----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:45:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.779649964982587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.102388300000000 0.000000000000000 c -1.273951526614841 0.000000000000000 5.614549393480955 Atomic positions (fractional): *1 Li 0.16068848218592 0.63988949062243 0.67727290227601 6.941 2 Li 0.83931151781408 0.36011050937757 0.32272709772399 6.941 3 Li 0.16068848218592 0.86011050937757 0.17727290227601 6.941 4 Li 0.83931151781408 0.13988949062243 0.82272709772399 6.941 *5 O 0.58902759256487 0.26105180156182 0.51707524009004 15.999 6 O 0.58902759256487 0.23894819843818 0.01707524009004 15.999 7 O 0.41097240743513 0.76105180156182 0.98292475990996 15.999 8 O 0.41097240743513 0.73894819843818 0.48292475990996 15.999 *9 O 0.07146339087140 0.13146924689628 0.29296353023840 15.999 10 O 0.92853660912860 0.63146924689628 0.20703646976160 15.999 11 O 0.92853660912860 0.86853075310372 0.70703646976160 15.999 12 O 0.07146339087140 0.36853075310372 0.79296353023840 15.999 *13 Pr 0.29937128819323 0.43065937116492 0.19675164460147 140.908 14 Pr 0.70062871180677 0.93065937116492 0.30324835539853 140.908 15 Pr 0.70062871180677 0.56934062883508 0.80324835539853 140.908 16 Pr 0.29937128819323 0.06934062883508 0.69675164460147 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.779649964982587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.102388300000000 0.000000000000000 c -1.273951526614841 0.000000000000000 5.614549393480955 Atomic positions (fractional): *1 Li 0.16068848218592 0.63988949062243 0.67727290227601 6.941 > 1 2 Li 0.83931151781408 0.36011050937757 0.32272709772399 6.941 > 2 3 Li 0.16068848218592 0.86011050937757 0.17727290227601 6.941 > 3 4 Li 0.83931151781408 0.13988949062243 0.82272709772399 6.941 > 4 *5 O 0.58902759256487 0.26105180156182 0.51707524009004 15.999 > 5 6 O 0.58902759256487 0.23894819843818 0.01707524009004 15.999 > 6 7 O 0.41097240743513 0.76105180156182 0.98292475990996 15.999 > 7 8 O 0.41097240743513 0.73894819843818 0.48292475990996 15.999 > 8 *9 O 0.07146339087140 0.13146924689628 0.29296353023840 15.999 > 9 10 O 0.92853660912860 0.63146924689628 0.20703646976160 15.999 > 10 11 O 0.92853660912860 0.86853075310372 0.70703646976160 15.999 > 11 12 O 0.07146339087140 0.36853075310372 0.79296353023840 15.999 > 12 *13 Pr 0.29937128819323 0.43065937116492 0.19675164460147 140.908 > 13 14 Pr 0.70062871180677 0.93065937116492 0.30324835539853 140.908 > 14 15 Pr 0.70062871180677 0.56934062883508 0.80324835539853 140.908 > 15 16 Pr 0.29937128819323 0.06934062883508 0.69675164460147 140.908 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.559299929965174 0.000000000000000 0.000000000000000 b 0.000000000000000 12.204776600000001 0.000000000000000 c -2.547903053229682 0.000000000000000 11.229098786961909 Atomic positions (fractional): *1 Li 0.08034424109296 0.31994474531122 0.33863645113801 6.941 > 1 2 Li 0.58034424109296 0.31994474531122 0.33863645113801 6.941 > 1 3 Li 0.08034424109296 0.81994474531122 0.33863645113801 6.941 > 1 4 Li 0.58034424109296 0.81994474531122 0.33863645113801 6.941 > 1 5 Li 0.08034424109296 0.31994474531122 0.83863645113801 6.941 > 1 6 Li 0.58034424109296 0.31994474531122 0.83863645113801 6.941 > 1 7 Li 0.08034424109296 0.81994474531122 0.83863645113801 6.941 > 1 8 Li 0.58034424109296 0.81994474531122 0.83863645113801 6.941 > 1 9 Li 0.41965575890704 0.18005525468878 0.16136354886199 6.941 > 2 10 Li 0.91965575890704 0.18005525468878 0.16136354886199 6.941 > 2 11 Li 0.41965575890704 0.68005525468878 0.16136354886199 6.941 > 2 12 Li 0.91965575890704 0.68005525468878 0.16136354886199 6.941 > 2 13 Li 0.41965575890704 0.18005525468878 0.66136354886199 6.941 > 2 14 Li 0.91965575890704 0.18005525468878 0.66136354886199 6.941 > 2 15 Li 0.41965575890704 0.68005525468878 0.66136354886199 6.941 > 2 16 Li 0.91965575890704 0.68005525468878 0.66136354886199 6.941 > 2 17 Li 0.08034424109296 0.43005525468878 0.08863645113801 6.941 > 3 18 Li 0.58034424109296 0.43005525468878 0.08863645113801 6.941 > 3 19 Li 0.08034424109296 0.93005525468878 0.08863645113801 6.941 > 3 20 Li 0.58034424109296 0.93005525468878 0.08863645113801 6.941 > 3 21 Li 0.08034424109296 0.43005525468878 0.58863645113801 6.941 > 3 22 Li 0.58034424109296 0.43005525468878 0.58863645113801 6.941 > 3 23 Li 0.08034424109296 0.93005525468878 0.58863645113801 6.941 > 3 24 Li 0.58034424109296 0.93005525468878 0.58863645113801 6.941 > 3 25 Li 0.41965575890704 0.06994474531122 0.41136354886199 6.941 > 4 26 Li 0.91965575890704 0.06994474531122 0.41136354886199 6.941 > 4 27 Li 0.41965575890704 0.56994474531121 0.41136354886199 6.941 > 4 28 Li 0.91965575890704 0.56994474531121 0.41136354886199 6.941 > 4 29 Li 0.41965575890704 0.06994474531122 0.91136354886199 6.941 > 4 30 Li 0.91965575890704 0.06994474531122 0.91136354886199 6.941 > 4 31 Li 0.41965575890704 0.56994474531121 0.91136354886199 6.941 > 4 32 Li 0.91965575890704 0.56994474531121 0.91136354886199 6.941 > 4 *33 O 0.29451379628243 0.13052590078091 0.25853762004502 15.999 > 5 34 O 0.79451379628243 0.13052590078091 0.25853762004502 15.999 > 5 35 O 0.29451379628243 0.63052590078091 0.25853762004502 15.999 > 5 36 O 0.79451379628243 0.63052590078091 0.25853762004502 15.999 > 5 37 O 0.29451379628243 0.13052590078091 0.75853762004502 15.999 > 5 38 O 0.79451379628243 0.13052590078091 0.75853762004502 15.999 > 5 39 O 0.29451379628243 0.63052590078091 0.75853762004502 15.999 > 5 40 O 0.79451379628243 0.63052590078091 0.75853762004502 15.999 > 5 41 O 0.29451379628243 0.11947409921909 0.00853762004502 15.999 > 6 42 O 0.79451379628243 0.11947409921909 0.00853762004502 15.999 > 6 43 O 0.29451379628243 0.61947409921909 0.00853762004502 15.999 > 6 44 O 0.79451379628243 0.61947409921909 0.00853762004502 15.999 > 6 45 O 0.29451379628243 0.11947409921909 0.50853762004502 15.999 > 6 46 O 0.79451379628243 0.11947409921909 0.50853762004502 15.999 > 6 47 O 0.29451379628243 0.61947409921909 0.50853762004502 15.999 > 6 48 O 0.79451379628243 0.61947409921909 0.50853762004502 15.999 > 6 49 O 0.20548620371757 0.38052590078091 0.49146237995498 15.999 > 7 50 O 0.70548620371757 0.38052590078091 0.49146237995498 15.999 > 7 51 O 0.20548620371757 0.88052590078091 0.49146237995498 15.999 > 7 52 O 0.70548620371757 0.88052590078091 0.49146237995498 15.999 > 7 53 O 0.20548620371757 0.38052590078091 0.99146237995498 15.999 > 7 54 O 0.70548620371757 0.38052590078091 0.99146237995498 15.999 > 7 55 O 0.20548620371757 0.88052590078091 0.99146237995498 15.999 > 7 56 O 0.70548620371757 0.88052590078091 0.99146237995498 15.999 > 7 57 O 0.20548620371757 0.36947409921909 0.24146237995498 15.999 > 8 58 O 0.70548620371757 0.36947409921909 0.24146237995498 15.999 > 8 59 O 0.20548620371757 0.86947409921909 0.24146237995498 15.999 > 8 60 O 0.70548620371757 0.86947409921909 0.24146237995498 15.999 > 8 61 O 0.20548620371757 0.36947409921909 0.74146237995498 15.999 > 8 62 O 0.70548620371757 0.36947409921909 0.74146237995498 15.999 > 8 63 O 0.20548620371757 0.86947409921909 0.74146237995498 15.999 > 8 64 O 0.70548620371757 0.86947409921909 0.74146237995498 15.999 > 8 *65 O 0.03573169543570 0.06573462344814 0.14648176511920 15.999 > 9 66 O 0.53573169543570 0.06573462344814 0.14648176511920 15.999 > 9 67 O 0.03573169543570 0.56573462344814 0.14648176511920 15.999 > 9 68 O 0.53573169543570 0.56573462344814 0.14648176511920 15.999 > 9 69 O 0.03573169543570 0.06573462344814 0.64648176511920 15.999 > 9 70 O 0.53573169543570 0.06573462344814 0.64648176511920 15.999 > 9 71 O 0.03573169543570 0.56573462344814 0.64648176511920 15.999 > 9 72 O 0.53573169543570 0.56573462344814 0.64648176511920 15.999 > 9 73 O 0.46426830456430 0.31573462344814 0.10351823488080 15.999 > 10 74 O 0.96426830456430 0.31573462344814 0.10351823488080 15.999 > 10 75 O 0.46426830456430 0.81573462344814 0.10351823488080 15.999 > 10 76 O 0.96426830456430 0.81573462344814 0.10351823488080 15.999 > 10 77 O 0.46426830456430 0.31573462344814 0.60351823488080 15.999 > 10 78 O 0.96426830456430 0.31573462344814 0.60351823488080 15.999 > 10 79 O 0.46426830456430 0.81573462344814 0.60351823488080 15.999 > 10 80 O 0.96426830456430 0.81573462344814 0.60351823488080 15.999 > 10 81 O 0.46426830456430 0.43426537655186 0.35351823488080 15.999 > 11 82 O 0.96426830456430 0.43426537655186 0.35351823488080 15.999 > 11 83 O 0.46426830456430 0.93426537655186 0.35351823488080 15.999 > 11 84 O 0.96426830456430 0.93426537655186 0.35351823488080 15.999 > 11 85 O 0.46426830456430 0.43426537655186 0.85351823488080 15.999 > 11 86 O 0.96426830456430 0.43426537655186 0.85351823488080 15.999 > 11 87 O 0.46426830456430 0.93426537655186 0.85351823488080 15.999 > 11 88 O 0.96426830456430 0.93426537655186 0.85351823488080 15.999 > 11 89 O 0.03573169543570 0.18426537655186 0.39648176511920 15.999 > 12 90 O 0.53573169543570 0.18426537655186 0.39648176511920 15.999 > 12 91 O 0.03573169543570 0.68426537655186 0.39648176511920 15.999 > 12 92 O 0.53573169543570 0.68426537655186 0.39648176511920 15.999 > 12 93 O 0.03573169543570 0.18426537655186 0.89648176511920 15.999 > 12 94 O 0.53573169543570 0.18426537655186 0.89648176511920 15.999 > 12 95 O 0.03573169543570 0.68426537655186 0.89648176511920 15.999 > 12 96 O 0.53573169543570 0.68426537655186 0.89648176511920 15.999 > 12 *97 Pr 0.14968564409661 0.21532968558246 0.09837582230073 140.908 > 13 98 Pr 0.64968564409661 0.21532968558246 0.09837582230073 140.908 > 13 99 Pr 0.14968564409661 0.71532968558246 0.09837582230073 140.908 > 13 100 Pr 0.64968564409661 0.71532968558246 0.09837582230073 140.908 > 13 101 Pr 0.14968564409661 0.21532968558246 0.59837582230073 140.908 > 13 102 Pr 0.64968564409661 0.21532968558246 0.59837582230073 140.908 > 13 103 Pr 0.14968564409661 0.71532968558246 0.59837582230073 140.908 > 13 104 Pr 0.64968564409661 0.71532968558246 0.59837582230073 140.908 > 13 105 Pr 0.35031435590338 0.46532968558246 0.15162417769927 140.908 > 14 106 Pr 0.85031435590338 0.46532968558246 0.15162417769927 140.908 > 14 107 Pr 0.35031435590338 0.96532968558246 0.15162417769927 140.908 > 14 108 Pr 0.85031435590338 0.96532968558246 0.15162417769927 140.908 > 14 109 Pr 0.35031435590338 0.46532968558246 0.65162417769927 140.908 > 14 110 Pr 0.85031435590338 0.46532968558246 0.65162417769927 140.908 > 14 111 Pr 0.35031435590338 0.96532968558246 0.65162417769927 140.908 > 14 112 Pr 0.85031435590338 0.96532968558246 0.65162417769927 140.908 > 14 113 Pr 0.35031435590338 0.28467031441754 0.40162417769927 140.908 > 15 114 Pr 0.85031435590338 0.28467031441754 0.40162417769927 140.908 > 15 115 Pr 0.35031435590338 0.78467031441754 0.40162417769927 140.908 > 15 116 Pr 0.85031435590338 0.78467031441754 0.40162417769927 140.908 > 15 117 Pr 0.35031435590338 0.28467031441754 0.90162417769927 140.908 > 15 118 Pr 0.85031435590338 0.28467031441754 0.90162417769927 140.908 > 15 119 Pr 0.35031435590338 0.78467031441754 0.90162417769927 140.908 > 15 120 Pr 0.85031435590338 0.78467031441754 0.90162417769927 140.908 > 15 121 Pr 0.14968564409661 0.03467031441754 0.34837582230073 140.908 > 16 122 Pr 0.64968564409661 0.03467031441754 0.34837582230073 140.908 > 16 123 Pr 0.14968564409661 0.53467031441754 0.34837582230073 140.908 > 16 124 Pr 0.64968564409661 0.53467031441754 0.34837582230073 140.908 > 16 125 Pr 0.14968564409661 0.03467031441754 0.84837582230073 140.908 > 16 126 Pr 0.64968564409661 0.03467031441754 0.84837582230073 140.908 > 16 127 Pr 0.14968564409661 0.53467031441754 0.84837582230073 140.908 > 16 128 Pr 0.64968564409661 0.53467031441754 0.84837582230073 140.908 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4796053 0.0000000 0.0249864 0.0000000 4.5830676 0.0000000 0.0249878 0.0000000 4.4752751 -------------------------- Born effective charges -------------------------- 1 Li 1.0267057 0.0271778 0.0498872 0.0672308 0.9359448 -0.0229672 0.0423857 -0.0365581 1.0457411 2 Li 1.0267057 0.0271778 0.0498872 0.0672308 0.9359448 -0.0229672 0.0423857 -0.0365581 1.0457411 3 Li 1.0267057 -0.0271778 0.0498872 -0.0672308 0.9359448 0.0229672 0.0423857 0.0365581 1.0457411 4 Li 1.0267057 -0.0271778 0.0498872 -0.0672308 0.9359448 0.0229672 0.0423857 0.0365581 1.0457411 5 O -2.2522212 -0.0161163 0.0151499 0.0091244 -2.6425242 -0.1552553 -0.0058544 -0.2079938 -2.5744357 6 O -2.2522212 0.0161163 0.0151499 -0.0091244 -2.6425242 0.1552553 -0.0058544 0.2079938 -2.5744357 7 O -2.2522212 0.0161163 0.0151499 -0.0091244 -2.6425242 0.1552553 -0.0058544 0.2079938 -2.5744357 8 O -2.2522212 -0.0161163 0.0151499 0.0091244 -2.6425242 -0.1552553 -0.0058544 -0.2079938 -2.5744357 9 O -2.6517313 -0.5772411 -0.1016355 -0.7004381 -2.3580744 0.3350725 -0.1117265 0.2705413 -2.3013070 10 O -2.6517313 0.5772411 -0.1016355 0.7004381 -2.3580744 -0.3350725 -0.1117265 -0.2705413 -2.3013070 11 O -2.6517313 -0.5772411 -0.1016355 -0.7004381 -2.3580744 0.3350725 -0.1117265 0.2705413 -2.3013070 12 O -2.6517313 0.5772411 -0.1016355 0.7004381 -2.3580744 -0.3350725 -0.1117265 -0.2705413 -2.3013070 13 Pr 3.8772468 0.2202373 0.0365984 -0.0574842 4.0646538 -0.0688532 0.0751952 -0.1909084 3.8300016 14 Pr 3.8772468 -0.2202373 0.0365984 0.0574842 4.0646538 0.0688532 0.0751952 0.1909084 3.8300016 15 Pr 3.8772468 0.2202373 0.0365984 -0.0574842 4.0646538 -0.0688532 0.0751952 -0.1909084 3.8300016 16 Pr 3.8772468 -0.2202373 0.0365984 0.0574842 4.0646538 0.0688532 0.0751952 0.1909084 3.8300016 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.922 Solver_block: 200 / 480 - Time: 0.901 Solver_block: 300 / 480 - Time: 0.906 Solver_block: 400 / 480 - Time: 0.910 Solver_block: 480 / 480 - Time: 0.747 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.480 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:45:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.779649964982587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.102388300000000 0.000000000000000 c -1.273951526614841 0.000000000000000 5.614549393480955 Atomic positions (fractional): 1 Li 0.16068848218592 0.63988949062243 0.67727290227601 6.941 2 Li 0.83931151781408 0.36011050937757 0.32272709772399 6.941 3 Li 0.16068848218592 0.86011050937757 0.17727290227601 6.941 4 Li 0.83931151781408 0.13988949062243 0.82272709772399 6.941 5 O 0.58902759256487 0.26105180156182 0.51707524009004 15.999 6 O 0.58902759256487 0.23894819843818 0.01707524009004 15.999 7 O 0.41097240743513 0.76105180156182 0.98292475990996 15.999 8 O 0.41097240743513 0.73894819843818 0.48292475990996 15.999 9 O 0.07146339087140 0.13146924689628 0.29296353023840 15.999 10 O 0.92853660912860 0.63146924689628 0.20703646976160 15.999 11 O 0.92853660912860 0.86853075310372 0.70703646976160 15.999 12 O 0.07146339087140 0.36853075310372 0.79296353023840 15.999 13 Pr 0.29937128819323 0.43065937116492 0.19675164460147 140.908 14 Pr 0.70062871180677 0.93065937116492 0.30324835539853 140.908 15 Pr 0.70062871180677 0.56934062883508 0.80324835539853 140.908 16 Pr 0.29937128819323 0.06934062883508 0.69675164460147 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.559299929965174 0.000000000000000 0.000000000000000 b 0.000000000000000 12.204776600000001 0.000000000000000 c -2.547903053229682 0.000000000000000 11.229098786961909 Atomic positions (fractional): 1 Li 0.08034424109296 0.31994474531122 0.33863645113801 6.941 > 1 2 