0.973) 6.118 1.024 ( -2.116 -3.071 -0.899) 3.837 1.024 ( -2.116 3.071 -0.899) 3.837 1.088 ( 2.210 -2.080 1.831) 3.545 1.088 ( 2.210 2.080 1.831) 3.545 1.178 ( -3.179 -2.254 -2.349) 4.551 1.178 ( -3.179 2.254 -2.349) 4.551 1.391 ( 0.284 -0.767 1.609) 1.805 1.391 ( 0.284 0.767 1.609) 1.805 1.458 ( -0.956 -1.313 -0.478) 1.693 1.458 ( -0.956 1.313 -0.478) 1.693 1.628 ( 1.725 -2.408 0.789) 3.066 1.628 ( 1.725 2.408 0.789) 3.066 1.691 ( -1.281 -2.762 -0.597) 3.103 1.691 ( -1.281 2.762 -0.597) 3.103 1.842 ( 1.299 -3.800 -1.370) 4.243 1.842 ( 1.299 3.800 -1.370) 4.243 1.860 ( -1.998 -0.339 1.451) 2.492 1.860 ( -1.998 0.339 1.451) 2.492 2.034 ( 5.038 -1.279 -0.415) 5.214 2.034 ( 5.038 1.279 -0.415) 5.214 2.256 ( 2.163 -0.482 -0.466) 2.265 2.256 ( 2.163 0.482 -0.466) 2.265 2.402 ( 0.045 -0.749 -0.355) 0.830 2.402 ( 0.045 0.749 -0.355) 0.830 2.451 ( 2.382 -1.268 0.009) 2.699 2.451 ( 2.382 1.268 0.009) 2.699 2.646 ( -6.433 -0.114 0.023) 6.434 2.646 ( -6.433 0.114 0.023) 6.434 2.840 ( 3.195 -0.752 0.257) 3.292 2.840 ( 3.195 0.752 0.257) 3.292 2.913 ( -4.400 -0.414 0.142) 4.422 2.913 ( -4.400 0.414 0.142) 4.422 3.076 ( -1.221 -0.206 0.125) 1.244 3.076 ( -1.221 0.206 0.125) 1.244 3.789 ( 0.316 -0.473 0.063) 0.572 3.789 ( 0.316 0.473 0.063) 0.572 4.058 ( 0.088 -0.952 -0.314) 1.006 4.058 ( 0.088 0.952 -0.314) 1.006 4.136 ( 0.076 -0.363 -0.172) 0.409 4.136 ( 0.076 0.363 -0.172) 0.409 4.350 ( 0.791 -0.124 0.173) 0.820 4.350 ( 0.791 0.124 0.173) 0.820 4.724 ( 3.393 -0.181 -0.065) 3.398 4.724 ( 3.393 0.181 -0.065) 3.398 4.823 ( -3.723 -0.975 0.144) 3.851 4.823 ( -3.723 0.975 0.144) 3.851 5.184 ( 0.277 -0.067 -0.043) 0.288 5.184 ( 0.277 0.067 -0.043) 0.288 5.619 ( 0.278 -0.116 -0.048) 0.305 5.619 ( 0.278 0.116 -0.048) 0.305 5.865 ( -0.305 -0.048 0.054) 0.313 5.865 ( -0.305 0.048 0.054) 0.313 6.053 ( -0.846 -0.329 0.197) 0.929 6.053 ( -0.846 0.329 0.197) 0.929 8.539 ( -0.718 -0.138 -0.284) 0.785 8.539 ( -0.718 0.138 -0.284) 0.785 12.793 ( 0.319 -0.152 -0.127) 0.375 12.793 ( 0.319 0.152 -0.127) 0.375 13.022 ( -0.092 -0.055 0.874) 0.880 13.022 ( -0.092 0.055 0.874) 0.880 13.221 ( 1.297 -0.586 -0.361) 1.468 13.221 ( 1.297 0.586 -0.361) 1.468 13.376 ( 1.304 -1.662 0.020) 2.113 13.376 ( 1.304 1.662 0.020) 2.113 13.513 ( 0.501 -0.243 -0.108) 0.567 13.513 ( 0.501 0.243 -0.108) 0.567 =================== 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 3/15552 10.0 2.781 2.414 2.492 0.000 0.399 0.000 3/15552 20.0 1.039 0.794 0.756 0.000 0.118 0.000 3/15552 30.0 0.708 0.482 0.444 0.000 0.064 