Li 0.58034424109296 0.31994474531122 0.33863645113801 6.941 > 1 3 Li 0.08034424109296 0.81994474531122 0.33863645113801 6.941 > 1 4 Li 0.58034424109296 0.81994474531122 0.33863645113801 6.941 > 1 5 Li 0.08034424109296 0.31994474531122 0.83863645113801 6.941 > 1 6 Li 0.58034424109296 0.31994474531122 0.83863645113801 6.941 > 1 7 Li 0.08034424109296 0.81994474531122 0.83863645113801 6.941 > 1 8 Li 0.58034424109296 0.81994474531122 0.83863645113801 6.941 > 1 9 Li 0.41965575890704 0.18005525468878 0.16136354886199 6.941 > 9 10 Li 0.91965575890704 0.18005525468878 0.16136354886199 6.941 > 9 11 Li 0.41965575890704 0.68005525468878 0.16136354886199 6.941 > 9 12 Li 0.91965575890704 0.68005525468878 0.16136354886199 6.941 > 9 13 Li 0.41965575890704 0.18005525468878 0.66136354886199 6.941 > 9 14 Li 0.91965575890704 0.18005525468878 0.66136354886199 6.941 > 9 15 Li 0.41965575890704 0.68005525468878 0.66136354886199 6.941 > 9 16 Li 0.91965575890704 0.68005525468878 0.66136354886199 6.941 > 9 17 Li 0.08034424109296 0.43005525468878 0.08863645113801 6.941 > 17 18 Li 0.58034424109296 0.43005525468878 0.08863645113801 6.941 > 17 19 Li 0.08034424109296 0.93005525468878 0.08863645113801 6.941 > 17 20 Li 0.58034424109296 0.93005525468878 0.08863645113801 6.941 > 17 21 Li 0.08034424109296 0.43005525468878 0.58863645113801 6.941 > 17 22 Li 0.58034424109296 0.43005525468878 0.58863645113801 6.941 > 17 23 Li 0.08034424109296 0.93005525468878 0.58863645113801 6.941 > 17 24 Li 0.58034424109296 0.93005525468878 0.58863645113801 6.941 > 17 25 Li 0.41965575890704 0.06994474531122 0.41136354886199 6.941 > 25 26 Li 0.91965575890704 0.06994474531122 0.41136354886199 6.941 > 25 27 Li 0.41965575890704 0.56994474531121 0.41136354886199 6.941 > 25 28 Li 0.91965575890704 0.56994474531121 0.41136354886199 6.941 > 25 29 Li 0.41965575890704 0.06994474531122 0.91136354886199 6.941 > 25 30 Li 0.91965575890704 0.06994474531122 0.91136354886199 6.941 > 25 31 Li 0.41965575890704 0.56994474531121 0.91136354886199 6.941 > 25 32 Li 0.91965575890704 0.56994474531121 0.91136354886199 6.941 > 25 33 O 0.29451379628243 0.13052590078091 0.25853762004502 15.999 > 33 34 O 0.79451379628243 0.13052590078091 0.25853762004502 15.999 > 33 35 O 0.29451379628243 0.63052590078091 0.25853762004502 15.999 > 33 36 O 0.79451379628243 0.63052590078091 0.25853762004502 15.999 > 33 37 O 0.29451379628243 0.13052590078091 0.75853762004502 15.999 > 33 38 O 0.79451379628243 0.13052590078091 0.75853762004502 15.999 > 33 39 O 0.29451379628243 0.63052590078091 0.75853762004502 15.999 > 33 40 O 0.79451379628243 0.63052590078091 0.75853762004502 15.999 > 33 41 O 0.29451379628243 0.11947409921909 0.00853762004502 15.999 > 41 42 O 0.79451379628243 0.11947409921909 0.00853762004502 15.999 > 41 43 O 0.29451379628243 0.61947409921909 0.00853762004502 15.999 > 41 44 O 0.79451379628243 0.61947409921909 0.00853762004502 15.999 > 41 45 O 0.29451379628243 0.11947409921909 0.50853762004502 15.999 > 41 46 O 0.79451379628243 0.11947409921909 0.50853762004502 15.999 > 41 47 O 0.29451379628243 0.61947409921909 0.50853762004502 15.999 > 41 48 O 0.79451379628243 0.61947409921909 0.50853762004502 15.999 > 41 49 O 0.20548620371757 0.38052590078091 0.49146237995498 15.999 > 49 50 O 0.70548620371757 0.38052590078091 0.49146237995498 15.999 > 49 51 O 0.20548620371757 0.88052590078091 0.49146237995498 15.999 > 49 52 O 0.70548620371757 0.88052590078091 0.49146237995498 15.999 > 49 53 O 0.20548620371757 0.38052590078091 0.99146237995498 15.999 > 49 54 O 0.70548620371757 0.38052590078091 0.99146237995498 15.999 > 49 55 O 0.20548620371757 0.88052590078091 0.99146237995498 15.999 > 49 56 O 0.70548620371757 0.88052590078091 0.99146237995498 15.999 > 49 57 O 0.20548620371757 0.36947409921909 0.24146237995498 15.999 > 57 58 O 0.70548620371757 0.36947409921909 0.24146237995498 15.999 > 57 59 O 0.20548620371757 0.86947409921909 0.24146237995498 15.999 > 57 60 O 0.70548620371757 0.86947409921909 0.24146237995498 15.999 > 57 61 O 0.20548620371757 0.36947409921909 0.74146237995498 15.999 > 57 62 O 0.70548620371757 0.36947409921909 0.74146237995498 15.999 > 57 63 O 0.20548620371757 0.86947409921909 0.74146237995498 15.999 > 57 64 O 0.70548620371757 0.86947409921909 0.74146237995498 15.999 > 57 65 O 0.03573169543570 0.06573462344814 0.14648176511920 15.999 > 65 66 O 0.53573169543570 0.06573462344814 0.14648176511920 15.999 > 65 67 O 0.03573169543570 0.56573462344814 0.14648176511920 15.999 > 65 68 O 0.53573169543570 0.56573462344814 0.14648176511920 15.999 > 65 69 O 0.03573169543570 0.06573462344814 0.64648176511920 15.999 > 65 70 O 0.53573169543570 0.06573462344814 0.64648176511920 15.999 > 65 71 O 0.03573169543570 0.56573462344814 0.64648176511920 15.999 > 65 72 O 0.53573169543570 0.56573462344814 0.64648176511920 15.999 > 65 73 O 0.46426830456430 0.31573462344814 0.10351823488080 15.999 > 73 74 O 0.96426830456430 0.31573462344814 0.10351823488080 15.999 > 73 75 O 0.46426830456430 0.81573462344814 0.10351823488080 15.999 > 73 76 O 0.96426830456430 0.81573462344814 0.10351823488080 15.999 > 73 77 O 0.46426830456430 0.31573462344814 0.60351823488080 15.999 > 73 78 O 0.96426830456430 0.31573462344814 0.60351823488080 15.999 > 73 79 O 0.46426830456430 0.81573462344814 0.60351823488080 15.999 > 73 80 O 0.96426830456430 0.81573462344814 0.60351823488080 15.999 > 73 81 O 0.46426830456430 0.43426537655186 0.35351823488080 15.999 > 81 82 O 0.96426830456430 0.43426537655186 0.35351823488080 15.999 > 81 83 O 0.46426830456430 0.93426537655186 0.35351823488080 15.999 > 81 84 O 0.96426830456430 0.93426537655186 0.35351823488080 15.999 > 81 85 O 0.46426830456430 0.43426537655186 0.85351823488080 15.999 > 81 86 O 0.96426830456430 0.43426537655186 0.85351823488080 15.999 > 81 87 O 0.46426830456430 0.93426537655186 0.85351823488080 15.999 > 81 88 O 0.96426830456430 0.93426537655186 0.85351823488080 15.999 > 81 89 O 0.03573169543570 0.18426537655186 0.39648176511920 15.999 > 89 90 O 0.53573169543570 0.18426537655186 0.39648176511920 15.999 > 89 91 O 0.03573169543570 0.68426537655186 0.39648176511920 15.999 > 89 92 O 0.53573169543570 0.68426537655186 0.39648176511920 15.999 > 89 93 O 0.03573169543570 0.18426537655186 0.89648176511920 15.999 > 89 94 O 0.53573169543570 0.18426537655186 0.89648176511920 15.999 > 89 95 O 0.03573169543570 0.68426537655186 0.89648176511920 15.999 > 89 96 O 0.53573169543570 0.68426537655186 0.89648176511920 15.999 > 89 97 Pr 0.14968564409661 0.21532968558246 0.09837582230073 140.908 > 97 98 Pr 0.64968564409661 0.21532968558246 0.09837582230073 140.908 > 97 99 Pr 0.14968564409661 0.71532968558246 0.09837582230073 140.908 > 97 100 Pr 0.64968564409661 0.71532968558246 0.09837582230073 140.908 > 97 101 Pr 0.14968564409661 0.21532968558246 0.59837582230073 140.908 > 97 102 Pr 0.64968564409661 0.21532968558246 0.59837582230073 140.908 > 97 103 Pr 0.14968564409661 0.71532968558246 0.59837582230073 140.908 > 97 104 Pr 0.64968564409661 0.71532968558246 0.59837582230073 140.908 > 97 105 Pr 0.35031435590338 0.46532968558246 0.15162417769927 140.908 > 105 106 Pr 0.85031435590338 0.46532968558246 0.15162417769927 140.908 > 105 107 Pr 0.35031435590338 0.96532968558246 0.15162417769927 140.908 > 105 108 Pr 0.85031435590338 0.96532968558246 0.15162417769927 140.908 > 105 109 Pr 0.35031435590338 0.46532968558246 0.65162417769927 140.908 > 105 110 Pr 0.85031435590338 0.46532968558246 0.65162417769927 140.908 > 105 111 Pr 0.35031435590338 0.96532968558246 0.65162417769927 140.908 > 105 112 Pr 0.85031435590338 0.96532968558246 0.65162417769927 140.908 > 105 113 Pr 0.35031435590338 0.28467031441754 0.40162417769927 140.908 > 113 114 Pr 0.85031435590338 0.28467031441754 0.40162417769927 140.908 > 113 115 Pr 0.35031435590338 0.78467031441754 0.40162417769927 140.908 > 113 116 Pr 0.85031435590338 0.78467031441754 0.40162417769927 140.908 > 113 117 Pr 0.35031435590338 0.28467031441754 0.90162417769927 140.908 > 113 118 Pr 0.85031435590338 0.28467031441754 0.90162417769927 140.908 > 113 119 Pr 0.35031435590338 0.78467031441754 0.90162417769927 140.908 > 113 120 Pr 0.85031435590338 0.78467031441754 0.90162417769927 140.908 > 113 121 Pr 0.14968564409661 0.03467031441754 0.34837582230073 140.908 > 121 122 Pr 0.64968564409661 0.03467031441754 0.34837582230073 140.908 > 121 123 Pr 0.14968564409661 0.53467031441754 0.34837582230073 140.908 > 121 124 Pr 0.64968564409661 0.53467031441754 0.34837582230073 140.908 > 121 125 Pr 0.14968564409661 0.03467031441754 0.84837582230073 140.908 > 121 126 Pr 0.64968564409661 0.03467031441754 0.84837582230073 140.908 > 121 127 Pr 0.14968564409661 0.53467031441754 0.84837582230073 140.908 > 121 128 Pr 0.64968564409661 0.53467031441754 0.84837582230073 140.908 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4796053 0.0000000 0.0249864 0.0000000 4.5830676 0.0000000 0.0249878 0.0000000 4.4752751 -------------------------- Born effective charges -------------------------- 1 Li 1.0267057 0.0271778 0.0498872 0.0672308 0.9359448 -0.0229672 0.0423857 -0.0365581 1.0457411 2 Li 1.0267057 0.0271778 0.0498872 0.0672308 0.9359448 -0.0229672 0.0423857 -0.0365581 1.0457411 3 Li 1.0267057 -0.0271778 0.0498872 -0.0672308 0.9359448 0.0229672 0.0423857 0.0365581 1.0457411 4 Li 1.0267057 -0.0271778 0.0498872 -0.0672308 0.9359448 0.0229672 0.0423857 0.0365581 1.0457411 5 O -2.2522212 -0.0161163 0.0151499 0.0091244 -2.6425242 -0.1552553 -0.0058544 -0.2079938 -2.5744357 6 O -2.2522212 0.0161163 0.0151499 -0.0091244 -2.6425242 0.1552553 -0.0058544 0.2079938 -2.5744357 7 O -2.2522212 0.0161163 0.0151499 -0.0091244 -2.6425242 0.1552553 -0.0058544 0.2079938 -2.5744357 8 O -2.2522212 -0.0161163 0.0151499 0.0091244 -2.6425242 -0.1552553 -0.0058544 -0.2079938 -2.5744357 9 O -2.6517313 -0.5772411 -0.1016355 -0.7004381 -2.3580744 0.3350725 -0.1117265 0.2705413 -2.3013070 10 O -2.6517313 0.5772411 -0.1016355 0.7004381 -2.3580744 -0.3350725 -0.1117265 -0.2705413 -2.3013070 11 O -2.6517313 -0.5772411 -0.1016355 -0.7004381 -2.3580744 0.3350725 -0.1117265 0.2705413 -2.3013070 12 O -2.6517313 0.5772411 -0.1016355 0.7004381 -2.3580744 -0.3350725 -0.1117265 -0.2705413 -2.3013070 13 Pr 3.8772468 0.2202373 0.0365984 -0.0574842 4.0646538 -0.0688532 0.0751952 -0.1909084 3.8300016 14 Pr 3.8772468 -0.2202373 0.0365984 0.0574842 4.0646538 0.0688532 0.0751952 0.1909084 3.8300016 15 Pr 3.8772468 0.2202373 0.0365984 -0.0574842 4.0646538 -0.0688532 0.0751952 -0.1909084 3.8300016 16 Pr 3.8772468 -0.2202373 0.0365984 0.0574842 4.0646538 0.0688532 0.0751952 0.1909084 3.8300016 ---------------------------------------------------------------------------- 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.779649964982587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.102388300000000 0.000000000000000 c -1.273951526614841 0.000000000000000 5.614549393480955 Atomic positions (fractional): 1 Li 0.16068848218592 0.63988949062243 0.67727290227601 6.941 2 Li 0.83931151781408 0.36011050937757 0.32272709772399 6.941 3 Li 0.16068848218592 0.86011050937757 0.17727290227601 6.941 4 Li 0.83931151781408 0.13988949062243 0.82272709772399 6.941 5 O 0.58902759256487 0.26105180156182 0.51707524009004 15.999 6 O 0.58902759256487 0.23894819843818 0.01707524009004 15.999 7 O 0.41097240743513 0.76105180156182 0.98292475990996 15.999 8 O 0.41097240743513 0.73894819843818 0.48292475990996 15.999 9 O 0.07146339087140 0.13146924689628 0.29296353023840 15.999 10 O 0.92853660912860 0.63146924689628 0.20703646976160 15.999 11 O 0.92853660912860 0.86853075310372 0.70703646976160 15.999 12 O 0.07146339087140 0.36853075310372 0.79296353023840 15.999 13 Pr 0.29937128819323 0.43065937116492 0.19675164460147 140.908 14 Pr 0.70062871180677 0.93065937116492 0.30324835539853 140.908 15 Pr 0.70062871180677 0.56934062883508 0.80324835539853 140.908 16 Pr 0.29937128819323 0.06934062883508 0.69675164460147 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.559299929965174 0.000000000000000 0.000000000000000 b 0.000000000000000 12.204776600000001 0.000000000000000 c -2.547903053229682 0.000000000000000 11.229098786961909 Atomic positions (fractional): 1 Li 0.08034424109296 0.31994474531122 0.33863645113801 6.941 > 1 2 Li 0.58034424109296 0.31994474531122 0.33863645113801 6.941 > 1 3 Li 0.08034424109296 0.81994474531122 0.33863645113801 6.941 > 1 4 Li 0.58034424109296 0.81994474531122 0.33863645113801 6.941 > 1 5 Li 0.08034424109296 0.31994474531122 0.83863645113801 6.941 > 1 6 Li 0.58034424109296 0.31994474531122 0.83863645113801 6.941 > 1 7 Li 0.08034424109296 0.81994474531122 0.83863645113801 6.941 > 1 8 Li 0.58034424109296 0.81994474531122 0.83863645113801 6.941 > 1 9 Li 0.41965575890704 0.18005525468878 0.16136354886199 6.941 > 9 10 Li 0.91965575890704 0.18005525468878 0.16136354886199 6.941 > 9 11 Li 0.41965575890704 0.68005525468878 0.16136354886199 6.941 > 9 12 Li 0.91965575890704 0.68005525468878 0.16136354886199 6.941 > 9 13 Li 0.41965575890704 0.18005525468878 0.66136354886199 6.941 > 9 14 Li 0.91965575890704 0.18005525468878 0.66136354886199 6.941 > 9 15 Li 0.41965575890704 0.68005525468878 0.66136354886199 6.941 > 9 16 Li 0.91965575890704 0.68005525468878 0.66136354886199 6.941 > 9 17 Li 0.08034424109296 0.43005525468878 0.08863645113801 6.941 > 17 18 Li 0.58034424109296 0.43005525468878 0.08863645113801 6.941 > 17 19 Li 0.08034424109296 0.93005525468878 0.08863645113801 6.941 > 17 20 Li 0.58034424109296 0.93005525468878 0.08863645113801 6.941 > 17 21 Li 0.08034424109296 0.43005525468878 0.58863645113801 6.941 > 17 22 Li 0.58034424109296 0.43005525468878 0.58863645113801 6.941 > 17 23 Li 0.08034424109296 0.93005525468878 0.58863645113801 6.941 > 17 24 Li 0.58034424109296 0.93005525468878 0.58863645113801 6.941 > 17 25 Li 0.41965575890704 0.06994474531122 0.41136354886199 6.941 > 25 26 Li 0.91965575890704 0.06994474531122 0.41136354886199 6.941 > 25 27 Li 0.41965575890704 0.56994474531121 0.41136354886199 6.941 > 25 28 Li 0.91965575890704 0.56994474531121 0.41136354886199 6.941 > 25 29 Li 0.41965575890704 0.06994474531122 0.91136354886199 6.941 > 25 30 Li 0.91965575890704 0.06994474531122 0.91136354886199 6.941 > 25 31 Li 0.41965575890704 0.56994474531121 0.91136354886199 6.941 > 25 32 Li 0.91965575890704 0.56994474531121 0.91136354886199 6.941 > 25 33 O 0.29451379628243 0.13052590078091 0.25853762004502 15.999 > 33 34 O 0.79451379628243 0.13052590078091 0.25853762004502 15.999 > 33 35 O 0.29451379628243 0.63052590078091 0.25853762004502 15.999 > 33 36 O 0.79451379628243 0.63052590078091 0.25853762004502 15.999 > 33 37 O 0.29451379628243 0.13052590078091 0.75853762004502 15.999 > 33 38 O 0.79451379628243 0.13052590078091 0.75853762004502 15.999 > 33 39 O 0.29451379628243 0.63052590078091 0.75853762004502 15.999 > 33 40 O 0.79451379628243 0.63052590078091 0.75853762004502 15.999 > 33 41 O 0.29451379628243 0.11947409921909 0.00853762004502 15.999 > 41 42 O 0.79451379628243 0.11947409921909 0.00853762004502 15.999 > 41 43 O 0.29451379628243 0.61947409921909 0.00853762004502 15.999 > 41 44 O 0.79451379628243 0.61947409921909 0.00853762004502 15.999 > 41 45 O 0.29451379628243 0.11947409921909 0.50853762004502 15.999 > 41 46 O 0.79451379628243 0.11947409921909 0.50853762004502 15.999 > 41 47 O 0.29451379628243 0.61947409921909 0.50853762004502 15.999 > 41 48 O 0.79451379628243 0.61947409921909 0.50853762004502 15.999 > 41 49 O 0.20548620371757 0.38052590078091 0.49146237995498 15.999 > 49 50 O 0.70548620371757 0.38052590078091 0.49146237995498 15.999 > 49 51 O 0.20548620371757 0.88052590078091 0.49146237995498 15.999 > 49 52 O 0.70548620371757 0.88052590078091 0.49146237995498 15.999 > 49 53 O 0.20548620371757 0.38052590078091 0.99146237995498 15.999 > 49 54 O 0.70548620371757 0.38052590078091 0.99146237995498 15.999 > 49 55 O 0.20548620371757 0.88052590078091 0.99146237995498 15.999 > 49 56 O 0.70548620371757 0.88052590078091 0.99146237995498 15.999 > 49 57 O 0.20548620371757 0.36947409921909 0.24146237995498 15.999 > 57 58 O 0.70548620371757 0.36947409921909 0.24146237995498 15.999 > 57 59 O 0.20548620371757 0.86947409921909 0.24146237995498 15.999 > 57 60 O 0.70548620371757 0.86947409921909 0.24146237995498 15.999 > 57 61 O 0.20548620371757 0.36947409921909 0.74146237995498 15.999 > 57 62 O 0.70548620371757 0.36947409921909 0.74146237995498 15.999 > 57 63 O 0.20548620371757 0.86947409921909 0.74146237995498 15.999 > 57 64 O 0.70548620371757 0.86947409921909 0.74146237995498 15.999 > 57 65 O 0.03573169543570 0.06573462344814 0.14648176511920 15.999 > 65 66 O 0.53573169543570 0.06573462344814 0.14648176511920 15.999 > 65 67 O 0.03573169543570 0.56573462344814 0.14648176511920 15.999 > 65 68 O 0.53573169543570 0.56573462344814 0.14648176511920 15.999 > 65 69 O 0.03573169543570 0.06573462344814 0.64648176511920 15.999 > 65 70 O 0.53573169543570 0.06573462344814 0.64648176511920 15.999 > 65 71 O 0.03573169543570 0.56573462344814 0.64648176511920 15.999 > 65 72 O 0.53573169543570 0.56573462344814 0.64648176511920 15.999 > 65 73 O 0.46426830456430 0.31573462344814 0.10351823488080 15.999 > 73 74 O 0.96426830456430 0.31573462344814 0.10351823488080 15.999 > 73 75 O 0.46426830456430 0.81573462344814 0.10351823488080 15.999 > 73 76 O 0.96426830456430 0.81573462344814 0.10351823488080 15.999 > 73 77 O 0.46426830456430 0.31573462344814 0.60351823488080 15.999 > 73 78 O 0.96426830456430 0.31573462344814 0.60351823488080 15.999 > 73 79 O 0.46426830456430 0.81573462344814 0.60351823488080 15.999 > 73 80 O 0.96426830456430 0.81573462344814 0.60351823488080 15.999 > 73 81 O 0.46426830456430 0.43426537655186 0.35351823488080 15.999 > 81 82 O 0.96426830456430 0.43426537655186 0.35351823488080 15.999 > 81 83 O 0.46426830456430 0.93426537655186 0.35351823488080 15.999 > 81 84 O 0.96426830456430 0.93426537655186 0.35351823488080 15.999 > 81 85 O 0.46426830456430 0.43426537655186 0.85351823488080 15.999 > 81 86 O 0.96426830456430 0.43426537655186 0.85351823488080 15.999 > 81 87 O 0.46426830456430 0.93426537655186 0.85351823488080 15.999 > 81 88 O 0.96426830456430 0.93426537655186 0.85351823488080 15.999 > 81 89 O 0.03573169543570 0.18426537655186 0.39648176511920 15.999 > 89 90 O 0.53573169543570 0.18426537655186 0.39648176511920 15.999 > 89 91 O 0.03573169543570 0.68426537655186 0.39648176511920 15.999 > 89 92 O 0.53573169543570 0.68426537655186 0.39648176511920 15.999 > 89 93 O 0.03573169543570 0.18426537655186 0.89648176511920 15.999 > 89 94 O 0.53573169543570 0.18426537655186 0.89648176511920 15.999 > 89 95 O 0.03573169543570 0.68426537655186 0.89648176511920 15.999 > 89 96 O 0.53573169543570 0.68426537655186 0.89648176511920 15.999 > 89 97 Pr 0.14968564409661 0.21532968558246 0.09837582230073 140.908 > 97 98 Pr 0.64968564409661 0.21532968558246 0.09837582230073 140.908 > 97 99 Pr 0.14968564409661 0.71532968558246 0.09837582230073 140.908 > 97 100 Pr 0.64968564409661 0.71532968558246 0.09837582230073 140.908 > 97 101 Pr 0.14968564409661 0.21532968558246 0.59837582230073 140.908 > 97 102 Pr 0.64968564409661 0.21532968558246 0.59837582230073 140.908 > 97 103 Pr 0.14968564409661 0.71532968558246 0.59837582230073 140.908 > 97 104 Pr 0.64968564409661 0.71532968558246 0.59837582230073 140.908 > 97 105 Pr 0.35031435590338 0.46532968558246 0.15162417769927 140.908 > 105 106 Pr 0.85031435590338 0.46532968558246 0.15162417769927 140.908 > 105 107 Pr 0.35031435590338 0.96532968558246 0.15162417769927 140.908 > 105 108 Pr 0.85031435590338 0.96532968558246 0.15162417769927 140.908 > 105 109 Pr 0.35031435590338 0.46532968558246 0.65162417769927 140.908 > 105 110 Pr 0.85031435590338 0.46532968558246 0.65162417769927 140.908 > 105 111 Pr 0.35031435590338 0.96532968558246 0.65162417769927 140.908 > 105 112 Pr 0.85031435590338 0.96532968558246 0.65162417769927 140.908 > 105 113 Pr 0.35031435590338 0.28467031441754 0.40162417769927 140.908 > 113 114 Pr 0.85031435590338 0.28467031441754 0.40162417769927 140.908 > 113 115 Pr 0.35031435590338 0.78467031441754 0.40162417769927 140.908 > 113 116 Pr 0.85031435590338 0.78467031441754 0.40162417769927 140.908 > 113 117 Pr 0.35031435590338 0.28467031441754 0.90162417769927 140.908 > 113 118 Pr 0.85031435590338 0.28467031441754 0.90162417769927 140.908 > 113 119 Pr 0.35031435590338 0.78467031441754 0.90162417769927 140.908 > 113 120 Pr 0.85031435590338 0.78467031441754 0.90162417769927 140.908 > 113 121 Pr 0.14968564409661 0.03467031441754 0.34837582230073 140.908 > 121 122 Pr 0.64968564409661 0.03467031441754 0.34837582230073 140.908 > 121 123 Pr 0.14968564409661 0.53467031441754 0.34837582230073 140.908 > 121 124 Pr 0.64968564409661 0.53467031441754 0.34837582230073 140.908 > 121 125 Pr 0.14968564409661 0.03467031441754 0.84837582230073 140.908 > 121 126 Pr 0.64968564409661 0.03467031441754 0.84837582230073 140.908 > 121 127 Pr 0.14968564409661 0.53467031441754 0.84837582230073 140.908 > 121 128 Pr 0.64968564409661 0.53467031441754 0.84837582230073 140.908 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4796053 0.0000000 0.0249864 0.0000000 4.5830676 0.0000000 0.0249878 0.0000000 4.4752751 -------------------------- Born effective charges -------------------------- 1 Li 1.0267057 0.0271778 0.0498872 0.0672308 0.9359448 -0.0229672 0.0423857 -0.0365581 1.0457411 2 Li 1.0267057 0.0271778 0.0498872 0.0672308 0.9359448 -0.0229672 0.0423857 -0.0365581 1.0457411 3 Li 1.0267057 -0.0271778 0.0498872 -0.0672308 0.9359448 0.0229672 0.0423857 0.0365581 1.0457411 4 Li 1.0267057 -0.0271778 0.0498872 -0.0672308 0.9359448 0.0229672 0.0423857 0.0365581 1.0457411 5 O -2.2522212 -0.0161163 0.0151499 0.0091244 -2.6425242 -0.1552553 -0.0058544 -0.2079938 -2.5744357 6 O -2.2522212 0.0161163 0.0151499 -0.0091244 -2.6425242 0.1552553 -0.0058544 0.2079938 -2.5744357 7 O -2.2522212 0.0161163 0.0151499 -0.0091244 -2.6425242 0.1552553 -0.0058544 0.2079938 -2.5744357 8 O -2.2522212 -0.0161163 0.0151499 0.0091244 -2.6425242 -0.1552553 -0.0058544 -0.2079938 -2.5744357 9 O -2.6517313 -0.5772411 -0.1016355 -0.7004381 -2.3580744 0.3350725 -0.1117265 0.2705413 -2.3013070 10 O -2.6517313 0.5772411 -0.1016355 0.7004381 -2.3580744 -0.3350725 -0.1117265 -0.2705413 -2.3013070 11 O -2.6517313 -0.5772411 -0.1016355 -0.7004381 -2.3580744 0.3350725 -0.1117265 0.2705413 -2.3013070 12 O -2.6517313 0.5772411 -0.1016355 0.7004381 -2.3580744 -0.3350725 -0.1117265 -0.2705413 -2.3013070 13 Pr 3.8772468 0.2202373 0.0365984 -0.0574842 4.0646538 -0.0688532 0.0751952 -0.1909084 3.8300016 14 Pr 3.8772468 -0.2202373 0.0365984 0.0574842 4.0646538 0.0688532 0.0751952 0.1909084 3.8300016 15 Pr 3.8772468 0.2202373 0.0365984 -0.0574842 4.0646538 -0.0688532 0.0751952 -0.1909084 3.8300016 16 Pr 3.8772468 -0.2202373 0.0365984 0.0574842 4.0646538 0.0688532 0.0751952 0.1909084 3.8300016 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 291, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/205) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 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 3.283 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.410 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 10.746 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.692 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 13.542 ( 0.000 0.000 0.000) 0.000 14.052 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 15.252 ( 0.000 0.000 0.000) 0.000 15.525 ( 0.000 0.000 0.000) 0.000 15.668 ( 0.000 0.000 0.000) 0.000 17.024 ( 0.000 0.000 0.000) 0.000 17.218 ( 0.000 0.000 0.000) 0.000 17.231 ( 0.000 0.000 0.000) 0.000 17.270 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/205) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 29.347 0.000 -5.807) 29.916 0.720 ( 35.261 0.000 6.863) 35.923 1.219 ( 57.996 0.000 17.037) 60.447 3.276 ( -2.211 0.000 5.822) 6.228 3.324 ( 0.536 0.000 -8.068) 8.086 3.602 ( 0.946 0.000 3.651) 3.771 3.922 ( -3.744 0.000 0.430) 3.769 3.971 ( 2.997 0.000 -0.429) 3.028 4.229 ( 0.389 0.000 1.151) 1.215 4.751 ( -0.494 0.000 -1.158) 1.259 4.758 ( -1.245 0.000 0.038) 1.246 5.277 ( -5.759 0.000 9.908) 11.461 6.017 ( 0.497 0.000 10.486) 10.497 6.120 ( -0.634 0.000 4.477) 4.522 6.356 ( 4.157 0.000 1.801) 4.531 7.363 ( -5.929 0.000 9.962) 11.593 7.576 ( -0.787 0.000 -2.837) 2.944 7.908 ( 4.207 0.000 0.482) 4.235 8.009 ( 0.209 0.000 -2.927) 2.934 8.382 ( -1.352 0.000 -2.261) 2.634 8.436 ( -3.741 0.000 -7.858) 8.703 8.532 ( 7.748 0.000 1.196) 7.839 8.939 ( -12.002 0.000 -14.002) 18.442 9.189 ( -7.215 0.000 4.434) 8.469 9.234 ( 8.413 0.000 -0.611) 8.435 9.652 ( -28.937 0.000 -6.163) 29.586 10.339 ( -3.528 0.000 -3.320) 4.844 10.581 ( -6.050 0.000 6.208) 8.668 10.607 ( -0.648 0.000 3.695) 3.751 10.848 ( -9.532 0.000 8.618) 12.851 10.930 ( 20.036 0.000 2.398) 20.179 11.390 ( -8.973 0.000 55.657) 56.376 11.575 ( 25.512 0.000 7.549) 26.605 12.314 ( -5.246 0.000 3.746) 6.446 13.041 ( -2.084 0.000 3.443) 4.024 13.291 ( 1.116 0.000 3.378) 3.557 13.299 ( -2.567 0.000 -3.082) 4.011 13.953 ( -11.035 0.000 -6.280) 12.697 14.050 ( -22.889 0.000 -3.867) 23.213 14.061 ( 1.258 0.000 -1.599) 2.035 15.006 ( 19.259 0.000 6.716) 20.397 15.337 ( 5.526 0.000 1.802) 5.813 15.633 ( -2.436 0.000 -0.951) 2.615 17.025 ( -0.002 0.000 0.183) 0.183 17.110 ( -4.347 0.000 9.402) 10.358 17.247 ( 2.142 0.000 0.984) 2.357 17.259 ( -1.273 0.000 0.823) 1.516 18.251 ( 10.036 0.000 -48.839) 49.860 ======================= Grid point 2 (3/205) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 26.980 0.000 -5.261) 27.488 1.403 ( 32.332 0.000 7.068) 33.095 2.342 ( 50.496 0.000 13.118) 52.172 3.243 ( -4.493 0.000 10.349) 11.282 3.303 ( 1.410 0.000 -9.566) 9.669 3.643 ( 1.730 0.000 2.993) 3.457 3.829 ( -5.605 0.000 -1.146) 5.721 4.059 ( 6.378 0.000 -0.672) 6.413 4.195 ( -4.893 0.000 1.353) 5.077 4.722 ( -1.920 0.000 -2.978) 3.544 4.754 ( 0.879 0.000 1.320) 1.586 5.183 ( -6.398 0.000 1.911) 6.677 6.086 ( 0.718 0.000 13.940) 13.958 6.147 ( 2.527 0.000 0.275) 2.542 6.480 ( 7.086 0.000 4.388) 8.335 7.279 ( -4.429 0.000 -1.504) 4.678 7.544 ( -0.836 0.000 -4.295) 4.375 7.980 ( -1.670 0.000 -6.380) 6.595 8.002 ( 4.325 0.000 1.981) 4.757 8.269 ( -6.309 0.000 -6.309) 8.922 8.379 ( -0.548 0.000 -3.119) 3.166 8.621 ( -14.247 0.000 -13.320) 19.504 8.737 ( 10.211 0.000 7.001) 12.381 8.876 ( -26.167 0.000 -8.844) 27.622 9.163 ( -14.347 0.000 -0.765) 14.368 9.422 ( 10.604 0.000 -0.232) 10.607 10.252 ( -4.463 0.000 3.474) 5.655 10.488 ( -5.838 0.000 3.391) 6.752 10.608 ( -1.993 0.000 6.797) 7.083 10.686 ( -9.061 0.000 4.869) 10.287 11.379 ( 21.425 0.000 7.691) 22.764 11.452 ( -2.165 0.000 19.116) 19.239 12.107 ( 25.906 0.000 3.447) 26.135 12.187 ( -10.032 0.000 5.921) 11.649 13.000 ( -4.349 0.000 7.719) 8.860 13.214 ( -4.336 0.000 -4.111) 5.975 13.340 ( 1.757 0.000 5.602) 5.871 13.631 ( -17.914 0.000 -4.751) 18.533 13.705 ( -8.960 0.000 -11.309) 14.428 14.087 ( 2.288 0.000 -1.923) 2.989 15.317 ( -9.682 0.000 1.226) 9.760 15.362 ( 14.841 0.000 4.315) 15.456 15.661 ( 6.185 0.000 -1.230) 6.306 17.027 ( 0.190 0.000 0.181) 0.262 17.065 ( -3.189 0.000 4.003) 5.118 17.231 ( -2.009 0.000 1.431) 2.467 17.296 ( 2.586 0.000 0.266) 2.600 18.224 ( 3.258 0.000 -21.856) 22.097 ======================= Grid point 3 (4/205) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 21.714 0.000 -4.273) 22.131 2.013 ( 27.421 0.000 7.129) 28.333 3.007 ( 2.547 0.000 3.266) 4.142 3.271 ( -1.815 0.000 -9.758) 9.926 3.427 ( 29.331 0.000 16.419) 33.614 3.687 ( 0.269 0.000 3.357) 3.368 3.724 ( -2.439 0.000 -1.503) 2.865 4.067 ( -7.950 0.000 -0.316) 7.956 4.205 ( 8.801 0.000 -0.627) 8.823 4.634 ( -5.679 0.000 -5.802) 8.119 4.792 ( 1.762 0.000 1.847) 2.553 5.065 ( -6.479 0.000 2.736) 7.033 6.150 ( 0.872 0.000 7.292) 7.344 6.212 ( 2.964 0.000 2.870) 4.126 6.658 ( 8.425 0.000 7.994) 11.614 7.193 ( -2.728 0.000 -4.722) 5.454 7.502 ( -1.854 0.000 -6.874) 7.119 7.859 ( -8.019 0.000 -8.691) 11.825 8.045 ( -3.332 0.000 5.360) 6.312 8.166 ( 1.198 0.000 -10.140) 10.211 8.270 ( -14.798 0.000 -12.039) 19.077 8.359 ( -0.693 0.000 -0.365) 0.783 8.398 ( -15.630 0.000 -5.917) 16.713 8.942 ( 7.292 0.000 6.283) 9.625 8.984 ( -6.233 0.000 1.739) 6.471 9.616 ( 8.247 0.000 2.716) 8.683 10.187 ( -4.601 0.000 4.889) 6.714 10.408 ( -3.046 0.000 1.186) 3.269 10.544 ( -3.598 0.000 0.390) 3.619 10.622 ( -1.849 0.000 5.562) 5.861 11.457 ( -3.572 0.000 7.257) 8.088 11.755 ( 13.792 0.000 5.815) 14.968 12.003 ( -10.507 0.000 4.997) 11.635 12.514 ( 11.967 0.000 -0.898) 12.000 13.019 ( 5.164 0.000 13.836) 14.768 13.120 ( -3.154 0.000 -2.654) 4.122 13.336 ( -10.782 0.000 -4.270) 11.597 13.396 ( 0.982 0.000 5.813) 5.895 13.541 ( -2.309 0.000 -13.671) 13.864 14.139 ( 4.486 0.000 -2.868) 5.325 15.046 ( -17.529 0.000 0.635) 17.540 15.607 ( 9.009 0.000 2.663) 9.394 15.776 ( 5.220 0.000 -1.036) 5.322 17.026 ( -2.155 0.000 2.008) 2.945 17.035 ( 0.579 0.000 -0.026) 0.580 17.198 ( -2.020 0.000 1.514) 2.524 17.344 ( 2.182 0.000 -0.022) 2.182 18.191 ( 0.883 0.000 -11.042) 11.077 ======================= Grid point 4 (5/205) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 9.648 0.000 -1.981) 9.850 2.485 ( 16.486 0.000 5.371) 17.339 2.937 ( -4.533 0.000 2.308) 5.087 3.118 ( -8.219 0.000 -6.789) 10.660 3.695 ( 1.539 0.000 2.647) 3.062 3.740 ( 1.171 0.000 -0.786) 1.411 3.922 ( -5.503 0.000 -1.026) 5.598 4.044 ( 23.242 0.000 10.187) 25.376 4.355 ( 3.849 0.000 -0.236) 3.856 4.446 ( -9.447 0.000 -7.903) 12.317 4.823 ( 0.728 0.000 0.744) 1.041 4.971 ( -3.908 0.000 2.254) 4.512 6.178 ( 0.049 0.000 1.975) 1.976 6.265 ( 1.208 0.000 1.428) 1.871 6.856 ( 6.961 0.000 8.591) 11.057 7.144 ( -0.731 0.000 -2.238) 2.354 7.350 ( -7.895 0.000 -11.521) 13.967 7.707 ( -2.789 0.000 -0.138) 2.792 7.977 ( -2.796 0.000 0.753) 2.895 8.064 ( -3.285 0.000 -6.965) 7.701 8.182 ( 1.574 0.000 -2.771) 3.187 8.185 ( -5.636 0.000 0.238) 5.641 8.350 ( -0.255 0.000 0.134) 0.288 8.918 ( -1.612 0.000 0.775) 1.789 9.056 ( 2.487 0.000 2.190) 3.314 9.731 ( 2.220 0.000 2.545) 3.377 10.129 ( -2.362 0.000 1.942) 3.058 10.381 ( -0.537 0.000 0.376) 0.655 10.542 ( 3.766 0.000 -5.096) 6.336 10.601 ( -3.247 0.000 6.184) 6.984 11.393 ( -3.603 0.000 1.700) 3.984 11.873 ( -3.851 0.000 1.823) 4.260 11.949 ( 4.665 0.000 1.835) 5.013 12.576 ( -0.566 0.000 -0.469) 0.735 13.091 ( 0.804 0.000 0.691) 1.060 13.166 ( -5.374 0.000 -3.145) 6.227 13.270 ( 8.773 0.000 13.244) 15.886 13.400 ( -1.742 0.000 -2.787) 3.286 13.497 ( 1.700 0.000 -6.993) 7.196 14.250 ( 7.849 0.000 -2.782) 8.327 14.708 ( -15.125 0.000 1.043) 15.160 15.730 ( 2.992 0.000 0.918) 3.130 15.840 ( 1.734 0.000 -0.455) 1.792 17.003 ( -0.781 0.000 0.629) 1.003 17.046 ( 0.463 0.000 -0.120) 0.479 17.172 ( -0.987 0.000 0.724) 1.224 17.374 ( 0.880 0.000 -0.025) 0.880 18.167 ( 0.108 0.000 -3.483) 3.484 ======================= Grid