0.000 3/15552 40.0 0.574 0.353 0.319 0.000 0.044 0.000 3/15552 50.0 0.493 0.281 0.251 0.000 0.034 0.000 3/15552 60.0 0.435 0.234 0.208 0.000 0.028 0.000 3/15552 70.0 0.390 0.201 0.178 0.000 0.024 0.000 3/15552 80.0 0.354 0.176 0.156 0.000 0.021 0.000 3/15552 90.0 0.324 0.157 0.139 0.000 0.018 0.000 3/15552 100.0 0.299 0.142 0.126 0.000 0.016 0.000 3/15552 110.0 0.278 0.130 0.116 0.000 0.015 0.000 3/15552 120.0 0.260 0.120 0.108 0.000 0.014 0.000 3/15552 130.0 0.245 0.111 0.101 0.000 0.013 0.000 3/15552 140.0 0.232 0.104 0.095 0.000 0.012 0.000 3/15552 150.0 0.220 0.098 0.089 0.000 0.011 0.000 3/15552 160.0 0.209 0.092 0.085 0.000 0.010 0.000 3/15552 170.0 0.200 0.087 0.081 0.000 0.010 0.000 3/15552 180.0 0.191 0.083 0.077 0.000 0.009 0.000 3/15552 190.0 0.183 0.079 0.074 0.000 0.009 0.000 3/15552 200.0 0.176 0.075 0.071 0.000 0.008 0.000 3/15552 210.0 0.170 0.072 0.069 0.000 0.008 0.000 3/15552 220.0 0.163 0.069 0.066 0.000 0.008 0.000 3/15552 230.0 0.158 0.066 0.064 0.000 0.007 0.000 3/15552 240.0 0.152 0.064 0.062 0.000 0.007 0.000 3/15552 250.0 0.147 0.061 0.060 0.000 0.007 0.000 3/15552 260.0 0.143 0.059 0.058 0.000 0.007 0.000 3/15552 270.0 0.138 0.057 0.056 0.000 0.006 0.000 3/15552 280.0 0.134 0.055 0.054 0.000 0.006 0.000 3/15552 290.0 0.130 0.054 0.053 0.000 0.006 0.000 3/15552 300.0 0.126 0.052 0.051 0.000 0.006 0.000 3/15552 310.0 0.123 0.050 0.050 0.000 0.005 0.000 3/15552 320.0 0.120 0.049 0.049 0.000 0.005 0.000 3/15552 330.0 0.117 0.048 0.047 0.000 0.005 0.000 3/15552 340.0 0.114 0.046 0.046 0.000 0.005 0.000 3/15552 350.0 0.111 0.045 0.045 0.000 0.005 0.000 3/15552 360.0 0.108 0.044 0.044 0.000 0.005 0.000 3/15552 370.0 0.105 0.043 0.043 0.000 0.005 0.000 3/15552 380.0 0.103 0.042 0.042 0.000 0.004 0.000 3/15552 390.0 0.101 0.041 0.041 0.000 0.004 0.000 3/15552 400.0 0.098 0.040 0.040 0.000 0.004 0.000 3/15552 410.0 0.096 0.039 0.039 0.000 0.004 0.000 3/15552 420.0 0.094 0.038 0.038 0.000 0.004 0.000 3/15552 430.0 0.092 0.037 0.037 0.000 0.004 0.000 3/15552 440.0 0.090 0.036 0.037 0.000 0.004 0.000 3/15552 450.0 0.088 0.036 0.036 0.000 0.004 0.000 3/15552 460.0 0.087 0.035 0.035 0.000 0.004 0.000 3/15552 470.0 0.085 0.034 0.035 0.000 0.004 0.000 3/15552 480.0 0.083 0.033 0.034 0.000 0.004 0.000 3/15552 490.0 0.082 0.033 0.033 0.000 0.003 0.000 3/15552 500.0 0.080 0.032 0.033 0.000 0.003 0.000 3/15552 510.0 0.079 0.032 0.032 0.000 0.003 0.000 3/15552 520.0 0.077 0.031 0.032 0.000 0.003 0.000 3/15552 530.0 0.076 0.030 0.031 0.000 0.003 0.000 3/15552 