point 9 (6/205) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.000 27.299 0.000) 27.299 0.733 ( 0.000 35.058 0.000) 35.058 1.329 ( 0.000 63.204 0.000) 63.204 3.196 ( 0.000 -8.753 0.000) 8.753 3.308 ( 0.000 -4.359 0.000) 4.359 3.612 ( 0.000 2.787 0.000) 2.787 3.908 ( 0.000 -1.430 0.000) 1.430 3.952 ( 0.000 -0.724 0.000) 0.724 4.243 ( 0.000 1.260 0.000) 1.260 4.706 ( 0.000 -4.680 0.000) 4.680 4.776 ( 0.000 1.595 0.000) 1.595 5.268 ( 0.000 7.315 0.000) 7.315 5.814 ( 0.000 1.765 0.000) 1.765 6.017 ( 0.000 2.767 0.000) 2.767 6.356 ( 0.000 2.267 0.000) 2.267 7.334 ( 0.000 1.423 0.000) 1.423 7.525 ( 0.000 -6.387 0.000) 6.387 7.801 ( 0.000 -2.833 0.000) 2.833 7.875 ( 0.000 1.228 0.000) 1.228 8.358 ( 0.000 -6.078 0.000) 6.078 8.404 ( 0.000 -0.767 0.000) 0.767 8.641 ( 0.000 2.578 0.000) 2.578 8.953 ( 0.000 -10.164 0.000) 10.164 9.246 ( 0.000 9.571 0.000) 9.571 9.252 ( 0.000 3.310 0.000) 3.310 9.674 ( 0.000 -11.990 0.000) 11.990 10.302 ( 0.000 -13.219 0.000) 13.219 10.350 ( 0.000 4.215 0.000) 4.215 10.680 ( 0.000 -1.538 0.000) 1.538 10.728 ( 0.000 -1.853 0.000) 1.853 11.044 ( 0.000 8.896 0.000) 8.896 11.293 ( 0.000 14.611 0.000) 14.611 12.431 ( 0.000 6.942 0.000) 6.942 12.549 ( 0.000 -14.111 0.000) 14.111 12.946 ( 0.000 -10.024 0.000) 10.024 12.953 ( 0.000 3.548 0.000) 3.548 13.165 ( 0.000 -3.759 0.000) 3.759 13.657 ( 0.000 5.267 0.000) 5.267 14.141 ( 0.000 4.148 0.000) 4.148 14.396 ( 0.000 -3.161 0.000) 3.161 14.535 ( 0.000 -0.025 0.000) 0.025 15.232 ( 0.000 -2.345 0.000) 2.345 15.400 ( 0.000 -13.225 0.000) 13.225 15.566 ( 0.000 -7.391 0.000) 7.391 17.013 ( 0.000 -4.310 0.000) 4.310 17.238 ( 0.000 1.738 0.000) 1.738 17.714 ( 0.000 25.080 0.000) 25.080 19.742 ( 0.000 -4.183 0.000) 4.183 ======================= Grid point 10 (7/205) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 17.902 19.337 -0.716) 26.361 1.071 ( 25.440 24.330 7.269) 35.945 1.745 ( 36.896 44.431 7.528) 58.242 3.169 ( -2.910 -9.189 1.657) 9.780 3.305 ( 1.508 -3.296 -3.629) 5.129 3.630 ( 0.419 2.823 2.363) 3.705 3.872 ( -3.864 -2.647 2.993) 5.559 3.989 ( 4.318 1.113 -2.923) 5.332 4.264 ( 0.777 1.598 3.049) 3.528 4.693 ( -2.908 -3.333 -0.694) 4.477 4.786 ( 1.066 0.876 0.920) 1.659 5.287 ( -2.391 2.068 3.012) 4.366 5.966 ( 7.381 -4.750 6.047) 10.659 6.055 ( 1.842 2.700 8.368) 8.983 6.394 ( 3.330 2.444 2.681) 4.924 7.340 ( -1.390 0.321 0.428) 1.490 7.519 ( -0.213 -5.644 -2.443) 6.154 7.904 ( 3.706 0.477 0.559) 3.778 7.969 ( 9.751 -4.939 0.258) 10.934 8.371 ( -6.913 -2.963 3.314) 8.219 8.408 ( -2.747 -2.687 -3.237) 5.024 8.471 ( 4.030 -3.302 -5.608) 7.655 8.986 ( -8.917 2.114 -10.541) 13.967 9.145 ( -0.620 -2.087 3.929) 4.492 9.248 ( -4.261 6.098 0.331) 7.447 9.477 ( -14.581 -8.472 -2.047) 16.988 10.239 ( -2.993 -7.614 -5.442) 9.825 10.427 ( -2.421 -2.220 9.969) 10.496 10.653 ( 6.034 -9.020 -2.413) 11.118 10.816 ( 2.419 5.154 7.957) 9.784 11.108 ( 3.389 5.739 3.297) 7.435 11.560 ( 17.671 8.118 11.643) 22.665 11.895 ( -29.511 19.764 19.359) 40.451 12.429 ( -0.877 9.973 2.594) 10.342 12.889 ( -1.017 -14.740 0.626) 14.788 13.083 ( -0.527 -4.750 3.695) 6.041 13.395 ( 4.818 -6.931 -4.600) 9.614 13.747 ( -0.379 -9.584 1.504) 9.708 14.004 ( -10.639 4.262 -5.496) 12.710 14.182 ( -12.898 1.755 -4.192) 13.675 14.780 ( 20.581 -11.284 0.777) 23.484 15.303 ( 4.652 -3.293 1.560) 5.909 15.462 ( -0.682 -16.068 -0.065) 16.082 16.049 ( 36.229 -26.767 -0.117) 45.044 17.023 ( 1.108 -3.511 0.546) 3.722 17.250 ( 1.186 1.722 0.335) 2.117 17.690 ( -2.460 24.505 0.463) 24.632 19.166 ( -33.656 26.889 -19.560) 47.311 ======================= Grid point 11 (8/205) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 22.244 9.737 -2.834) 24.447 1.612 ( 26.712 16.887 6.619) 32.288 2.569 ( 38.649 19.759 7.573) 44.062 3.135 ( 0.389 -6.399 5.582) 8.501 3.327 ( 1.840 -0.758 -3.425) 3.961 3.638 ( -0.178 0.364 1.257) 1.321 3.792 ( -5.107 -2.100 0.120) 5.523 4.093 ( 7.355 2.739 -0.797) 7.889 4.258 ( -4.058 4.165 4.775) 7.524 4.625 ( -2.653 -4.725 -2.769) 6.086 4.810 ( 1.090 1.868 0.454) 2.209 5.210 ( -5.428 1.972 0.375) 5.787 6.089 ( 3.668 -0.276 5.932) 6.980 6.142 ( 2.996 1.849 8.032) 8.769 6.505 ( 6.264 1.979 4.904) 8.197 7.288 ( -2.499 1.604 -4.582) 5.460 7.497 ( -0.558 -4.764 -4.198) 6.374 7.939 ( -3.862 -0.726 0.297) 3.940 8.054 ( 2.256 2.141 -7.334) 7.966 8.241 ( 1.130 -7.238 -5.795) 9.341 8.400 ( -0.819 1.233 2.458) 2.870 8.559 ( -3.506 -5.152 -3.561) 7.178 8.754 ( -8.292 0.371 -8.445) 11.841 8.874 ( -16.993 1.363 -5.460) 17.901 9.060 ( -10.733 3.546 4.657) 12.226 9.498 ( 10.500 -0.065 1.393) 10.592 10.170 ( -1.918 -5.947 -2.059) 6.579 10.370 ( -6.628 -1.184 9.562) 11.694 10.674 ( -5.099 -0.130 3.631) 6.261 10.911 ( 2.032 7.643 1.562) 8.061 11.265 ( 11.277 -6.579 7.840) 15.229 11.529 ( -11.876 9.272 17.349) 22.978 11.992 ( 12.466 -1.609 2.160) 12.754 12.457 ( 3.588 13.388 3.341) 14.258 12.863 ( -1.691 -12.793 1.939) 13.049 13.070 ( -2.698 -4.725 4.434) 7.019 13.413 ( 0.303 -2.808 0.247) 2.835 13.542 ( -14.576 -3.823 -2.054) 15.209 13.792 ( -7.964 5.629 -8.035) 12.636 14.062 ( -0.041 -1.887 -2.583) 3.199 15.095 ( 7.038 -17.349 -2.247) 18.856 15.282 ( -1.851 -6.237 3.047) 7.184 15.552 ( 7.857 -9.509 -0.234) 12.337 16.547 ( 15.377 -23.057 1.152) 27.738 17.070 ( 3.364 -0.679 1.874) 3.910 17.288 ( 2.683 1.983 0.578) 3.386 17.633 ( -3.386 22.697 0.413) 22.951 18.598 ( -18.119 22.618 -15.764) 32.991 ======================= Grid point 12 (9/205) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 19.194 3.992 -3.487) 19.912 2.133 ( 23.744 10.628 6.921) 26.919 2.896 ( -1.933 -9.253 0.978) 9.504 3.314 ( -2.629 1.596 -3.647) 4.771 3.519 ( 26.842 7.463 6.621) 28.636 3.649 ( 1.175 -2.418 1.815) 3.244 3.707 ( 0.237 1.498 1.226) 1.950 4.141 ( -7.776 6.658 2.436) 10.523 4.272 ( 9.732 4.270 2.068) 10.826 4.554 ( -3.906 -4.637 -4.869) 7.775 4.829 ( 0.663 2.304 -0.186) 2.405 5.108 ( -5.282 3.038 2.373) 6.539 6.171 ( 2.320 2.072 4.453) 5.432 6.229 ( 2.794 1.920 5.226) 6.229 6.667 ( 7.527 0.764 7.681) 10.781 7.220 ( -1.968 2.667 -5.523) 6.441 7.449 ( -2.900 -5.349 -7.702) 9.816 7.771 ( -8.484 -3.352 -5.292) 10.546 8.100 ( 2.141 0.271 -0.337) 2.184 8.205 ( -9.842 0.846 -10.982) 14.771 8.298 ( -6.198 1.560 -9.865) 11.755 8.326 ( -8.048 -1.340 -2.740) 8.606 8.500 ( -2.620 7.083 0.162) 7.554 8.856 ( -5.690 -1.189 3.756) 6.920 8.967 ( 4.323 1.417 5.529) 7.160 9.731 ( 11.289 3.896 4.243) 12.674 10.141 ( -1.154 -3.639 -0.015) 3.818 10.272 ( -6.390 -1.311 4.999) 8.218 10.573 ( -4.659 0.810 1.471) 4.952 10.913 ( -1.345 16.224 1.928) 16.394 11.324 ( -7.837 -13.724 4.061) 16.318 11.613 ( 9.887 -4.549 13.101) 17.032 12.089 ( -0.406 4.557 -0.213) 4.580 12.534 ( 0.631 -1.795 -1.218) 2.260 12.888 ( 2.963 -9.933 0.171) 10.367 13.034 ( -2.803 -5.380 6.522) 8.907 13.324 ( -3.579 0.669 0.046) 3.641 13.455 ( 1.545 2.351 4.115) 4.984 13.640 ( -3.589 6.850 -9.692) 12.400 14.084 ( 2.981 -4.893 -2.119) 6.109 14.940 ( -13.991 -10.525 -2.681) 17.712 15.418 ( 7.768 -12.025 2.242) 14.490 15.681 ( 5.275 -8.813 -0.598) 10.289 16.718 ( 4.012 -15.000 0.694) 15.543 17.145 ( 2.493 4.427 2.565) 5.692 17.364 ( 4.575 5.185 1.528) 7.081 17.576 ( -2.394 19.951 -0.151) 20.094 18.280 ( -9.895 8.254 -10.542) 16.649 ======================= Grid point 13 (10/205) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 8.602 0.811 -1.832) 8.832 2.536 ( 12.590 4.562 4.771) 14.215 2.842 ( -0.959 -7.732 1.449) 7.925 3.165 ( -8.690 3.412 -4.671) 10.440 3.649 ( 0.549 -7.357 0.320) 7.385 3.680 ( 2.237 -1.454 0.034) 2.668 3.984 ( -2.825 5.775 -1.606) 6.626 4.115 ( 16.039 6.688 10.319) 20.210 4.405 ( -8.840 -2.380 -6.785) 11.395 4.476 ( 7.906 9.017 1.412) 12.075 4.820 ( -1.326 1.328 -0.781) 2.033 5.041 ( -2.496 4.288 2.143) 5.405 6.210 ( 0.415 2.939 1.685) 3.413 6.285 ( 1.254 2.111 1.601) 2.932 6.848 ( 6.540 -0.738 8.189) 10.505 7.176 ( -0.662 3.034 -2.021) 3.706 7.276 ( -8.217 -6.226 -11.172) 15.201 7.663 ( -1.465 -1.884 0.018) 2.387 7.978 ( -4.362 0.707 -2.927) 5.301 8.088 ( -4.868 1.045 -3.706) 6.207 8.173 ( 0.492 -0.593 -2.271) 2.398 8.294 ( -0.022 0.917 -0.618) 1.106 8.492 ( -0.110 18.775 0.337) 18.778 8.778 ( -2.300 -8.198 1.658) 8.675 9.068 ( 2.492 1.236 2.160) 3.522 9.921 ( 5.113 12.707 4.163) 14.315 10.124 ( 0.205 -5.596 -0.087) 5.600 10.178 ( -4.565 -1.889 1.030) 5.046 10.550 ( 1.666 -1.221 -1.784) 2.729 10.889 ( -1.954 16.842 2.334) 17.115 11.190 ( -5.107 -16.658 0.856) 17.444 11.795 ( 3.761 -4.217 5.702) 8.027 12.062 ( -0.870 6.735 -1.366) 6.927 12.502 ( -1.601 -7.960 -0.622) 8.144 12.918 ( 2.394 -11.898 -3.547) 12.644 12.980 ( -4.950 -10.557 3.871) 12.286 13.404 ( 6.180 5.885 3.498) 9.223 13.489 ( -1.878 5.003 6.143) 8.142 13.576 ( 1.329 6.390 -8.588) 10.787 14.155 ( 4.497 -9.018 -1.515) 10.190 14.664 ( -10.915 -4.222 -1.051) 11.750 15.527 ( 2.693 -13.496 0.691) 13.780 15.746 ( 1.700 -8.890 -0.330) 9.057 16.760 ( 0.757 -12.235 0.201) 12.260 17.179 ( 0.500 6.988 1.008) 7.078 17.447 ( 2.358 13.684 1.595) 13.977 17.546 ( -0.463 17.086 -0.481) 17.099 18.114 ( -3.745 -3.511 -4.093) 6.566 ======================= Grid point 18 (11/205) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 26.097 0.000) 26.097 1.423 ( 0.000 32.048 0.000) 32.048 2.548 ( 0.000 54.389 0.000) 54.389 2.931 ( 0.000 -16.285 0.000) 16.285 3.169 ( 0.000 -9.325 0.000) 9.325 3.688 ( 0.000 4.267 0.000) 4.267 3.927 ( 0.000 3.197 0.000) 3.197 3.938 ( 0.000 -0.400 0.000) 0.400 4.232 ( 0.000 -2.223 0.000) 2.223 4.634 ( 0.000 -1.993 0.000) 1.993 4.807 ( 0.000 1.086 0.000) 1.086 5.353 ( 0.000 -1.078 0.000) 1.078 5.886 ( 0.000 5.718 0.000) 5.718 6.093 ( 0.000 4.194 0.000) 4.194 6.428 ( 0.000 4.768 0.000) 4.768 7.311 ( 0.000 -10.113 0.000) 10.113 7.418 ( 0.000 3.167 0.000) 3.167 7.747 ( 0.000 -1.897 0.000) 1.897 7.902 ( 0.000 0.945 0.000) 0.945 8.209 ( 0.000 -7.734 0.000) 7.734 8.372 ( 0.000 -2.346 0.000) 2.346 8.661 ( 0.000 -17.059 0.000) 17.059 8.723 ( 0.000 4.943 0.000) 4.943 9.347 ( 0.000 6.002 0.000) 6.002 9.351 ( 0.000 -12.387 0.000) 12.387 9.528 ( 0.000 10.868 0.000) 10.868 10.117 ( 0.000 -4.606 0.000) 4.606 10.438 ( 0.000 2.545 0.000) 2.545 10.652 ( 0.000 -0.514 0.000) 0.514 10.680 ( 0.000 -1.758 0.000) 1.758 11.155 ( 0.000 1.796 0.000) 1.796 11.628 ( 0.000 17.183 0.000) 17.183 12.161 ( 0.000 -21.721 0.000) 21.721 12.599 ( 0.000 8.181 0.000) 8.181 12.731 ( 0.000 -10.546 0.000) 10.546 13.081 ( 0.000 9.065 0.000) 9.065 13.102 ( 0.000 -3.632 0.000) 3.632 13.700 ( 0.000 -0.682 0.000) 0.682 14.228 ( 0.000 3.440 0.000) 3.440 14.321 ( 0.000 -3.674 0.000) 3.674 14.546 ( 0.000 1.405 0.000) 1.405 15.054 ( 0.000 -17.343 0.000) 17.343 15.161 ( 0.000 -4.411 0.000) 4.411 15.401 ( 0.000 -8.928 0.000) 8.928 17.032 ( 0.000 4.671 0.000) 4.671 17.277 ( 0.000 1.744 0.000) 1.744 18.230 ( 0.000 24.524 0.000) 24.524 19.613 ( 0.000 -8.406 0.000) 8.406 ======================= Grid point 19 (12/205) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 9.374 22.467 -0.583) 24.351 1.604 ( 15.846 26.658 5.500) 31.496 2.713 ( 13.087 40.197 0.554) 42.278 2.929 ( 2.173 -8.954 2.583) 9.569 3.185 ( 2.820 -7.839 -1.885) 8.541 3.712 ( 1.005 4.716 0.631) 4.863 3.861 ( -4.222 1.944 2.248) 5.163 4.008 ( 4.644 0.758 0.080) 4.706 4.256 ( 1.347 -2.317 4.398) 5.150 4.641 ( -0.830 -1.077 0.935) 1.650 4.806 ( 0.516 0.852 -0.725) 1.231 5.312 ( -3.463 -1.705 -1.672) 4.207 5.970 ( 6.538 4.012 3.546) 8.451 6.135 ( 2.184 4.531 7.363) 8.918 6.459 ( 2.812 4.133 2.214) 5.467 7.325 ( 0.604 -9.972 -0.427) 9.999 7.413 ( 0.178 3.497 -4.144) 5.425 7.847 ( 8.932 -4.841 0.944) 10.203 7.925 ( 2.254 0.778 1.063) 2.611 8.279 ( 3.006 -5.840 3.666) 7.522 8.342 ( -5.166 -3.117 -7.633) 9.730 8.422 ( -3.313 -2.776 -7.310) 8.493 8.902 ( 1.388 -7.342 7.126) 10.325 9.218 ( -6.694 7.785 -8.152) 13.110 9.276 ( -7.832 -10.706 -0.396) 13.271 9.486 ( -5.597 13.030 3.846) 14.693 10.081 ( -0.852 -5.595 -5.077) 7.603 10.427 ( -3.436 0.282 9.359) 9.974 10.568 ( 1.601 1.145 -6.734) 7.016 10.849 ( 6.048 -2.472 8.586) 10.790 11.131 ( -2.969 -0.771 4.439) 5.396 11.782 ( 13.200 12.216 1.711) 18.067 11.996 ( -15.585 -9.793 7.627) 19.924 12.656 ( -0.580 7.394 -5.046) 8.970 12.682 ( -0.283 -1.649 9.557) 9.702 13.011 ( -2.937 -0.809 1.530) 3.409 13.173 ( 3.896 -9.305 -4.387) 11.000 13.674 ( -5.039 -2.339 3.137) 6.380 14.079 ( -11.618 2.159 -3.770) 12.404 14.185 ( -9.269 -0.666 -4.038) 10.132 14.666 ( 11.158 -1.306 -2.015) 11.413 15.074 ( 0.648 -17.901 -1.049) 17.944 15.221 ( 5.926 -4.877 1.519) 7.824 15.701 ( 24.390 -13.001 1.009) 27.657 17.050 ( 1.832 4.784 0.877) 5.198 17.289 ( 1.236 1.787 0.271) 2.190 18.191 ( -3.894 23.627 -0.101) 23.946 19.375 ( -19.922 -0.473 -7.885) 21.431 ======================= Grid point 20 (13/205) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 13.367 15.283 -2.030) 20.405 1.990 ( 19.914 18.755 6.440) 28.103 2.766 ( -3.405 -7.391 -1.481) 8.271 3.186 ( 8.257 0.774 8.019) 11.536 3.336 ( 20.169 14.836 -3.905) 25.341 3.692 ( -2.648 4.641 -0.748) 5.396 3.806 ( -1.439 5.802 0.363) 5.989 4.121 ( 6.312 -0.665 3.577) 7.286 4.304 ( -0.234 -0.252 9.247) 9.253 4.593 ( -2.798 2.302 -3.148) 4.800 4.829 ( 2.073 0.097 -1.025) 2.315 5.225 ( -4.644 -1.358 -0.241) 4.844 6.119 ( 7.025 3.526 1.671) 8.036 6.216 ( 2.073 4.624 9.482) 10.751 6.553 ( 5.233 2.793 4.415) 7.394 7.313 ( -1.162 -6.903 -2.577) 7.459 7.386 ( -0.346 1.482 -7.516) 7.669 7.896 ( -5.014 -4.744 -0.374) 6.913 8.085 ( 10.470 -1.868 0.253) 10.638 8.114 ( -2.845 1.476 -12.236) 12.648 8.353 ( -1.063 -2.438 0.639) 2.735 8.478 ( 2.542 -3.912 2.684) 5.382 8.735 ( -15.899 -2.532 -10.209) 19.063 8.961 ( -6.551 4.747 -2.814) 8.566 9.299 ( -7.052 14.303 8.324) 17.989 9.404 ( 6.298 -5.630 2.482) 8.805 10.082 ( 3.186 -3.396 -5.195) 6.977 10.376 ( -6.063 0.031 10.572) 12.187 10.613 ( 1.374 -0.718 -1.344) 2.052 10.970 ( 4.583 -1.251 5.983) 7.640 11.102 ( -2.669 -7.368 6.837) 10.399 11.737 ( -13.387 1.818 10.029) 16.825 12.041 ( 11.183 6.397 0.406) 12.889 12.527 ( -6.428 -2.286 -7.129) 9.868 12.783 ( 2.117 4.171 6.742) 8.206 12.971 ( -2.899 -5.592 3.020) 6.985 13.231 ( 3.378 -9.045 1.585) 9.784 13.518 ( -9.036 -1.973 1.180) 9.323 13.877 ( -7.132 2.300 -4.430) 8.705 14.032 ( -4.465 -1.124 -3.010) 5.501 14.788 ( 0.444 -11.326 -5.697) 12.686 15.124 ( 6.808 -7.748 -0.466) 10.324 15.361 ( 6.646 -7.233 1.602) 9.953 16.150 ( 19.374 -17.086 1.002) 25.851 17.118 ( 4.662 4.620 2.213) 6.926 17.328 ( 2.820 1.795 0.302) 3.357 18.092 ( -5.839 21.320 -0.183) 22.106 18.906 ( -22.606 7.340 -9.353) 25.542 ======================= Grid point 21 (14/205) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 12.939 7.868 -2.837) 15.407 2.394 ( 18.501 13.330 6.712) 23.770 2.676 ( -4.948 -11.202 -0.233) 12.248 3.272 ( 0.239 -5.365 3.774) 6.564 3.586 ( 1.545 2.137 -7.067) 7.543 3.619 ( -2.390 -1.479 -1.955) 3.424 3.957 ( 15.939 18.942 1.383) 24.794 4.273 ( 4.704 -2.000 5.982) 7.869 4.301 ( -2.674 6.371 11.756) 13.636 4.559 ( 2.773 5.202 -5.501) 8.063 4.867 ( 2.462 1.211 -2.612) 3.788 5.142 ( -4.479 -0.415 2.815) 5.306 6.237 ( 4.280 4.258 0.926) 6.108 6.294 ( 2.370 4.172 6.531) 8.104 6.686 ( 5.909 1.134 6.424) 8.802 7.260 ( -3.190 -6.204 -3.981) 8.032 7.329 ( -1.861 1.416 -9.113) 9.408 7.740 ( -6.818 -0.865 -4.099) 8.002 8.097 ( 1.945 0.211 -3.639) 4.132 8.204 ( -9.868 -0.119 -9.012) 13.364 8.235 ( 2.303 -3.136 -2.227) 4.483 8.338 ( -12.470 -0.646 -6.816) 14.226 8.559 ( 3.300 1.639 2.852) 4.659 9.013 ( 6.244 5.672 3.964) 9.320 9.136 ( -8.728 19.878 3.161) 21.938 9.648 ( 12.374 -9.342 10.416) 18.679 10.147 ( 6.521 0.283 -8.429) 10.661 10.296 ( -5.788 1.350 6.108) 8.523 10.561 ( -5.676 0.869 2.144) 6.129 11.003 ( -6.706 -12.636 1.177) 14.353 11.119 ( 2.070 1.662 8.723) 9.118 11.634 ( -0.912 2.185 10.062) 10.337 12.180 ( 3.322 3.485 -1.227) 4.969 12.377 ( -5.267 -6.778 -6.784) 10.941 12.752 ( -5.438 -7.430 -1.937) 9.409 12.908 ( -5.292 -4.183 4.093) 7.891 13.335 ( 5.918 -0.827 6.244) 8.643 13.470 ( 2.518 -1.616 3.397) 4.527 13.745 ( -4.173 3.156 -5.412) 7.528 13.969 ( -2.098 -5.668 -1.013) 6.128 14.685 ( -6.022 -10.443 -6.733) 13.807 15.277 ( 7.440 -2.733 -0.131) 7.927 15.465 ( 3.491 -9.973 0.845) 10.601 16.422 ( 8.842 -14.961 0.499) 17.385 17.230 ( 4.450 4.142 2.945) 6.755 17.419 ( 7.119 0.883 0.805) 7.219 17.984 ( -4.779 18.641 -0.261) 19.246 18.467 ( -18.844 8.121 -7.600) 21.882 ======================= Grid point 22 (15/205) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 6.097 3.214 -1.583) 7.072 2.576 ( -2.867 -6.421 1.000) 7.103 2.746 ( 11.957 4.327 3.875) 13.293 3.210 ( -6.228 0.043 -0.921) 6.295 3.507 ( -2.082 -5.041 -1.602) 5.684 3.645 ( 2.190 -1.898 -1.406) 3.221 4.124 ( 1.008 7.162 -2.903) 7.793 4.284 ( 0.993 6.545 9.083) 11.240 4.375 ( 0.781 3.055 -1.859) 3.660 4.687 ( 8.415 10.200 1.789) 13.344 4.881 ( -0.137 3.978 -3.511) 5.308 5.082 ( -2.692 -0.864 2.855) 4.017 6.289 ( 0.972 4.581 1.005) 4.790 6.354 ( 1.469 4.324 1.589) 4.835 6.829 ( 5.310 -0.956 6.844) 8.714 7.124 ( -6.751 -7.538 -7.318) 12.488 7.272 ( -0.570 5.655 -3.490) 6.670 7.652 ( -1.441 0.239 -0.734) 1.635 7.999 ( -4.303 1.048 -3.874) 5.884 8.088 ( -2.929 -0.947 -2.464) 3.943 8.163 ( -1.737 -0.783 -2.490) 3.135 8.265 ( 0.488 -2.574 -0.459) 2.660 8.656 ( 3.412 2.311 1.703) 4.459 9.019 ( -3.745 25.058 1.089) 25.359 9.119 ( 2.488 4.518 1.699) 5.430 9.896 ( 6.863 -7.785 7.747) 12.951 10.218 ( -2.006 2.888 -1.512) 3.828 10.250 ( 4.723 6.309 -3.369) 8.571 10.477 ( -2.020 -2.318 0.080) 3.076 10.824 ( -9.278 -14.215 2.646) 17.179 11.170 ( 0.645 7.644 2.245) 7.993 11.724 ( 3.535 -3.035 5.075) 6.889 12.190 ( -0.114 1.282 0.856) 1.546 12.266 ( -3.980 -8.681 -4.602) 10.600 12.669 ( -0.662 -12.283 -3.350) 12.749 12.826 ( -3.880 -3.798 2.912) 6.161 13.473 ( 5.548 0.563 -0.275) 5.584 13.544 ( 0.006 -1.103 8.198) 8.272 13.683 ( 0.428 3.460 -4.751) 5.893 13.924 ( -2.004 -11.428 -0.644) 11.620 14.560 ( -3.349 -3.819 -3.229) 6.019 15.379 ( 2.930 0.221 -0.135) 2.941 15.505 ( 0.712 -13.375 0.281) 13.397 16.523 ( 2.224 -12.277 0.118) 12.477 17.288 ( 1.035 4.471 1.060) 4.710 17.589 ( 7.394 -0.682 1.802) 7.641 17.926 ( -0.685 17.290 -0.039) 17.303 18.136 ( -11.445 6.675 -4.075) 13.862 ======================= Grid point 27 (16/205) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 24.385 0.000) 24.385 2.035 ( 0.000 27.465 0.000) 27.465 2.549 ( 0.000 -20.232 0.000) 20.232 2.917 ( 0.000 -15.174 0.000) 15.174 3.470 ( 0.000 30.424 0.000) 30.424 3.761 ( 0.000 2.133 0.000) 2.133 3.956 ( 0.000 2.664 0.000) 2.664 4.055 ( 0.000 9.733 0.000) 9.733 4.178 ( 0.000 -0.099 0.000) 0.099 4.611 ( 0.000 -1.166 0.000) 1.166 4.822 ( 0.000 0.913 0.000) 0.913 5.197 ( 0.000 -13.397 0.000) 13.397 6.028 ( 0.000 6.983 0.000) 6.983 6.160 ( 0.000 1.578 0.000) 1.578 6.561 ( 0.000 8.532 0.000) 8.532 7.051 ( 0.000 -13.674 0.000) 13.674 7.561 ( 0.000 9.781 0.000) 9.781 7.739 ( 0.000 1.390 0.000) 1.390 7.885 ( 0.000 -3.243 0.000) 3.243 8.054 ( 0.000 -8.470 0.000) 8.470 8.314 ( 0.000 -3.074 0.000) 3.074 8.339 ( 0.000 -11.257 0.000) 11.257 8.821 ( 0.000 4.326 0.000) 4.326 9.085 ( 0.000 -11.115 0.000) 11.115 9.501 ( 0.000 8.901 0.000) 8.901 9.728 ( 0.000 4.492 0.000) 4.492 10.104 ( 0.000 3.030 0.000) 3.030 10.382 ( 0.000 -7.146 0.000) 7.146 10.689 ( 0.000 4.567 0.000) 4.567 10.711 ( 0.000 3.951 0.000) 3.951 11.170 ( 0.000 1.586 0.000) 1.586 11.713 ( 0.000 -21.409 0.000) 21.409 11.968 ( 0.000 15.647 0.000) 15.647 12.508 ( 0.000 -11.354 0.000) 11.354 12.745 ( 0.000 6.340 0.000) 6.340 13.003 ( 0.000 -5.891 0.000) 5.891 13.299 ( 0.000 11.081 0.000) 11.081 13.642 ( 0.000 -4.933 0.000) 4.933 14.260 ( 0.000 -2.035 0.000) 2.035 14.261 ( 0.000 -0.217 0.000) 0.217 14.603 ( 0.000 4.100 0.000) 4.100 14.784 ( 0.000 -8.064 0.000) 8.064 15.070 ( 0.000 -3.693 0.000) 3.693 15.207 ( 0.000 -9.437 0.000) 9.437 17.151 ( 0.000 6.033 0.000) 6.033 17.294 ( 0.000 -0.376 0.000) 0.376 18.701 ( 0.000 21.184 0.000) 21.184 19.397 ( 0.000 -12.691 0.000) 12.691 ======================= Grid point 28 (17/205) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 4.133 21.911 -1.150) 22.327 2.122 ( 7.980 22.251 0.984) 23.659 2.554 ( 0.071 -16.651 2.192) 16.795 2.948 ( 3.003 -13.379 1.480) 13.792 3.533 ( 5.804 22.985 -0.905) 23.723 3.791 ( 2.158 1.899 -2.247) 3.648 3.954 ( -0.232 5.079 5.473) 7.471 4.093 ( 3.994 11.398 1.635) 12.188 4.193 ( 1.064 -0.866 2.010) 2.434 4.639 ( 2.077 -0.205 1.836) 2.780 4.818 ( -0.485 0.780 -0.248) 0.952 5.173 ( -2.291 -11.810 0.404) 12.037 6.085 ( 5.148 6.131 1.554) 8.155 6.209 ( 3.483 1.735 4.300) 5.800 6.577 ( 1.373 7.887 1.832) 8.212 7.062 ( 0.680 -13.856 0.733) 13.892 7.554 ( -0.226 8.916 -5.037) 10.242 7.797 ( 4.631 -0.478 -2.241) 5.167 7.919 ( 4.580 -1.295 1.000) 4.864 8.164 ( 10.104 -7.174 3.607) 12.906 8.247 ( -3.734 -4.083 -9.279) 10.804 8.335 ( 0.113 -4.828 -0.392) 4.845 8.818 ( -3.498 -0.089 6.727) 7.583 9.043 ( -5.385 -10.468 1.046) 11.819 9.411 ( -4.732 10.289 -8.012) 13.873 9.673 ( -5.599 2.797 -0.230) 6.263 10.075 ( -1.437 4.768 -1.898) 5.329 10.363 ( -3.755 -6.409 9.130) 11.770 10.682 ( 2.769 8.203 -4.892) 9.944 10.793 ( 3.568 -1.033 7.268) 8.162 11.122 ( -5.123 0.956 2.184) 5.650 11.648 ( -5.460 -19.364 -0.167) 20.120 12.052 ( 6.754 12.433 1.467) 14.224 12.526 ( 1.575 -10.113 -0.424) 10.244 12.822 ( 5.734 5.585 5.643) 9.794 13.026 ( 1.738 -5.446 2.374) 6.190 13.145 ( -13.217 11.301 -2.532) 17.573 13.581 ( -7.281 -7.129 1.570) 10.310 14.096 ( -11.115 0.268 -2.794) 11.464 14.159 ( -8.327 -2.076 -3.109) 9.128 14.680 ( 3.990 1.744 -2.859) 5.210 14.811 ( 5.350 -7.094 -1.875) 9.081 15.147 ( 7.512 -1.043 1.502) 7.732 15.443 ( 18.790 -12.226 1.532) 22.469 17.169 ( 1.728 5.943 0.811) 6.242 17.308 ( 1.352 -0.292 0.345) 1.425 18.640 ( -5.883 19.991 -0.721) 20.851 19.260 ( -12.491 -9.601 -3.724) 16.188 ======================= Grid point 29 (18/205) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 6.045 16.550 -2.477) 17.793 2.296 ( 8.504 4.474 -1.215) 9.685 2.585 ( 2.054 -1.521 6.035) 6.554 3.040 ( 4.564 -10.145 4.851) 12.136 3.610 ( 2.348 6.672 -5.975) 9.259 3.764 ( -3.481 0.953 -5.654) 6.707 4.055 ( 6.666 4.374 10.591) 13.257 4.206 ( 4.374 15.276 -3.668) 16.308 4.269 ( 7.723 2.820 11.154) 13.857 4.686 ( 0.951 5.191 2.500) 5.839 4.810 ( 1.228 -1.733 -2.925) 3.615 5.126 ( -2.983 -8.792 2.283) 9.561 6.213 ( 6.856 4.938 0.971) 8.505 6.301 ( 3.416 2.626 5.135) 6.703 6.633 ( 3.185 5.796 3.677) 7.567 7.071 ( -0.219 -13.288 0.226) 13.291 7.507 ( -1.268 7.502 -8.505) 11.411 7.792 ( -2.572 -5.069 -5.508) 7.915 8.096 ( 9.315 2.761 0.571) 9.732 8.152 ( -0.939 1.329 -8.280) 8.438 8.334 ( 0.508 -0.686 -1.905) 2.088 8.397 ( 7.278 -3.463 3.682) 8.861 8.679 ( -12.105 -1.443 -2.727) 12.492 8.931 ( -1.087 -8.946 4.545) 10.093 9.354 ( 0.912 5.973 -1.451) 6.214 9.567 ( -4.299 5.935 3.080) 7.949 10.055 ( 0.362 2.373 -2.478) 3.450 10.324 ( -4.390 -5.510 8.956) 11.395 10.733 ( 2.688 10.327 -2.695) 11.006 10.881 ( 2.160 -2.334 5.404) 6.270 11.026 ( -5.171 -2.049 7.071) 8.997 11.542 ( -5.209 -16.740 2.662) 17.732 12.178 ( 4.627 6.565 -0.671) 8.060 12.542 ( -0.128 -5.646 -1.243) 5.783 12.802 ( -14.372 7.022 -5.475) 16.907 12.979 ( -0.241 5.054 6.910) 8.565 13.106 ( 5.218 -4.408 6.250) 9.258 13.404 ( -8.428 -9.492 1.111) 12.742 13.906 ( -6.969 1.105 -3.418) 7.841 13.991 ( -7.155 -2.941 -2.875) 8.253 14.673 ( -1.019 0.692 -5.359) 5.499 14.967 ( 9.414 -8.616 -2.660) 13.036 15.320 ( 8.571 4.257 1.830) 9.743 15.813 ( 17.373 -15.977 1.132) 23.630 17.227 ( 3.705 5.332 1.735) 6.721 17.349 ( 2.706 -0.100 0.460) 2.747 18.487 ( -9.023 16.916 -1.010) 19.198 18.934 ( -18.093 -3.787 -5.120) 19.181 ======================= Grid point 30 (19/205) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 6.531 10.785 -2.682) 12.891 2.384 ( 1.348 -12.516 -1.925) 12.735 2.716 ( 8.107 13.047 7.769) 17.213 3.137 ( 2.290 -7.402 6.159) 9.898 3.594 ( -0.765 -0.142 -6.019) 6.069 3.630 ( -5.957 0.677 -7.132) 9.317 4.217 ( 5.017 0.079 4.431) 6.695 4.246 ( 1.602 4.546 2.329) 5.353 4.527 ( 8.958 15.971 11.556) 21.653 4.690 ( 2.427 6.495 -3.122) 7.604 4.868 ( 5.668 -1.289 -3.465) 6.767 5.079 ( -3.748 -5.962 4.772) 8.507 6.332 ( 4.796 4.537 -0.037) 6.602 6.379 ( 2.861 3.381 3.874) 5.884 6.723 ( 3.880 3.038 4.965) 6.995 7.047 ( -2.170 -11.201 -1.638) 11.526 7.445 ( -1.176 7.037 -7.541) 10.381 7.700 ( -3.501 -3.510 -5.053) 7.079 8.117 ( 0.204 1.654 -3.970) 4.306 8.199 ( 1.898 -1.368 -3.183) 3.950 8.209 ( -10.129 1.025 -7.306) 12.531 8.301 ( -12.534 -2.515 -6.987) 14.569 8.648 ( 8.892 8.060 6.811) 13.800 9.129 ( 12.638 0.835 6.486) 14.230 9.384 ( 1.630 -2.393 2.471) 3.806 9.570 ( 2.418 10.081 8.226) 13.234 10.061 ( 2.077 -5.821 -6.731) 9.138 10.271 ( -3.970 -4.729 3.902) 7.304 10.715 ( -3.581 12.429 1.016) 12.975 10.849 ( -6.581 0.271 3.790) 7.599 11.084 ( 5.661 -4.335 8.772) 11.304 11.508 ( 0.621 -14.539 4.997) 15.386 12.159 ( -6.500 0.305 -2.653) 7.027 12.504 ( -12.784 -9.889 -3.183) 16.473 12.530 ( 0.602 10.965 -5.088) 12.103 12.899 ( -7.006 0.702 0.866) 7.094 13.268 ( 6.387 -4.846 8.341) 11.570 13.374 ( 2.635 -7.312 4.259) 8.863 13.784 ( -4.103 1.071 -3.789) 5.686 13.863 ( -5.293 -4.263 -2.127) 7.121 14.628 ( -0.888 4.983 -5.295) 7.325 15.110 ( 6.249 -13.294 -2.262) 14.862 15.466 ( 5.564 9.305 1.203) 10.908 16.088 ( 10.549 -17.348 0.494) 20.310 17.316 ( 3.952 4.088 2.213) 6.101 17.420 ( 4.735 -0.707 0.423) 4.806 18.313 ( -7.841 13.145 -0.795) 15.326 18.567 ( -16.882 1.233 -4.367) 17.481 ======================= Grid point 31 (20/205) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 3.428 6.908 -1.281) 7.817 2.371 ( -1.050 -11.187 -0.301) 11.241 2.908 ( 7.059 8.527 4.152) 11.823 3.162 ( -1.586 -4.109 2.767) 5.201 3.468 ( -4.602 0.988 -3.999) 6.176 3.597 ( 0.750 -2.955 -2.637) 4.031 4.253 ( 0.552 4.917 -0.712) 4.999 4.320 ( 2.141 0.502 2.634) 3.431 4.568 ( -2.485 11.213 3.723) 12.074 4.857 ( 10.449 5.027 -3.104) 12.004 4.955 ( 3.474 2.251 -2.464) 4.818 5.011 ( -5.940 -4.531 6.139) 9.669 6.389 ( 1.335 4.843 0.282) 5.032 6.440 ( 1.680 3.320 1.035) 3.862 6.817 ( 3.349 0.108 4.630) 5.715 6.972 ( -3.674 -7.008 -3.600) 8.693 7.406 ( -0.389 7.113 -2.889) 7.687 7.639 ( -1.189 -2.302 -1.631) 3.062 8.015 ( -4.801 0.621 -3.591) 6.028 8.063 ( -4.206 -1.392 -3.659) 5.746 8.143 ( -0.714 -0.502 -1.781) 1.984 8.206 ( -0.106 -2.910 -0.215) 2.920 8.824 ( 4.897 13.401 2.950) 14.569 9.277 ( 1.785 12.145 0.690) 12.295 9.441 ( 1.846 5.323 1.794) 5.913 9.723 ( 6.594 -1.583 8.534) 10.900 10.066 ( 1.256 -17.074 -6.938) 18.473 10.212 ( -2.386 -4.311 -0.110) 4.928 10.658 ( -1.769 13.163 1.306) 13.345 10.729 ( -5.753 5.674 2.554) 8.475 11.215 ( 3.484 -1.722 4.090) 5.642 11.587 ( 3.573 -12.941 3.434) 13.857 12.004 ( -5.069 -4.684 -2.158) 7.231 12.257 ( -8.702 -8.414 -2.632) 12.388 12.561 ( 2.391 6.571 -2.720) 7.502 12.799 ( -3.210 -0.006 0.825) 3.314 13.398 ( 4.513 -7.192 1.643) 8.649 13.440 ( 0.376 -7.021 4.988) 8.621 13.721 ( -0.840 0.770 -2.427) 2.681 13.770 ( -3.063 -3.569 -1.187) 4.851 14.600 ( -0.207 8.229 -2.215) 8.525 15.183 ( 2.098 -15.978 -0.892) 16.139 15.540 ( 1.837 12.396 0.399) 12.538 16.222 ( 3.359 -17.001 0.105) 17.330 17.374 ( 1.291 3.923 0.885) 4.224 17.521 ( 4.056 -3.896 0.571) 5.653 18.209 ( -1.908 10.032 -0.034) 10.212 18.288 ( -9.297 5.805 -2.207) 11.180 ======================= Grid point 36 (21/205) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 -22.470 0.000) 22.470 2.111 ( 0.000 22.470 0.000) 22.470 2.539 ( 0.000 -21.625 0.000) 21.625 2.539 ( 0.000 21.625 0.000) 21.625 3.754 ( 0.000 -3.555 0.000) 3.555 3.754 ( 0.000 3.555 0.000) 3.555 4.041 ( 0.000 -4.862 0.000) 4.862 4.041 ( 0.000 4.862 0.000) 4.862 4.488 ( 0.000 -15.065 0.000) 15.065 4.488 ( 0.000 15.065 0.000) 15.065 4.905 ( 0.000 -10.118 0.000) 10.118 4.905 ( 0.000 10.118 0.000) 10.118 6.140 ( 0.000 -3.505 0.000) 3.505 6.140 ( 0.000 3.505 0.000) 3.505 6.778 ( 0.000 -12.404 0.000) 12.404 6.778 ( 0.000 12.404 0.000) 12.404 7.781 ( 0.000 -7.807 0.000) 7.807 7.781 ( 0.000 7.807 0.000) 7.807 7.826 ( 0.000 -10.024 0.000) 10.024 7.826 ( 0.000 10.024 0.000) 10.024 8.261 ( 0.000 -1.286 0.000) 1.286 8.261 ( 0.000 1.286 0.000) 1.286 8.915 ( 0.000 -5.753 0.000) 5.753 8.915 ( 0.000 5.753 0.000) 5.753 9.682 ( 0.000 -7.349 0.000) 7.349 9.682 ( 0.000 7.349 0.000) 7.349 10.219 ( 0.000 -7.531 0.000) 7.531 10.219 ( 0.000 7.531 0.000) 7.531 10.765 ( 0.000 -0.313 0.000) 0.313 10.765 ( 0.000 0.313 0.000) 0.313 11.323 ( 0.000 -14.727 0.000) 14.727 11.323 ( 0.000 14.727 0.000) 14.727 12.261 ( 0.000 -12.978 0.000) 12.978 12.261 ( 0.000 12.978 0.000) 12.978 12.874 ( 0.000 -6.394 0.000) 6.394 12.874 ( 0.000 6.394 0.000) 6.394 13.503 ( 0.000 -8.502 0.000) 8.502 13.503 ( 0.000 8.502 0.000) 8.502 14.245 ( 0.000 -0.494 0.000) 0.494 14.245 ( 0.000 0.494 0.000) 0.494 14.687 ( 0.000 -3.458 0.000) 3.458 14.687 ( 0.000 3.458 0.000) 3.458 15.059 ( 0.000 -3.674 0.000) 3.674 15.059 ( 0.000 3.674 0.000) 3.674 17.254 ( 0.000 -3.621 0.000) 3.621 17.254 ( 0.000 3.621 0.000) 3.621 19.092 ( 0.000 -17.014 0.000) 17.014 19.092 ( 0.000 17.014 0.000) 17.014 ======================= Grid point 38 (22/205) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.018 -19.395 -2.914) 19.612 2.102 ( 0.018 19.395 -2.914) 19.612 2.619 ( 6.536 -18.139 4.571) 19.815 2.619 ( 6.536 18.139 4.571) 19.815 3.760 ( 0.190 -4.689 -1.895) 5.061 3.760 ( 0.190 4.689 -1.895) 5.061 4.059 ( 1.337 -5.598 5.088) 7.682 4.059 ( 1.337 5.598 5.088) 7.682 4.529 ( 4.796 -14.599 -2.456) 15.562 4.529 ( 4.796 14.599 -2.456) 15.562 4.903 ( -1.199 -10.106 3.591) 10.792 4.903 ( -1.199 10.106 3.591) 10.792 6.189 ( 4.299 -3.476 1.827) 5.823 6.189 ( 4.299 3.476 1.827) 5.823 6.788 ( 0.604 -12.352 1.435) 12.450 6.788 ( 0.604 12.352 1.435) 12.450 7.735 ( -1.606 -7.108 -6.557) 9.803 7.735 ( -1.606 7.108 -6.557) 9.803 7.970 ( 11.827 -8.076 2.384) 14.518 7.970 ( 11.827 8.076 2.384) 14.518 8.253 ( -0.249 -2.969 -0.374) 3.003 8.253 ( -0.249 2.969 -0.374) 3.003 8.877 ( -5.264 -5.546 2.353) 8.000 8.877 ( -5.264 5.546 2.353) 8.000 9.608 ( -4.679 -7.759 -5.913) 10.819 9.608 ( -4.679 7.759 -5.913) 10.819 10.210 ( -2.241 -7.509 5.078) 9.338 10.210 ( -2.241 7.509 5.078) 9.338 10.794 ( 2.258 -1.347 2.975) 3.971 10.794 ( 2.258 1.347 2.975) 3.971 11.272 ( -4.622 -14.976 -0.816) 15.695 11.272 ( -4.622 14.976 -0.816) 15.695 12.299 ( 3.281 -11.651 -0.451) 12.112 12.299 ( 3.281 11.651 -0.451) 12.112 12.924 ( 3.783 -4.696 4.557) 7.558 12.924 ( 3.783 4.696 4.557) 7.558 13.388 ( -11.232 -11.259 -0.592) 15.915 13.388 ( -11.232 11.259 -0.592) 15.915 14.114 ( -9.421 -1.745 -2.732) 9.963 14.114 ( -9.421 1.745 -2.732) 9.963 14.726 ( 3.443 -2.874 -2.525) 5.147 14.726 ( 3.443 2.874 -2.525) 5.147 15.223 ( 13.838 -8.281 1.689) 16.215 15.223 ( 13.838 8.281 1.689) 16.215 17.270 ( 1.517 -3.517 0.564) 3.871 17.270 ( 1.517 3.517 0.564) 3.871 19.003 ( -8.524 -15.299 -1.782) 17.604 19.003 ( -8.524 15.299 -1.782) 17.604 ======================= Grid point 40 (23/205) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 1.220 -15.529 -3.553) 15.977 2.098 ( 1.220 15.529 -3.553) 15.977 2.794 ( 8.034 -13.584 7.162) 17.331 2.794 ( 