540.0 0.075 0.030 0.030 0.000 0.003 0.000 3/15552 550.0 0.073 0.029 0.030 0.000 0.003 0.000 3/15552 560.0 0.072 0.029 0.029 0.000 0.003 0.000 3/15552 570.0 0.071 0.028 0.029 0.000 0.003 0.000 3/15552 580.0 0.070 0.028 0.028 0.000 0.003 0.000 3/15552 590.0 0.069 0.027 0.028 0.000 0.003 0.000 3/15552 600.0 0.068 0.027 0.028 0.000 0.003 0.000 3/15552 610.0 0.067 0.027 0.027 0.000 0.003 0.000 3/15552 620.0 0.066 0.026 0.027 0.000 0.003 0.000 3/15552 630.0 0.065 0.026 0.026 0.000 0.003 0.000 3/15552 640.0 0.064 0.025 0.026 0.000 0.003 0.000 3/15552 650.0 0.063 0.025 0.026 0.000 0.003 0.000 3/15552 660.0 0.062 0.025 0.025 0.000 0.003 0.000 3/15552 670.0 0.061 0.024 0.025 0.000 0.003 0.000 3/15552 680.0 0.060 0.024 0.024 0.000 0.002 0.000 3/15552 690.0 0.059 0.024 0.024 0.000 0.002 0.000 3/15552 700.0 0.058 0.023 0.024 0.000 0.002 0.000 3/15552 710.0 0.058 0.023 0.023 0.000 0.002 0.000 3/15552 720.0 0.057 0.023 0.023 0.000 0.002 0.000 3/15552 730.0 0.056 0.022 0.023 0.000 0.002 0.000 3/15552 740.0 0.055 0.022 0.023 0.000 0.002 0.000 3/15552 750.0 0.055 0.022 0.022 0.000 0.002 0.000 3/15552 760.0 0.054 0.021 0.022 0.000 0.002 0.000 3/15552 770.0 0.053 0.021 0.022 0.000 0.002 0.000 3/15552 780.0 0.053 0.021 0.021 0.000 0.002 0.000 3/15552 790.0 0.052 0.021 0.021 0.000 0.002 0.000 3/15552 800.0 0.051 0.020 0.021 0.000 0.002 0.000 3/15552 810.0 0.051 0.020 0.021 0.000 0.002 0.000 3/15552 820.0 0.050 0.020 0.020 0.000 0.002 0.000 3/15552 830.0 0.050 0.020 0.020 0.000 0.002 0.000 3/15552 840.0 0.049 0.019 0.020 0.000 0.002 0.000 3/15552 850.0 0.049 0.019 0.020 0.000 0.002 0.000 3/15552 860.0 0.048 0.019 0.020 0.000 0.002 0.000 3/15552 870.0 0.047 0.019 0.019 0.000 0.002 0.000 3/15552 880.0 0.047 0.019 0.019 0.000 0.002 0.000 3/15552 890.0 0.046 0.018 0.019 0.000 0.002 0.000 3/15552 900.0 0.046 0.018 0.019 0.000 0.002 0.000 3/15552 910.0 0.045 0.018 0.019 0.000 0.002 0.000 3/15552 920.0 0.045 0.018 0.018 0.000 0.002 0.000 3/15552 930.0 0.044 0.018 0.018 0.000 0.002 0.000 3/15552 940.0 0.044 0.017 0.018 0.000 0.002 0.000 3/15552 950.0 0.044 0.017 0.018 0.000 0.002 0.000 3/15552 960.0 0.043 0.017 0.018 0.000 0.002 0.000 3/15552 970.0 0.043 0.017 0.017 0.000 0.002 0.000 3/15552 980.0 0.042 0.017 0.017 0.000 0.002 0.000 3/15552 990.0 0.042 0.017 0.017 0.000 0.002 0.000 3/15552 1000.0 0.041 0.016 0.017 0.000 0.002 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m946.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:14:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|