8.034 13.584 7.162) 17.331 3.716 ( -2.912 -4.477 -6.314) 8.270 3.716 ( -2.912 4.477 -6.314) 8.270 4.144 ( 3.623 -5.574 9.159) 11.317 4.144 ( 3.623 5.574 9.159) 11.317 4.646 ( 8.695 -12.249 -5.232) 15.906 4.646 ( 8.695 12.249 -5.232) 15.906 4.889 ( -2.371 -11.308 6.828) 13.421 4.889 ( -2.371 11.308 6.828) 13.421 6.297 ( 5.547 -2.763 1.773) 6.446 6.297 ( 5.547 2.763 1.773) 6.446 6.811 ( 0.895 -11.319 2.437) 11.613 6.811 ( 0.895 11.319 2.437) 11.613 7.665 ( -2.140 -7.401 -8.354) 11.364 7.665 ( -2.140 7.401 -8.354) 11.364 8.160 ( 3.425 -1.639 -4.612) 5.974 8.160 ( 3.425 1.639 -4.612) 5.974 8.331 ( 8.238 -2.199 2.837) 8.986 8.331 ( 8.238 2.199 2.837) 8.986 8.736 ( -6.713 -7.269 2.702) 10.257 8.736 ( -6.713 7.269 2.702) 10.257 9.527 ( -0.974 -7.888 -1.701) 8.128 9.527 ( -0.974 7.888 -1.701) 8.128 10.174 ( -3.548 -7.859 3.978) 9.496 10.174 ( -3.548 7.859 3.979) 9.496 10.869 ( 3.069 -3.807 5.271) 7.189 10.869 ( 3.069 3.807 5.271) 7.189 11.167 ( -5.122 -17.337 0.436) 18.083 11.167 ( -5.122 17.337 0.436) 18.083 12.343 ( 0.587 -9.807 -1.635) 9.959 12.343 ( 0.587 9.807 -1.635) 9.959 12.995 ( -3.855 -6.663 1.375) 7.820 12.995 ( -3.855 6.663 1.375) 7.820 13.160 ( -5.639 -12.341 3.723) 14.070 13.160 ( -5.639 12.341 3.723) 14.070 13.936 ( -7.294 -2.060 -3.371) 8.296 13.936 ( -7.294 2.060 -3.371) 8.296 14.782 ( 3.620 -8.436 -3.537) 9.837 14.782 ( 3.620 8.436 -3.537) 9.837 15.509 ( 13.869 -12.985 1.276) 19.041 15.509 ( 13.869 12.985 1.276) 19.041 17.316 ( 2.957 -3.095 1.016) 4.399 17.316 ( 2.957 3.095 1.016) 4.399 18.776 ( -13.131 -11.177 -2.527) 17.428 18.776 ( -13.131 11.177 -2.527) 17.428 ======================= Grid point 42 (24/205) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 2.215 -12.694 -2.508) 13.128 2.119 ( 2.215 12.694 -2.508) 13.128 2.961 ( 5.493 -10.220 7.621) 13.882 2.961 ( 5.493 10.220 7.621) 13.882 3.612 ( -4.010 -1.636 -7.537) 8.692 3.612 ( -4.010 1.636 -7.537) 8.692 4.250 ( 3.267 -2.333 6.726) 7.833 4.250 ( 3.267 2.333 6.726) 7.833 4.772 ( 5.246 -3.632 -7.858) 10.122 4.772 ( 5.246 3.632 -7.858) 10.122 4.899 ( 1.047 -9.936 10.038) 14.163 4.899 ( 1.047 9.937 10.038) 14.163 6.400 ( 4.287 -1.548 0.888) 4.643 6.400 ( 4.287 1.548 0.888) 4.643 6.839 ( 0.692 -8.434 2.464) 8.814 6.839 ( 0.692 8.434 2.464) 8.814 7.591 ( -1.763 -6.761 -6.632) 9.633 7.591 ( -1.763 6.761 -6.632) 9.633 8.159 ( -0.377 -2.276 -3.211) 3.953 8.159 ( -0.377 2.276 -3.211) 3.953 8.248 ( -11.000 -2.464 -7.657) 13.627 8.248 ( -11.000 2.464 -7.657) 13.627 8.898 ( 15.027 -15.380 9.758) 23.613 8.898 ( 15.027 15.380 9.758) 23.613 9.547 ( 2.391 -11.588 1.578) 11.937 9.547 ( 2.391 11.588 1.578) 11.937 10.108 ( -4.138 -9.285 -0.112) 10.166 10.108 ( -4.138 9.285 -0.112) 10.166 10.904 ( -3.098 -5.825 5.527) 8.607 10.904 ( -3.098 5.825 5.527) 8.607 11.146 ( 3.599 -17.271 2.925) 17.883 11.146 ( 3.599 17.271 2.925) 17.883 12.259 ( -8.932 -9.201 -2.225) 13.015 12.259 ( -8.932 9.201 -2.225) 13.015 12.815 ( -6.511 -10.683 -4.466) 13.283 12.815 ( -6.511 10.683 -4.466) 13.283 13.237 ( 4.256 -3.798 8.058) 9.873 13.237 ( 4.256 3.798 8.058) 9.873 13.806 ( -4.661 -1.526 -3.245) 5.880 13.806 ( -4.661 1.526 -3.245) 5.880 14.829 ( 2.678 -13.008 -3.002) 13.616 14.829 ( 2.678 13.008 -3.002) 13.616 15.738 ( 9.105 -16.064 0.544) 18.473 15.738 ( 9.105 16.064 0.544) 18.473 17.387 ( 3.598 -2.614 1.110) 4.584 17.387 ( 3.598 2.614 1.110) 4.584 18.514 ( -12.114 -6.315 -2.100) 13.822 18.514 ( -12.114 6.315 -2.100) 13.822 ======================= Grid point 44 (25/205) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 1.198 -10.120 -0.867) 10.228 2.148 ( 1.198 10.120 -0.867) 10.228 3.058 ( 1.789 -6.064 3.853) 7.404 3.058 ( 1.789 6.064 3.853) 7.404 3.525 ( -1.837 -3.796 -3.847) 5.708 3.525 ( -1.837 3.796 -3.847) 5.708 4.316 ( 1.397 -1.356 2.212) 2.947 4.316 ( 1.397 1.356 2.212) 2.947 4.784 ( -0.033 -9.400 -1.694) 9.551 4.784 ( -0.033 9.400 -1.694) 9.551 4.984 ( 2.503 -1.292 2.823) 3.988 4.984 ( 2.503 1.292 2.823) 3.988 6.462 ( 1.669 -1.494 0.246) 2.254 6.462 ( 1.669 1.494 0.246) 2.254 6.855 ( 0.103 -3.931 1.072) 4.076 6.855 ( 0.103 3.931 1.072) 4.076 7.548 ( -0.610 -6.223 -2.374) 6.688 7.548 ( -0.610 6.223 -2.374) 6.688 8.034 ( -5.287 -1.291 -3.739) 6.603 8.034 ( -5.287 1.291 -3.739) 6.603 8.156 ( -0.156 -1.735 -0.984) 2.000 8.156 ( -0.156 1.735 -0.984) 2.000 9.166 ( 7.096 -18.810 4.165) 20.531 9.166 ( 7.096 18.810 4.165) 20.531 9.610 ( 2.603 -18.614 1.515) 18.857 9.610 ( 2.603 18.614 1.515) 18.857 10.027 ( -2.948 -12.848 -1.844) 13.310 10.027 ( -2.948 12.848 -1.844) 13.310 10.850 ( -2.688 -2.066 2.426) 4.169 10.850 ( -2.688 2.066 2.426) 4.169 11.268 ( 4.892 -12.405 2.754) 13.617 11.268 ( 4.892 12.405 2.754) 13.617 12.053 ( -7.884 -7.963 -2.059) 11.393 12.053 ( -7.884 7.963 -2.059) 11.393 12.743 ( -0.737 -7.055 -1.880) 7.338 12.743 ( -0.737 7.055 -1.880) 7.338 13.324 ( 1.685 -2.125 3.554) 4.470 13.324 ( 1.685 2.125 3.554) 4.470 13.733 ( -1.648 -0.748 -1.612) 2.424 13.733 ( -1.648 0.748 -1.612) 2.424 14.855 ( 0.978 -15.280 -1.173) 15.356 14.855 ( 0.978 15.280 -1.173) 15.356 15.857 ( 3.123 -17.579 0.112) 17.854 15.857 ( 3.123 17.579 0.112) 17.854 17.448 ( 1.904 -3.391 0.532) 3.925 17.448 ( 1.904 3.391 0.532) 3.925 18.332 ( -5.188 -1.864 -0.838) 5.576 18.332 ( -5.188 1.864 -0.838) 5.576 ======================= Grid point 81 (26/205) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 3.786 0.000 26.273) 26.544 0.640 ( 19.366 0.000 31.975) 37.382 1.054 ( -9.083 0.000 52.025) 52.812 3.207 ( -2.780 0.000 -9.451) 9.851 3.401 ( 2.444 0.000 10.022) 10.315 3.620 ( 0.121 0.000 -2.384) 2.388 3.839 ( 2.029 0.000 -3.321) 3.892 3.864 ( 2.036 0.000 -7.368) 7.644 4.415 ( -1.720 0.000 13.745) 13.852 4.699 ( 0.370 0.000 -6.676) 6.687 4.807 ( -1.314 0.000 3.271) 3.526 5.334 ( 3.882 0.000 -14.299) 14.817 5.875 ( 10.704 0.000 2.099) 10.907 6.249 ( 5.604 0.000 19.236) 20.036 6.295 ( 2.368 0.000 -1.371) 2.736 7.446 ( 0.421 0.000 -14.141) 14.147 7.809 ( 19.084 0.000 2.671) 19.270 7.888 ( 7.019 0.000 5.842) 9.132 7.992 ( -2.544 0.000 -2.193) 3.359 8.082 ( -18.926 0.000 12.667) 22.774 8.472 ( 0.655 0.000 7.975) 8.002 8.624 ( -2.880 0.000 4.212) 5.102 8.940 ( -9.188 0.000 -11.262) 14.534 9.165 ( 0.801 0.000 2.739) 2.854 9.329 ( 0.688 0.000 4.138) 4.195 10.021 ( -2.452 0.000 -4.404) 5.040 10.255 ( -12.345 0.000 -5.656) 13.579 10.587 ( 15.362 0.000 -1.871) 15.475 10.589 ( 4.502 0.000 -1.526) 4.753 10.873 ( -8.683 0.000 9.228) 12.671 10.907 ( 1.579 0.000 -2.334) 2.818 11.295 ( 13.844 0.000 6.309) 15.214 12.303 ( 0.724 0.000 -4.595) 4.652 12.602 ( 33.262 0.000 1.819) 33.312 12.969 ( 4.332 0.000 -9.158) 10.131 13.233 ( 5.044 0.000 -3.892) 6.371 13.635 ( -0.994 0.000 9.498) 9.550 13.919 ( -0.544 0.000 -7.158) 7.179 14.205 ( -7.225 0.000 5.930) 9.347 14.399 ( -3.589 0.000 -3.181) 4.796 15.298 ( 1.368 0.000 4.279) 4.492 15.435 ( 61.783 0.000 -3.038) 61.858 15.651 ( -0.420 0.000 -1.907) 1.952 15.939 ( -46.696 0.000 -1.312) 46.715 17.029 ( 0.101 0.000 0.503) 0.513 17.211 ( 0.049 0.000 -0.732) 0.734 17.267 ( 1.012 0.000 -0.197) 1.031 17.563 ( -29.983 0.000 -1.017) 30.001 ======================= Grid point 82 (27/205) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 27.316 0.000 18.562) 33.026 1.015 ( 5.899 0.000 36.491) 36.965 1.710 ( 44.787 0.000 31.302) 54.642 3.146 ( 0.419 0.000 -8.254) 8.264 3.467 ( -0.629 0.000 10.673) 10.691 3.615 ( 1.253 0.000 -5.378) 5.522 3.797 ( -3.846 0.000 -5.382) 6.615 3.887 ( 3.948 0.000 -7.305) 8.304 4.453 ( -2.519 0.000 15.482) 15.686 4.662 ( -0.498 0.000 -8.002) 8.018 4.780 ( -1.693 0.000 1.800) 2.471 5.254 ( -3.470 0.000 -7.066) 7.872 5.996 ( 3.824 0.000 -6.990) 7.968 6.355 ( -1.499 0.000 17.683) 17.746 6.390 ( 7.326 0.000 2.130) 7.629 7.389 ( 0.511 0.000 -15.714) 15.722 7.655 ( -15.762 0.000 13.781) 20.937 7.929 ( -2.426 0.000 -4.847) 5.420 7.983 ( 2.737 0.000 3.260) 4.257 8.324 ( 12.818 0.000 6.988) 14.599 8.434 ( -8.189 0.000 9.115) 12.253 8.669 ( -12.555 0.000 -12.718) 17.871 8.706 ( 7.062 0.000 12.065) 13.980 9.228 ( -15.282 0.000 -1.445) 15.350 9.271 ( 7.739 0.000 3.218) 8.381 9.481 ( -27.516 0.000 -9.248) 29.028 10.255 ( 2.415 0.000 -5.066) 5.612 10.651 ( 2.319 0.000 -0.320) 2.341 10.738 ( -8.549 0.000 8.307) 11.920 10.873 ( -4.642 0.000 -1.466) 4.868 11.046 ( 25.759 0.000 8.928) 27.262 11.680 ( 21.012 0.000 2.687) 21.183 12.044 ( -22.266 0.000 1.479) 22.315 12.604 ( -13.874 0.000 14.371) 19.975 13.004 ( 3.459 0.000 -7.923) 8.645 13.328 ( 5.171 0.000 -1.223) 5.314 13.423 ( -14.376 0.000 13.215) 19.528 13.777 ( -12.052 0.000 -6.191) 13.550 14.024 ( -28.098 0.000 0.502) 28.102 14.080 ( -3.950 0.000 0.970) 4.067 15.193 ( 4.634 0.000 10.039) 11.057 15.407 ( 4.533 0.000 4.673) 6.511 15.605 ( -2.090 0.000 -1.883) 2.813 17.033 ( 0.003 0.000 0.660) 0.660 17.081 ( 53.829 0.000 -42.421) 68.536 17.200 ( -1.737 0.000 -0.646) 1.853 17.276 ( -0.219 0.000 1.108) 1.130 17.300 ( -1.526 0.000 -0.865) 1.754 ======================= Grid point 83 (28/205) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 13.341 0.000 27.994) 31.011 1.613 ( 28.808 0.000 13.369) 31.759 2.670 ( 39.539 0.000 20.087) 44.348 3.137 ( 1.203 0.000 -6.843) 6.948 3.468 ( -2.494 0.000 9.426) 9.750 3.620 ( 1.964 0.000 -9.333) 9.537 3.690 ( -3.247 0.000 -4.017) 5.165 3.964 ( 7.750 0.000 -8.481) 11.489 4.394 ( -10.264 0.000 13.744) 17.153 4.607 ( -2.046 0.000 -7.634) 7.904 4.792 ( 1.785 0.000 2.136) 2.783 5.166 ( -3.588 0.000 -2.783) 4.540 6.027 ( 3.561 0.000 -7.770) 8.548 6.372 ( -3.236 0.000 10.932) 11.401 6.587 ( 10.699 0.000 6.696) 12.622 7.327 ( 0.225 0.000 -17.441) 17.443 7.470 ( -10.422 0.000 17.519) 20.385 7.852 ( -3.254 0.000 -5.492) 6.384 8.065 ( 3.368 0.000 1.173) 3.567 8.297 ( -7.955 0.000 12.118) 14.496 8.366 ( -13.692 0.000 -12.288) 18.398 8.509 ( 1.376 0.000 16.168) 16.227 8.683 ( -26.885 0.000 -9.623) 28.555 8.891 ( 5.664 0.000 8.781) 10.449 9.171 ( -10.433 0.000 0.823) 10.466 9.488 ( 12.409 0.000 7.396) 14.446 10.271 ( 0.945 0.000 -1.762) 2.000 10.581 ( -10.641 0.000 5.450) 11.955 10.650 ( -4.704 0.000 -4.951) 6.829 10.733 ( -5.753 0.000 2.312) 6.200 11.545 ( 19.773 0.000 8.435) 21.497 11.710 ( -12.380 0.000 4.805) 13.280 12.100 ( 22.707 0.000 -4.234) 23.099 12.395 ( -15.276 0.000 10.534) 18.556 13.043 ( 3.822 0.000 -4.448) 5.865 13.250 ( -8.839 0.000 7.349) 11.495 13.361 ( -2.489 0.000 -12.581) 12.825 13.526 ( -7.420 0.000 4.503) 8.680 13.572 ( -18.423 0.000 0.207) 18.424 14.061 ( 1.063 0.000 -1.307) 1.685 15.344 ( -10.913 0.000 0.712) 10.936 15.420 ( 11.994 0.000 1.348) 12.070 15.670 ( 6.725 0.000 2.341) 7.121 17.036 ( -0.017 0.000 0.691) 0.692 17.118 ( -4.473 0.000 1.470) 4.708 17.268 ( -1.419 0.000 2.451) 2.832 17.287 ( 2.136 0.000 -1.206) 2.452 17.649 ( 23.658 0.000 -31.410) 39.323 ======================= Grid point 84 (29/205) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 14.548 0.000 22.307) 26.632 2.187 ( 24.940 0.000 9.974) 26.860 3.092 ( -3.439 0.000 -7.853) 8.573 3.102 ( -3.579 0.000 5.965) 6.956 3.594 ( 2.006 0.000 -9.353) 9.566 3.692 ( 2.702 0.000 -1.221) 2.965 3.712 ( 25.879 0.000 11.049) 28.140 4.105 ( 10.616 0.000 -9.131) 14.003 4.215 ( -12.942 0.000 11.221) 17.129 4.501 ( -6.222 0.000 -5.953) 8.611 4.837 ( 1.180 0.000 2.634) 2.886 5.080 ( -4.734 0.000 -1.484) 4.961 6.066 ( 3.616 0.000 -8.008) 8.787 6.331 ( -3.823 0.000 3.782) 5.378 6.823 ( 8.496 0.000 6.447) 10.665 7.238 ( -0.773 0.000 -15.510) 15.529 7.405 ( -5.595 0.000 21.773) 22.481 7.763 ( -4.287 0.000 -2.216) 4.826 8.042 ( -10.577 0.000 -10.152) 14.661 8.061 ( -4.023 0.000 2.046) 4.513 8.286 ( -0.014 0.000 15.317) 15.317 8.321 ( -9.455 0.000 -2.782) 9.856 8.566 ( -3.108 0.000 20.369) 20.605 8.977 ( 1.653 0.000 -0.578) 1.751 9.006 ( -6.921 0.000 0.351) 6.930 9.752 ( 7.847 0.000 10.743) 13.304 10.261 ( -3.023 0.000 1.653) 3.445 10.408 ( -6.866 0.000 -0.541) 6.888 10.463 ( -6.134 0.000 -7.234) 9.485 10.713 ( -0.408 0.000 2.218) 2.255 11.556 ( -7.332 0.000 3.224) 8.010 11.847 ( 9.435 0.000 3.331) 10.005 12.104 ( -16.269 0.000 2.552) 16.468 12.442 ( 12.705 0.000 -7.386) 14.696 13.138 ( 5.853 0.000 -5.877) 8.294 13.158 ( -3.507 0.000 5.640) 6.641 13.197 ( -0.380 0.000 -14.881) 14.886 13.307 ( -10.317 0.000 2.817) 10.694 13.521 ( 0.345 0.000 6.274) 6.284 14.099 ( 3.804 0.000 -1.185) 3.984 15.080 ( -16.154 0.000 2.282) 16.315 15.612 ( 7.801 0.000 -2.131) 8.087 15.797 ( 4.739 0.000 3.013) 5.616 17.040 ( 0.219 0.000 0.570) 0.610 17.048 ( -3.171 0.000 0.121) 3.173 17.244 ( -2.377 0.000 3.181) 3.971 17.325 ( 2.295 0.000 -1.847) 2.946 17.874 ( 12.968 0.000 -19.190) 23.161 ======================= Grid point 85 (30/205) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 7.624 0.000 22.457) 23.716 2.584 ( 7.105 0.000 4.085) 8.196 2.938 ( -9.588 0.000 -1.805) 9.756 2.985 ( 1.497 0.000 -5.279) 5.488 3.623 ( 2.746 0.000 -6.817) 7.349 3.738 ( 1.757 0.000 -0.723) 1.900 4.050 ( -7.314 0.000 11.515) 13.642 4.165 ( 8.383 0.000 -1.305) 8.484 4.270 ( 5.856 0.000 -10.107) 11.681 4.343 ( 0.642 0.000 3.182) 3.246 4.849 ( -0.988 0.000 1.421) 1.730 4.962 ( -6.046 0.000 -3.096) 6.792 6.073 ( 0.706 0.000 -9.011) 9.039 6.284 ( -2.056 0.000 1.847) 2.764 6.824 ( -5.592 0.000 -11.161) 12.483 7.319 ( 10.427 0.000 5.749) 11.907 7.425 ( -3.227 0.000 24.170) 24.384 7.678 ( -1.570 0.000 -0.264) 1.592 7.991 ( 6.356 0.000 -0.560) 6.380 8.000 ( -3.056 0.000 5.476) 6.271 8.208 ( -3.001 0.000 1.925) 3.565 8.363 ( 0.005 0.000 16.323) 16.323 8.581 ( -4.735 0.000 21.219) 21.740 8.909 ( -2.909 0.000 -1.806) 3.424 8.964 ( -0.565 0.000 -8.864) 8.882 9.797 ( -4.873 0.000 2.635) 5.540 10.162 ( -6.081 0.000 1.353) 6.230 10.342 ( -0.248 0.000 -4.259) 4.266 10.437 ( 3.905 0.000 -3.358) 5.150 10.710 ( -1.976 0.000 3.934) 4.402 11.418 ( -7.288 0.000 0.380) 7.298 11.875 ( -6.373 0.000 -1.608) 6.573 11.954 ( 1.397 0.000 -1.288) 1.900 12.530 ( 2.077 0.000 -5.341) 5.731 13.055 ( -1.017 0.000 -21.974) 21.998 13.139 ( -1.881 0.000 2.797) 3.370 13.206 ( -1.525 0.000 8.132) 8.274 13.301 ( 4.285 0.000 -7.203) 8.381 13.578 ( 3.050 0.000 4.626) 5.541 14.221 ( 9.131 0.000 -0.016) 9.131 14.792 ( -13.678 0.000 6.502) 15.144 15.695 ( 2.236 0.000 -4.377) 4.915 15.873 ( 1.682 0.000 3.680) 4.047 16.998 ( -1.682 0.000 -1.184) 2.057 17.048 ( 0.359 0.000 0.399) 0.537 17.208 ( -2.574 0.000 2.835) 3.829 17.352 ( 1.313 0.000 -2.156) 2.525 18.017 ( 9.234 0.000 -10.949) 14.323 ======================= Grid point 86 (31/205) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -12.799 0.000 25.382) 28.427 2.395 ( -19.695 0.000 -3.122) 19.941 2.846 ( 3.856 0.000 -6.243) 7.338 3.210 ( 15.406 0.000 1.868) 15.518 3.590 ( -2.724 0.000 -5.148) 5.824 3.730 ( -1.581 0.000 -1.900) 2.472 3.860 ( -26.939 0.000 -7.292) 27.908 4.086 ( 3.993 0.000 13.423) 14.005 4.265 ( -2.380 0.000 -9.146) 9.450 4.569 ( 9.076 0.000 3.256) 9.642 4.814 ( -2.459 0.000 -0.567) 2.524 4.891 ( 2.304 0.000 -4.778) 5.304 6.022 ( -1.490 0.000 -9.435) 9.552 6.252 ( -2.748 0.000 1.591) 3.175 6.662 ( -5.645 0.000 -9.136) 10.739 7.466 ( 3.280 0.000 -4.805) 5.818 7.474 ( -2.969 0.000 24.091) 24.274 7.829 ( 12.538 0.000 15.017) 19.562 8.000 ( 0.162 0.000 5.560) 5.562 8.203 ( 11.509 0.000 3.137) 11.929 8.234 ( 7.185 0.000 8.904) 11.441 8.422 ( -1.654 0.000 18.402) 18.476 8.567 ( -5.779 0.000 18.898) 19.761 8.878 ( 1.083 0.000 -3.353) 3.524 8.887 ( -2.168 0.000 -12.718) 12.901 9.695 ( -4.736 0.000 -0.891) 4.819 10.085 ( -1.439 0.000 -2.564) 2.940 10.333 ( 1.250 0.000 -4.170) 4.354 10.483 ( 1.976 0.000 -4.797) 5.188 10.635 ( -7.544 0.000 4.148) 8.609 11.335 ( -0.371 0.000 -4.541) 4.556 11.846 ( 3.165 0.000 0.523) 3.208 11.885 ( -7.495 0.000 -4.398) 8.690 12.554 ( 3.175 0.000 -3.735) 4.902 12.880 ( -8.170 0.000 -22.309) 23.758 13.144 ( 1.741 0.000 5.326) 5.604 13.280 ( 4.353 0.000 8.045) 9.147 13.283 ( -0.171 0.000 -10.410) 10.412 13.636 ( 1.487 0.000 1.859) 2.381 14.311 ( -3.610 0.000 2.627) 4.465 14.767 ( 10.143 0.000 6.564) 12.082 15.661 ( -3.429 0.000 -5.900) 6.824 15.891 ( -1.857 0.000 4.514) 4.881 16.973 ( -0.198 0.000 -2.565) 2.573 17.052 ( -0.305 0.000 0.527) 0.609 17.178 ( -1.141 0.000 1.284) 1.718 17.353 ( -0.255 0.000 -2.090) 2.106 18.145 ( 7.871 0.000 -5.456) 9.577 ======================= Grid point 87 (32/205) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -24.599 0.000 23.766) 34.204 1.924 ( -27.357 0.000 -1.498) 27.398 2.975 ( 7.465 0.000 -0.209) 7.468 3.146 ( -41.520 0.000 -8.902) 42.464 3.459 ( 6.174 0.000 7.438) 9.667 3.528 ( 1.022 0.000 -9.268) 9.324 3.684 ( -1.129 0.000 -3.516) 3.693 4.125 ( -6.396 0.000 -8.499) 10.637 4.242 ( 4.823 0.000 13.647) 14.474 4.684 ( 3.213 0.000 -1.718) 3.643 4.767 ( -1.707 0.000 -0.363) 1.746 4.986 ( 7.787 0.000 -4.620) 9.054 5.953 ( -1.376 0.000 -6.537) 6.680 6.178 ( -5.251 0.000 -0.612) 5.287 6.523 ( -5.585 0.000 -5.918) 8.137 7.489 ( 2.528 0.000 -6.699) 7.160 7.509 ( -3.990 0.000 21.197) 21.569 8.021 ( -0.440 0.000 1.008) 1.100 8.047 ( 3.020 0.000 7.691) 8.262 8.460 ( -3.053 0.000 19.281) 19.522 8.491 ( 17.642 0.000 10.053) 20.305 8.534 ( -4.311 0.000 11.972) 12.725 8.597 ( 20.948 0.000 14.132) 25.269 8.787 ( -3.584 0.000 -5.600) 6.649 8.940 ( 7.572 0.000 -2.384) 7.939 9.605 ( -5.620 0.000 2.052) 5.983 10.081 ( 2.841 0.000 -5.754) 6.418 10.364 ( 3.851 0.000 -2.831) 4.780 10.473 ( 0.816 0.000 -11.201) 11.231 10.528 ( -2.868 0.000 2.539) 3.831 11.308 ( -1.127 0.000 -5.317) 5.435 11.632 ( -15.891 0.000 -6.140) 17.036 11.978 ( 8.868 0.000 2.497) 9.213 12.467 ( -18.761 0.000 -7.897) 20.355 12.694 ( 6.729 0.000 -15.448) 16.849 13.235 ( 0.078 0.000 -10.777) 10.777 13.252 ( 5.208 0.000 9.656) 10.971 13.439 ( 9.555 0.000 5.755) 11.154 13.687 ( 3.977 0.000 0.845) 4.066 14.223 ( -5.182 0.000 5.361) 7.456 15.065 ( 15.292 0.000 2.456) 15.488 15.513 ( -9.072 0.000 -6.585) 11.210 15.835 ( -6.084 0.000 4.753) 7.721 16.964 ( 0.742 0.000 -4.405) 4.467 17.041 ( -0.939 0.000 0.642) 1.137 17.180 ( 1.002 0.000 -0.428) 1.089 17.326 ( -1.667 0.000 -1.804) 2.456 18.271 ( 6.999 0.000 -2.824) 7.547 ======================= Grid point 88 (33/205) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -31.559 0.000 2.159) 31.633 1.445 ( -28.348 0.000 23.315) 36.704 2.183 ( -52.293 0.000 0.083) 52.293 3.148 ( 7.618 0.000 2.129) 7.910 3.446 ( -4.336 0.000 -2.144) 4.837 3.578 ( 1.974 0.000 2.846) 3.463 3.699 ( 4.914 0.000 -8.558) 9.869 3.979 ( -4.477 0.000 -8.767) 9.844 4.363 ( 1.379 0.000 12.986) 13.059 4.704 ( 0.847 0.000 -4.971) 5.043 4.758 ( 0.435 0.000 2.123) 2.167 5.091 ( 4.681 0.000 -5.787) 7.443 5.940 ( 1.790 0.000 0.383) 1.831 6.049 ( -6.730 0.000 -4.273) 7.972 6.397 ( -4.995 0.000 -4.407) 6.661 7.502 ( -5.073 0.000 16.168) 16.945 7.503 ( 2.101 0.000 -8.379) 8.639 7.977 ( -2.843 0.000 -4.431) 5.265 8.077 ( -1.314 0.000 3.333) 3.583 8.445 ( -5.859 0.000 10.406) 11.942 8.525 ( -1.330 0.000 9.877) 9.966 8.718 ( -3.915 0.000 6.436) 7.533 8.863 ( 16.267 0.000 9.599) 18.888 8.984 ( 10.546 0.000 2.121) 10.758 9.244 ( 23.414 0.000 7.808) 24.682 9.470 ( -9.765 0.000 2.691) 10.129 10.155 ( 8.176 0.000 -5.730) 9.984 10.457 ( 6.099 0.000 0.503) 6.120 10.461 ( 3.564 0.000 -12.008) 12.526 10.560 ( 5.411 0.000 3.302) 6.338 11.257 ( -2.227 0.000 2.571) 3.402 11.260 ( -19.040 0.000 -4.037) 19.463 11.965 ( -26.864 0.000 -10.614) 28.884 12.166 ( 8.596 0.000 2.373) 8.918 12.806 ( 8.686 0.000 -11.043) 14.050 13.196 ( 0.649 0.000 -9.623) 9.645 13.387 ( 3.232 0.000 12.337) 12.754 13.724 ( 17.935 0.000 4.210) 18.422 13.801 ( 7.400 0.000 -1.598) 7.571 14.181 ( -1.818 0.000 7.508) 7.725 15.258 ( -14.359 0.000 -5.967) 15.550 15.313 ( 8.487 0.000 0.710) 8.517 15.709 ( -7.852 0.000 3.506) 8.599 16.950 ( -0.140 0.000 -7.900) 7.901 17.029 ( -0.483 0.000 0.402) 0.629 17.207 ( 1.981 0.000 -1.126) 2.278 17.278 ( -2.416 0.000 -1.531) 2.860 18.373 ( 4.591 0.000 -6.053) 7.597 ======================= Grid point 89 (34/205) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -29.994 0.000 11.042) 31.962 0.897 ( -38.821 0.000 8.165) 39.670 1.316 ( -37.599 0.000 35.199) 51.504 3.290 ( 5.058 0.000 7.217) 8.813 3.326 ( -5.061 0.000 -7.980) 9.450 3.619 ( 0.334 0.000 3.187) 3.205 3.770 ( 5.940 0.000 -6.327) 8.678 3.885 ( -1.128 0.000 -8.904) 8.975 4.405 ( -2.382 0.000 12.628) 12.850 4.695 ( 1.442 0.000 -5.437) 5.625 4.792 ( 1.087 0.000 3.645) 3.804 5.146 ( 6.193 0.000 -0.355) 6.203 5.864 ( -7.685 0.000 -6.460) 10.040 6.051 ( 5.326 0.000 11.975) 13.106 6.307 ( -2.240 0.000 -3.285) 3.976 7.486 ( -0.461 0.000 13.463) 13.471 7.490 ( 1.043 0.000 -11.493) 11.540 7.905 ( -2.156 0.000 -3.413) 4.037 8.045 ( -2.583 0.000 0.662) 2.667 8.354 ( -8.544 0.000 9.582) 12.839 8.512 ( -4.965 0.000 1.872) 5.306 8.665 ( -4.047 0.000 5.874) 7.133 9.073 ( 0.276 0.000 -6.137) 6.144 9.184 ( 11.109 0.000 8.834) 14.193 9.265 ( -10.502 0.000 -0.884) 10.539 9.713 ( 21.848 0.000 1.289) 21.886 10.342 ( 11.390 0.000 -3.739) 11.988 10.505 ( 4.956 0.000 -4.886) 6.959 10.559 ( -1.018 0.000 4.037) 4.164 10.784 ( 12.961 0.000 3.960) 13.552 10.947 ( -9.247 0.000 3.406) 9.854 11.408 ( -23.443 0.000 -8.104) 24.804 11.419 ( 23.402 0.000 37.133) 43.892 12.308 ( 5.025 0.000 1.658) 5.292 12.908 ( 6.506 0.000 -9.955) 11.893 13.185 ( 2.466 0.000 -7.610) 8.000 13.489 ( 2.402 0.000 14.029) 14.233 13.909 ( 4.496 0.000 -5.833) 7.364 14.149 ( 23.550 0.000 4.716) 24.017 14.219 ( 0.780 0.000 9.704) 9.735 14.943 ( -13.702 0.000 -0.914) 13.732 15.344 ( -4.974 0.000 2.326) 5.491 15.641 ( 0.578 0.000 -0.198) 0.611 16.823 ( -11.784 0.000 -18.017) 21.529 17.026 ( -0.014 0.000 0.350) 0.350 17.229 ( -1.713 0.000 -0.999) 1.983 17.240 ( 1.896 0.000 -1.000) 2.143 18.274 ( -15.136 0.000 -24.475) 28.777 ======================= Grid point 90 (35/205) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.112 21.655 20.438) 29.777 0.976 ( 6.933 24.507 21.855) 33.560 1.601 ( -1.341 47.301 27.321) 54.640 3.171 ( -3.209 -4.362 -7.542) 9.285 3.312 ( 1.900 -8.088 6.811) 10.743 3.642 ( 1.064 1.841 -0.702) 2.240 3.823 ( 4.289 0.841 -4.347) 6.165 3.891 ( -1.118 1.046 -4.586) 4.835 4.367 ( 0.605 -3.931 7.777) 8.735 4.750 ( -1.942 3.821 -1.682) 4.605 4.780 ( 0.643 -2.718 4.380) 5.195 5.279 ( 2.327 -1.254 -6.338) 6.867 5.870 ( 5.798 1.068 4.073) 7.166 6.215 ( 4.398 -0.737 16.847) 17.427 6.343 ( 2.942 3.650 -0.449) 4.709 7.393 ( 0.765 -5.022 -11.974) 13.007 7.544 ( 1.153 -9.142 13.448) 16.303 7.813 ( 0.753 -2.030 1.074) 2.416 7.990 ( -0.377 2.488 7.958) 8.347 8.384 ( 1.925 0.394 4.901) 5.280 8.469 ( -9.952 0.524 -4.484) 10.929 8.567 ( -2.174 -2.293 6.822) 7.518 8.988 ( -6.592 4.468 -8.009) 11.294 9.083 ( 4.439 -5.070 4.656) 8.191 9.426 ( -0.723 8.124 6.362) 10.344 9.749 ( -5.626 -15.697 2.283) 16.830 10.205 ( -4.330 -7.677 -4.640) 9.960 10.393 ( 4.719 -1.826 -0.463) 5.081 10.663 ( 0.089 -3.454 3.382) 4.835 10.968 ( -2.225 5.670 6.748) 9.091 11.064 ( 6.589 6.627 3.945) 10.144 11.317 ( 11.571 7.288 3.107) 14.024 12.415 ( -0.723 9.269 -4.660) 10.400 12.493 ( 22.749 -10.372 0.010) 25.002 12.871 ( 3.288 -10.440 -6.356) 12.657 13.111 ( 10.997 -5.678 -1.499) 12.467 13.529 ( -21.373 -24.452 21.845) 39.140 13.720 ( 9.907 -0.685 10.339) 14.335 14.126 ( -9.158 1.997 1.248) 9.455 14.368 ( -2.948 -2.791 -2.720) 4.886 14.701 ( -3.102 -16.971 15.225) 23.010 15.274 ( 2.272 -3.027 3.861) 5.407 15.374 ( 4.215 -12.518 -2.658) 13.473 15.556 ( -5.484 -9.381 -0.778) 10.894 17.021 ( 0.201 -3.349 0.820) 3.453 17.240 ( 0.381 2.467 0.249) 2.509 17.681 ( 1.334 25.140 -3.259) 25.386 18.930 ( -7.029 42.872 -50.559) 66.660 ======================= Grid point 91 (36/205) ======================= q-point: ( 0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 9.114 12.091 26.390) 30.424 1.321 ( 18.096 21.649 17.838) 33.382 2.061 ( 32.726 32.090 23.337) 51.433 3.104 ( -0.447 -4.670 -6.176) 7.756 3.371 ( 1.208 -7.801 6.531) 10.245 3.649 ( -0.181 2.562 -0.831) 2.700 3.808 ( -5.040 -0.324 -5.287) 7.312 3.896 ( 6.201 3.059 -6.539) 9.517 4.438 ( 2.168 -2.892 8.594) 9.323 4.661 ( -6.433 1.545 -1.546) 6.794 4.801 ( 0.601 0.830 1.263) 1.626 5.243 ( -1.868 -0.425 -5.688) 6.002 5.985 ( 4.667 0.022 -2.247) 5.180 6.328 ( 0.761 -0.504 13.720) 13.750 6.443 ( 6.096 3.288 3.886) 7.942 7.348 ( 0.613 -3.969 -14.386) 14.936 7.509 ( -8.031 -7.388 13.914) 17.683 7.944 ( 3.514 0.569 -1.102) 3.726 8.017 ( 0.267 2.817 3.089) 4.189 8.239 ( -3.878 -10.942 0.382) 11.615 8.518 ( 0.535 5.915 9.865) 11.515 8.585 ( -0.112 -6.310 6.094) 8.773 8.779 ( -6.170 4.875 -3.785) 8.727 9.153 ( -11.996 -5.514 -2.286) 13.399 9.348 ( -9.439 8.927 4.350) 13.701 9.425 ( -7.754 -3.353 -1.025) 8.510 10.147 ( -0.428 -7.018 -4.085) 8.132 10.611 ( 7.259 -4.969 6.023) 10.661 10.688 ( 0.302 -6.453 5.817) 8.693 10.920 ( -2.633 8.909 1.131) 9.359 11.194 ( 8.254 6.030 6.058) 11.882 11.682 ( 19.247 1.272 2.184) 19.412 12.147 ( -23.054 8.442 -1.302) 24.586 12.565 ( -3.543 -5.652 7.051) 9.707 12.912 ( 1.767 -7.846 -4.377) 9.156 13.138 ( -5.708 -6.565 2.361) 9.015 13.444 ( 1.790 -9.974 11.316) 15.190 13.805 ( -9.349 -2.499 2.974) 10.123 13.889 ( -13.933 0.449 -2.725) 14.204 14.115 ( -12.202 0.576 -2.693) 12.509 14.839 ( 13.681 -19.333 4.804) 24.166 15.367 ( 2.664 -5.096 4.224) 7.135 15.456 ( 0.409 -14.749 -0.153) 14.756 16.015 ( 38.079 -25.095 -3.450) 45.734 17.041 ( 1.777 -2.274 1.244) 3.143 17.259 ( 1.284 2.338 0.608) 2.735 17.671 ( -1.128 23.522 -2.353) 23.666 18.485 ( -13.691 45.348 -36.545) 59.829 ======================= Grid point 92 (37/205) ======================= q-point: ( 0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 11.951 7.271 24.769) 28.446 1.804 ( 23.858 15.979 12.148) 31.178 2.790 ( 25.861 9.048 14.642) 31.065 3.111 ( 5.726 -0.988 -4.586) 7.403 3.431 ( 3.215 -2.611 8.389) 9.355 3.631 ( -0.380 0.304 -2.562) 2.608 3.675 ( -4.912 -0.497 -7.367) 8.868 4.018 ( 9.711 5.924 -7.620) 13.692 4.469 ( -8.319 5.968 13.345) 16.820 4.517 ( -2.393 -6.762 -7.603) 10.453 4.821 ( 0.961 1.354 0.656) 1.785 5.184 ( -2.273 1.446 -2.465) 3.651 6.050 ( 4.249 2.333 -4.911) 6.900 6.368 ( -1.761 0.054 8.888) 9.061 6.612 ( 9.140 2.019 6.051) 11.146 7.290 ( -0.037 -3.596 -16.248) 16.642 7.430 ( -6.690 -2.575 17.569) 18.975 7.810 ( -7.436 -1.391 -8.815) 11.616 8.110 ( 3.273 1.994 5.887) 7.025 8.264 ( -0.374 -6.727 6.918) 9.656 8.379 ( -11.852 1.701 -7.068) 13.904 8.551 ( -9.301 2.629 8.119) 12.623 8.648 ( -14.453 -2.243 -0.809) 14.648 8.897 ( 4.524 1.214 7.692) 9.005 9.156 ( -12.241 5.894 4.978) 14.470 9.567 ( 12.674 2.851 5.901) 14.268 10.130 ( -0.111 -8.834 -2.190) 9.102 10.564 ( -10.007 1.354 9.071) 13.574 10.697 ( -5.264 -2.923 -1.470) 6.198 10.898 ( 0.993 12.203 -3.364) 12.698 11.443 ( 9.286 -8.046 9.516) 15.541 11.769 ( -11.802 6.336 4.806) 14.231 12.000 ( 11.572 -4.638 -2.328) 12.682 12.527 ( -2.864 3.489 3.125) 5.490 12.900 ( -2.868 -10.630 0.374) 11.017 13.061 ( -0.247 -6.127 -6.924) 9.249 13.479 ( -7.686 -4.717 5.746) 10.693 13.545 ( -8.844 1.377 3.650) 9.666 13.620 ( -8.505 9.225 -6.125) 13.962 14.032 ( 0.232 -2.121 -1.007) 2.359 15.038 ( 2.267 -21.416 -3.254) 21.780 15.342 ( 0.559 -9.191 2.351) 9.503 15.581 ( 7.153 -7.682 3.322) 11.010 16.538 ( 17.132 -23.901 -2.220) 29.491 17.115 ( 5.063 0.305 2.448) 5.632 17.295 ( 2.575 2.187 0.284) 3.391 17.622 ( -2.857 21.370 -1.376) 21.604 18.154 ( -7.093 29.715 -25.059) 39.513 ======================= Grid point 93 (38/205) ======================= q-point: ( 0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 12.674 3.255 21.271) 24.974 2.298 ( 21.652 10.016 9.284) 25.600 2.939 ( -4.222 -9.132 2.909) 10.473 3.211 ( -3.170 5.356 -4.274) 7.550 3.555 ( 1.308 -4.719 -5.766) 7.565 3.632 ( 2.687 -3.951 -1.834) 5.118 3.784 ( 20.916 6.893 7.872) 23.387 4.181 ( 7.920 7.816 -7.686) 13.524 4.297 ( -6.731 4.863 2.668) 8.722 4.466 ( -4.402 -1.734 1.231) 4.889 4.833 ( -0.170 0.344 0.277) 0.473 5.130 ( -3.030 3.418 -0.380) 4.583 6.105 ( 3.564 3.598 -6.413) 8.171 6.347 ( -2.639 1.521 3.276) 4.473 6.818 ( 7.747 -0.359 5.754) 9.657 7.191 ( -2.222 -4.289 -14.637) 15.414 7.411 ( -4.353 0.529 21.859) 22.295 7.677 ( -3.160 -3.798 -3.620) 6.125 8.008 ( -10.810 -1.378 -7.864) 13.438 8.148 ( -6.362 3.107 -3.095) 7.727 8.286 ( -0.530 0.608 14.066) 14.089 8.431 ( -0.613 3.427 6.928) 7.754 8.602 ( -3.235 5.815 14.903) 16.321 8.947 ( -9.749 0.859 5.358) 11.158 8.998 ( 1.605 2.284 -0.520) 2.839 9.865 ( 12.450 6.508 9.415) 16.912 10.117 ( -0.408 -10.024 -1.887) 10.208 10.384 ( -11.124 1.856 5.275) 12.451 10.516 ( -8.285 1.811 -7.157) 11.097 10.917 ( 1.629 13.204 -1.970) 13.449 11.416 ( -10.276 -10.924 4.906) 15.780 11.817 ( 6.209 -2.917 6.806) 9.663 12.063 ( -2.943 -0.811 -3.073) 4.331 12.497 ( -0.176 0.098 -3.803) 3.808 12.823 ( -1.936 -15.344 -6.306) 16.702 13.070 ( 0.963 -7.960 -3.392) 8.706 13.351 ( -2.063 3.742 1.221) 4.444 13.417 ( -2.647 8.618 -5.809) 10.724 13.589 ( 0.131 5.380 5.891) 7.979 14.058 ( 2.782 -3.804 -0.622) 4.754 14.906 ( -11.052 -15.900 -1.093) 19.394 15.440 ( 5.779 -11.500 -0.068) 12.870 15.709 ( 4.454 -8.070 3.350) 9.807 16.717 ( 4.381 -15.806 -0.936) 16.429 17.203 ( 1.254 5.470 3.240) 6.480 17.383 ( 6.371 5.032 0.359) 8.126 17.559 ( -2.928 19.235 -1.323) 19.501 17.980 ( -1.162 10.831 -18.187) 21.199 ======================= Grid point 94 (39/205) ======================= q-point: ( 0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 6.591 0.246 21.820) 22.795 2.622 ( 3.341 3.340 3.639) 5.963 2.862 ( -3.022 -5.190 1.229) 6.130 3.060 ( -2.437 5.251 -5.421) 7.931 3.574 ( 2.174 -5.192 -6.678) 8.733 3.687 ( 2.510 -3.062 0.033) 3.959 4.022 ( -2.519 -1.144 4.504) 5.286 4.205 ( 2.783 3.081 -4.179) 5.891 4.372 ( 4.023 7.989 -4.794) 10.149 4.397 ( 2.091 3.943 3.072) 5.418 4.815 ( -1.110 1.102 -0.551) 1.658 5.055 ( -4.342 5.030 -0.626) 6.675 6.111 ( 0.298 3.634 -8.467) 9.219 6.318 ( -1.482 3.087 2.163) 4.050 6.821 ( -5.292 -0.304 -10.150) 11.451 7.238 ( 8.972 -7.064 6.079) 12.936 7.445 ( -2.691 1.779 23.627) 23.846 7.626 ( -0.877 -2.353 -2.581) 3.601 7.926 ( 3.429 -0.436 1.746) 3.872 8.069 ( 0.342 1.549 1.616) 2.264 8.346 ( -1.318 1.917 15.466) 15.640 8.469 ( 0.226 11.225 9.837) 14.927 8.602 ( -4.026 6.929 16.199) 18.073 8.803 ( -6.122 -5.729 1.449) 8.509 8.994 ( -0.560 2.940 -7.436) 8.016 9.975 ( -4.483 11.253 -0.305) 12.117 10.121 ( 1.333 -7.362 -0.098) 7.483 10.210 ( -7.883 2.379 1.645) 8.397 10.451 ( 5.274 -2.782 -5.032) 7.802 10.930 ( -0.631 14.900 0.587) 14.925 11.228 ( -9.081 -15.141 2.621) 17.849 11.832 ( -6.386 -3.713 -2.245) 7.720 12.027 ( 2.555 5.314 -1.715) 6.140 12.479 ( 0.340 -5.684 -3.059) 6.464 12.796 ( 2.440 -15.582 -10.050) 18.702 13.031 ( -3.287 -8.898 1.676) 9.632 13.337 ( 1.314 4.522 -5.491) 7.233 13.400 ( -0.701 8.692 -6.203) 10.701 13.642 ( 2.664 4.536 4.538) 6.947 14.142 ( 5.569 -8.004 0.109) 9.752 14.710 ( -7.615 -7.316 4.901) 11.642 15.510 ( 1.757 -12.386 -2.257) 12.712 15.781 ( 1.390 -8.720 3.723) 9.583 16.755 ( 0.673 -12.575 -0.789) 12.617 17.202 ( -1.678 7.260 1.267) 7.558 17.472 ( -0.652 14.627 0.891) 14.669 17.512 ( 0.979 16.234 -2.913) 16.522 17.964 ( 6.306 -3.384 -10.272) 12.520 ======================= Grid point 95 (40/205) ======================= q-point: (-0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -12.191 -0.185 24.252) 27.144 2.456 ( -16.775 5.520 -2.521) 17.839 2.789 ( 2.148 -5.073 -3.697) 6.635 3.232 ( 12.421 1.330 1.917) 12.639 3.550 ( -1.227 -3.599 -7.811) 8.688 3.682 ( -1.949 -2.545 -0.897) 3.329 3.946 ( -16.756 6.807 -4.967) 18.756 4.101 ( 1.078 2.255 8.547) 8.905 4.339 ( -5.439 4.037 -10.846) 12.787 4.524 ( 5.707 -2.095 4.691) 7.679 4.824 ( 2.273 4.625 -1.683) 5.421 4.988 ( -0.694 4.569 -2.390) 5.203 6.056 ( -1.524 3.363 -9.486) 10.179 6.290 ( -3.051 3.491 2.232) 5.145 6.673 ( -5.178 1.106 -7.496) 9.177 7.403 ( 3.990 -6.115 0.795) 7.345 7.505 ( -1.820 2.182 21.206) 21.396 7.690 ( 7.541 -5.195 5.740) 10.808 8.079 ( 9.538 2.059 11.101) 14.780 8.215 ( 11.798 -0.444 6.931) 13.690 8.364 ( -2.676 5.002 12.969) 14.156 8.511 ( -2.466 11.732 13.203) 17.834 8.583 ( -4.357 3.050 14.828) 15.753 8.740 ( 0.323 -7.393 -1.143) 7.488 8.917 ( -2.982 3.078 -11.042) 11.845 9.835 ( -7.293 4.921 -4.054) 9.687 10.094 ( -2.128 -0.940 -3.032) 3.821 10.160 ( 2.429 0.861 -2.365) 3.498 10.534 ( 1.735 -0.849 -0.426) 1.978 10.868 ( -4.099 15.234 -0.571) 15.786 11.178 ( 2.963 -13.929 -1.035) 14.278 11.649 ( -9.977 -8.062 -7.532) 14.875 12.073 ( 2.038 8.205 -0.031) 8.454 12.504 ( 3.477 -5.317 -1.770) 6.595 12.786 ( 0.426 -8.303 -15.117) 17.252 12.998 ( -0.967 -10.727 3.719) 11.395 13.310 ( -2.966 4.669 -3.153) 6.366 13.358 ( 2.048 2.984 -6.265) 7.236 13.694 ( 1.646 4.035 1.999) 4.795 14.192 ( -1.670 -10.761 1.687) 11.020 14.754 ( 9.182 -2.005 7.244) 11.866 15.483 ( -3.266 -11.997 -3.603) 12.945 15.792 ( -2.123 -9.248 4.198) 10.376 16.746 ( -1.143 -12.298 -1.331) 12.423 17.163 ( -2.449 6.590 -0.656) 7.061 17.406 ( -3.741 10.898 -2.596) 11.811 17.536 ( 1.334 17.285 -1.262) 17.383 18.115 ( 11.701 -1.454 -3.767) 12.378 ======================= Grid point 96 (41/205) ======================= q-point: (-0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -24.240 1.876 18.462) 30.527 2.057 ( -23.132 9.983 1.476) 25.237 2.903 ( 7.188 -6.434 1.781) 9.810 3.246 ( -23.991 5.572 -5.427) 25.221 3.516 ( -12.051 5.259 1.945) 13.292 3.539 ( 6.549 3.045 -9.781) 12.159 3.652 ( -0.934 -0.669 -0.062) 1.151 4.138 ( -4.900 0.175 -8.469) 9.786 4.256 ( 2.943 0.603 8.715) 9.218 4.604 ( 2.229 -3.995 0.816) 4.647 4.835 ( -0.915 5.085 -0.203) 5.171 5.042 ( 6.801 3.239 -4.171) 8.610 5.987 ( -1.431 3.414 -7.143) 8.045 6.206 ( -6.314 2.747 0.397) 6.897 6.548 ( -5.439 2.341 -4.178) 7.247 7.441 ( 1.858 -4.767 -4.092) 6.552 7.543 ( -3.443 2.793 18.812) 19.328 7.863 ( 6.435 -4.800 4.206) 9.063 8.261 ( -3.243 7.138 8.310) 11.425 8.417 ( 4.824 -3.398 5.143) 7.828 8.457 ( -3.340 -3.205 13.099) 13.893 8.548 ( 11.371 0.774 15.596) 19.317 8.646 ( 8.588 1.720 16.015) 18.253 8.806 ( 3.481 1.293 -8.463) 9.241 8.830 ( 2.583 1.872 2.567) 4.095 9.667 ( -8.832 -2.230 -2.299) 9.395 10.083 ( 2.761 1.487 -4.883) 5.803 10.215 ( 3.813 1.840 -2.742) 5.044 10.528 ( 0.096 -0.398 0.060) 0.414 10.846 ( 3.004 17.987 -5.231) 18.972 11.240 ( 2.857 -7.741 -4.701) 9.497 11.389 ( -12.904 -12.934 -6.854) 19.513 12.094 ( -1.056 6.360 0.584) 6.474 12.538 ( -5.287 3.422 -2.201) 6.671 12.679 ( 2.687 -0.911 -16.519) 16.761 13.012 ( 0.442 -13.202 1.465) 13.291 13.330 ( 5.696 1.485 -3.104) 6.654 13.391 ( 4.472 -3.424 1.531) 5.836 13.753 ( 4.158 4.161 1.217) 6.006 14.153 ( -2.449 -6.239 4.520) 8.084 15.014 ( 12.812 -5.781 4.582) 14.783 15.353 ( -8.468 -10.593 -4.333) 14.237 15.729 ( -6.469 -9.687 4.041) 12.330 16.687 ( -4.764 -15.002 -2.589) 15.952 17.104 ( -3.044 3.246 -1.484) 4.691 17.327 ( -3.161 5.306 -2.089) 6.520 17.561 ( 2.071 19.640 -1.660) 19.818 18.361 ( 15.064 7.716 -2.281) 17.079 ======================= Grid point 97 (42/205) ======================= q-point: (-0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -26.129 7.920 12.269) 29.933 1.596 ( -27.244 12.331 8.241) 31.020 2.498 ( -41.329 27.330 1.758) 49.579 3.074 ( 6.848 -6.976 2.552) 10.103 3.404 ( -4.494 -4.409 -0.716) 6.336 3.606 ( 1.861 2.569 -2.636) 4.125 3.676 ( 4.323 -0.383 -4.142) 5.999 4.002 ( -3.951 1.385 -9.285) 10.185 4.341 ( 0.599 -2.553 8.455) 8.852 4.656 ( 3.154 -3.128 1.196) 4.600 4.806 ( -1.861 4.236 0.596) 4.665 5.152 ( 5.756 3.985 -5.244) 8.747 5.953 ( -0.237 1.791 -1.747) 2.513 6.065 ( -7.035 2.156 -1.078) 7.436 6.429 ( -5.091 3.001 -2.864) 6.567 7.448 ( 1.236 -5.218 -6.665) 8.554 7.531 ( -5.088 2.478 13.739) 14.859 7.953 ( 1.669 -0.125 0.171) 1.682 8.139 ( -8.470 0.500 -1.458) 8.609 8.417 ( -4.622 -2.585 7.702) 9.347 8.461 ( -1.062 -3.930 11.034) 11.761 8.677 ( -1.910 -3.232 13.392) 13.909 8.936 ( 8.473 0.353 -2.566) 8.860 8.946 ( 11.704 3.436 5.784) 13.500 9.104 ( 19.226 -5.129 13.424) 24.003 9.492 ( -7.680 -2.126 0.230) 7.972 10.165 ( 8.385 1.217 -4.142) 9.431 10.259 ( 1.437 -1.932 -0.098) 2.410 10.591 ( 6.381 2.719 -2.440) 7.352 10.886 ( -0.475 5.719 -0.748) 5.787 11.126 ( -6.538 5.081 -4.214) 9.291 11.279 ( 3.182 -2.181 -5.748) 6.923 11.932 ( -15.914 2.253 -3.656) 16.483 12.396 ( -1.616 14.813 -2.484) 15.106 12.768 ( 7.737 -4.665 -8.385) 12.326 13.009 ( -0.393 -12.584 -2.516) 12.840 13.410 ( 4.450 0.036 0.758) 4.514 13.610 ( 13.461 -9.992 3.884) 17.209 13.861 ( 7.029 3.997 -0.338) 8.093 14.165 ( 1.543 -1.522 7.164) 7.485 15.104 ( -13.396 -11.637 -1.895) 17.845 15.255 ( 7.792 -5.640 0.683) 9.643 15.582 ( -9.765 -10.777 2.688) 14.789 16.497 ( -15.041 -22.718 -3.878) 27.520 17.046 ( -2.127 -0.957 -0.498) 2.385 17.271 ( -1.895 3.011 -1.036) 3.705 17.603 ( 3.172 22.850 -2.647) 23.220 18.671 ( 19.266 18.767 -7.879) 28.026 ======================= Grid point 98 (43/205) ======================= q-point: (-0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -17.966 20.970 11.881) 30.061 1.094 ( -26.857 16.334 12.470) 33.817 1.825 ( -29.501 42.052 17.324) 54.210 3.201 ( 3.806 -8.519 4.966) 10.570 3.305 ( -4.000 -3.013 -4.674) 6.850 3.620 ( 0.962 0.412 -0.206) 1.067 3.755 ( 4.990 0.366 -3.594) 6.160 3.920 ( -0.555 2.023 -7.887) 8.161 4.355 ( -1.981 -4.057 7.074) 8.392 4.724 ( 2.740 -2.558 2.158) 4.326 4.778 ( -1.364 3.780 1.862) 4.429 5.215 ( 4.035 5.088 -3.801) 7.524 5.865 ( -5.934 1.172 -1.634) 6.265 6.061 ( 3.850 1.549 9.865) 10.703 6.344 ( -2.148 3.449 -2.247) 4.643 7.426 ( -0.125 -5.253 -7.519) 9.173 7.490 ( -2.696 0.303 7.600) 8.070 7.914 ( -5.950 -1.955 -3.232) 7.048 7.997 ( -4.548 -0.494 6.023) 7.563 8.356 ( -2.710 -3.039 4.566) 6.118 8.516 ( 0.279 1.327 10.917) 11.001 8.680 ( -4.030 0.929 4.256) 5.935 8.966 ( -0.293 -9.638 -0.659) 9.665 9.152 ( 1.585 0.349 -2.506) 2.985 9.341 ( 3.623 5.454 6.041) 8.909 9.563 ( 13.673 -8.279 7.832) 17.800 10.246 ( 0.762 -7.272 -4.636) 8.658 10.381 ( 7.033 0.016 5.203) 8.748 10.672 ( 1.326 1.993 -2.929) 3.783 10.852 ( 0.437 -4.667 11.931) 12.818 11.031 ( -3.524 3.186 -4.978) 6.881 11.342 ( -3.839 12.678 -5.570) 14.370 11.801 ( 19.751 16.340 7.558) 26.725 12.413 ( 1.921 9.149 0.099) 9.349 12.853 ( 3.699 -7.695 -5.899) 10.378 13.001 ( 2.248 -9.923 -4.206) 11.009 13.523 ( 5.503 -0.811 7.128) 9.042 13.746 ( -2.580 -15.140 1.025) 15.392 14.087 ( 13.181 1.904 4.011) 13.909 14.274 ( 6.695 0.645 4.649) 8.176 14.798 ( -15.587 -8.361 1.909) 17.790 15.313 ( -4.647 -3.169 2.374) 6.105 15.450 ( -1.711 -16.887 -1.388) 17.030 16.029 ( -32.154 -27.335 -1.862) 42.244 17.022 ( -0.598 -3.031 0.441) 3.121 17.243 ( -0.729 2.547 -0.331) 2.670 17.652 ( 3.041 25.042 -3.365) 25.449 18.984 ( 18.293 29.213 -29.471) 45.349 ======================= Grid point 99 (44/205) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -3.043 21.473 17.305) 27.746 1.535 ( 3.761 28.119 10.851) 30.374 2.620 ( 0.992 47.087 7.260) 47.654 2.970 ( -2.072 -14.637 2.111) 14.933 3.147 ( 0.259 -7.701 0.488) 7.721 3.676 ( 2.461 1.238 -1.113) 2.971 3.889 ( 4.419 5.028 -3.648) 7.623 3.918 ( -1.867 2.451 -1.126) 3.280 4.278 ( 1.536 -4.444 2.671) 5.407 4.721 ( 1.277 -2.443 5.874) 6.489 4.820 ( -2.438 2.463 1.637) 3.833 5.283 ( -0.304 -0.556 -6.103) 6.135 5.936 ( 2.694 5.150 3.797) 6.943 6.223 ( 4.213 0.996 11.249) 12.053 6.438 ( 1.952 5.587 1.080) 6.016 7.245 ( 1.242 -9.505 -8.149) 12.582 7.485 ( -2.848 1.634 8.209) 8.842 7.758 ( 0.547 -2.660 1.546) 3.125 8.009 ( -0.723 -2.243 6.511) 6.924 8.294 ( 2.999 -5.306 11.623) 13.124 8.360 ( -12.636 -7.411 -15.607) 21.405 8.562 ( -3.198 -1.305 15.235) 15.622 9.002 ( 6.754 -0.888 14.756) 16.253 9.115 ( -5.355 5.500 -10.232) 12.791 9.458 ( -2.874 -9.827 2.000) 10.432 9.647 ( -1.148 8.843 6.858) 11.249 10.059 ( -2.352 -2.909 -1.217) 3.934 10.448 ( -3.477 3.971 -6.504) 8.376 10.594 ( 4.055 -1.710 8.976) 9.997 10.941 ( 3.854 -5.052 13.773) 15.168 11.162 ( 4.451 1.600 1.238) 4.889 11.569 ( 4.142 13.957 -5.569) 15.588 12.175 ( 5.540 -18.958 1.609) 19.816 12.533 ( 3.221 -2.330 -5.213) 6.556 12.768 ( 1.954 4.719 -2.766) 5.808 13.024 ( 8.072 -2.776 -0.167) 8.538 13.256 ( -12.877 -4.139 11.146) 17.527 13.697 ( 6.356 -2.879 0.790) 7.022 14.203 ( -7.353 3.421 -1.910) 8.331 14.302 ( -1.894 -3.177 -1.815) 4.120 14.574 ( -3.959 -1.222 2.562) 4.871 15.030 ( 1.723 -17.472 -2.343) 17.712 15.189 ( 0.497 -5.439 2.464) 5.992 15.371 ( 1.736 -9.200 -2.989) 9.828 17.054 ( 0.251 5.179 2.174) 5.622 17.296 ( -0.049 2.486 1.896) 3.127 18.190 ( 0.838 23.899 -3.972) 24.242 19.309 ( -2.018 3.431 -26.272) 26.572 ======================= Grid point 100 (45/205) ======================= q-point: ( 0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.293 17.413 19.086) 26.189 1.777 ( 14.854 22.042 11.474) 28.950 2.807 ( 8.325 29.101 8.668) 31.485 2.949 ( 5.275 -4.584 -1.904) 7.244 3.210 ( 4.545 -6.472 6.059) 9.963 3.695 ( -0.319 1.266 -1.959) 2.355 3.832 ( -4.409 4.991 -2.963) 7.289 3.995 ( 7.210 4.975 -2.784) 9.191 4.342 ( 3.492 -5.385 0.770) 6.464 4.721 ( -5.492 3.406 6.771) 9.360 4.796 ( 0.949 -0.997 -0.475) 1.456 5.240 ( -1.262 -0.658 -4.585) 4.801 6.029 ( 4.786 4.216 1.717) 6.605 6.334 ( 1.946 0.430 9.576) 9.781 6.519 ( 5.174 4.300 3.674) 7.665 7.226 ( 0.865 -8.000 -10.677) 13.369 7.449 ( -4.914 1.005 10.229) 11.392 7.897 ( 10.045 -7.401 4.256) 13.183 8.025 ( -5.209 -5.400 -2.378) 7.871 8.075 ( -5.063 2.020 -3.132) 6.287 8.454 ( 4.531 -5.194 14.358) 15.926 8.569 ( -1.458 -1.173 12.906) 13.041 8.862 ( -11.718 2.776 -6.270) 13.577 9.112 ( -11.777 2.348 -3.597) 12.536 9.335 ( 2.288 -5.784 5.737) 8.462 9.586 ( -7.453 11.015 5.496) 14.391 10.029 ( -1.013 -2.504 -0.284) 2.716 10.496 ( 7.316 -1.410 0.071) 7.451 10.666 ( -2.246 0.233 12.299) 12.505 10.991 ( -0.608 -2.117 5.013) 5.476 11.227 ( 1.670 -1.774 5.644) 6.147 11.752 ( 12.748 3.708 -4.003) 13.867 12.145 ( -8.728 -12.294 5.594) 16.081 12.504 ( -3.745 3.815 -9.028) 10.492 12.791 ( 2.731 -2.888 -7.039) 8.084 13.076 ( -8.076 0.315 9.910) 12.788 13.210 ( 8.214 -8.007 7.313) 13.604 13.712 ( -7.092 -4.813 1.919) 8.783 13.989 ( -12.301 3.807 -4.847) 13.759 14.118 ( -9.552 0.068 -2.393) 9.848 14.625 ( 7.294 -3.842 -2.106) 8.509 15.036 ( 0.244 -19.353 -2.552) 19.522 15.276 ( 6.422 -6.074 3.733) 9.596 15.684 ( 25.271 -12.473 -2.752) 28.316 17.087 ( 2.298 5.350 2.726) 6.430 17.313 ( 0.868 2.509 2.169) 3.428 18.152 ( -2.879 22.556 -3.693) 23.037 19.010 ( -14.786 10.722 -25.094) 31.037 ======================= Grid point 101 (46/205) ======================= q-point: ( 0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 7.530 11.724 19.132) 23.668 2.153 ( 18.462 15.944 9.704) 26.253 2.818 ( -4.454 -5.951 6.318) 9.755 3.210 ( 12.983 5.361 -5.521) 15.092 3.373 ( 7.485 -0.253 8.063) 11.005 3.636 ( -4.106 -0.275 -5.369) 6.764 3.786 ( 3.583 13.875 0.265) 14.332 4.154 ( 10.385 4.833 -2.005) 11.628 4.378 ( 0.907 -5.060 -7.783) 9.328 4.618 ( -7.567 8.115 9.045) 14.315 4.822 ( 1.417 -1.391 0.645) 2.087 5.205 ( -1.006 0.110 -1.532) 1.836 6.124 ( 4.972 4.831 -1.095) 7.019 6.382 ( 0.004 0.999 5.084) 5.181 6.658 ( 6.894 2.436 5.266) 9.011 7.180 ( -0.628 -7.010 -12.503) 14.348 7.413 ( -3.695 1.145 13.340) 13.889 7.784 ( -8.484 -2.807 -8.241) 12.157 8.080 ( 1.086 -4.559 3.770) 6.015 8.150 ( 6.376 -0.497 4.657) 7.912 8.413 ( -10.691 0.824 5.626) 12.109 8.570 ( -13.525 1.983 -1.441) 13.745 8.637 ( -2.952 -0.917 11.447) 11.857 8.953 ( 3.276 4.128 3.792) 6.493 9.408 ( -9.824 13.042 5.237) 17.148 9.548 ( 10.750 -2.699 8.584) 14.019 10.006 ( -0.657 -2.591 -2.880) 3.929 10.559 ( -5.605 -3.894 5.147) 8.548 10.652 ( -1.608 2.153 7.025) 7.521 11.011 ( 1.270 -1.553 -0.922) 2.208 11.294 ( 1.097 -5.519 11.069) 12.417 11.846 ( -5.778 -6.080 -0.346) 8.395 12.040 ( 3.074 10.136 -1.562) 10.707 12.382 ( -4.673 -7.567 -5.609) 10.515 12.796 ( -0.751 -8.242 -5.770) 10.089 12.978 ( -5.174 1.099 -3.644) 6.423 13.369 ( 3.171 -4.878 10.211) 11.752 13.535 ( -6.904 -1.848 3.179) 7.822 13.767 ( -7.182 4.199 -5.746) 10.111 14.004 ( -3.052 -0.865 -0.349) 3.191 14.669 ( -1.962 -12.863 -6.138) 14.387 15.106 ( 7.983 -11.199 -1.181) 13.803 15.416 ( 5.645 -7.263 3.731) 9.927 16.131 ( 20.155 -17.318 -2.966) 26.738 17.177 ( 5.708 4.834 3.400) 8.216 17.346 ( 1.816 2.481 1.676) 3.502 18.058 ( -4.908 20.173 -3.111) 20.993 18.603 ( -16.223 13.789 -19.151) 28.637 ======================= Grid point 102 (47/205) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 8.322 6.055 18.544) 21.209 2.542 ( 17.153 11.044 8.004) 21.915 2.741 ( -6.432 -8.245 6.717) 12.429 3.306 ( -3.197 2.318 -1.892) 4.379 3.454 ( 2.609 -2.688 -5.187) 6.398 3.550 ( 0.391 -4.118 -3.316) 5.301 3.970 ( 9.370 10.095 0.990) 13.809 4.296 ( -0.957 -2.202 -7.190) 7.581 4.387 ( 12.206 9.683 -7.980) 17.505 4.528 ( -5.921 6.135 7.258) 11.197 4.862 ( 2.011 2.570 3.357) 4.682 5.176 ( -2.151 0.720 0.279) 2.286 6.201 ( 3.602 5.463 -3.534) 7.437 6.391 ( -0.275 2.580 2.137) 3.361 6.811 ( 5.867 -0.247 4.273) 7.262 7.080 ( -3.641 -6.123 -11.851) 13.827 7.432 ( -1.638 1.805 18.264) 18.426 7.651 ( -2.860 0.090 -3.139) 4.248 7.983 ( -7.117 -0.649 -6.732) 9.818 8.147 ( -5.131 -2.726 -2.311) 6.253 8.316 ( -2.947 2.296 15.420) 15.866 8.476 ( -1.054 2.876 15.832) 16.125 8.653 ( 0.317 0.648 8.289) 8.321 9.061 ( 3.472 5.144 1.562) 6.399 9.223 ( -10.639 19.965 5.989) 23.402 9.864 ( 15.036 -7.323 10.643) 19.824 9.984 ( 1.784 -2.835 -7.525) 8.236 10.421 ( -9.440 -0.500 5.526) 10.950 10.573 ( -8.212 6.043 -0.556) 10.211 11.001 ( -2.470 -6.552 -1.177) 7.100 11.298 ( -5.980 0.717 7.934) 9.961 11.763 ( -0.576 -3.051 2.664) 4.091 12.118 ( 4.352 6.856 -6.599) 10.464 12.289 ( -3.263 -15.549 -0.095) 15.888 12.636 ( -9.517 -7.257 -9.809) 15.474 12.908 ( -0.348 -6.232 -4.764) 7.852 13.395 ( -0.891 0.749 0.391) 1.227 13.556 ( 4.297 3.487 2.431) 6.044 13.668 ( -2.448 1.597 0.616) 2.987 13.957 ( -2.213 -5.873 -0.441) 6.292 14.575 ( -3.292 -11.608 -4.032) 12.722 15.262 ( 7.423 -6.133 -1.173) 9.700 15.511 ( 2.522 -9.230 3.487) 10.184 16.402 ( 9.605 -15.749 -2.519) 18.618 17.299 ( 2.876 4.247 3.980) 6.493 17.430 ( 8.204 0.627 0.233) 8.231 17.953 ( -4.229 17.927 -2.794) 18.630 18.245 ( -13.173 12.316 -13.592) 22.582 ======================= Grid point 103 (48/205) ======================= q-point: ( 0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 4.390 1.984 20.007) 20.579 2.635 ( -6.334 -5.288 5.252) 9.781 2.822 ( 4.789 4.439 3.441) 7.381 3.161 ( -4.212 3.557 -3.878) 6.740 3.457 ( 1.242 -4.639 -3.790) 6.118 3.628 ( 4.490 -2.947 -0.233) 5.375 4.034 ( 0.744 2.702 -4.748) 5.514 4.277 ( 1.058 3.841 -4.905) 6.319 4.431 ( -5.441 0.941 0.174) 5.524 4.579 ( 8.865 9.811 -7.701) 15.302 4.917 ( 1.288 7.063 4.599) 8.526 5.111 ( -4.630 0.470 -0.153) 4.656 6.215 ( 0.050 6.218 -6.534) 9.020 6.397 ( -0.326 4.263 2.329) 4.869 6.814 ( -4.393 -0.287 -7.415) 8.623 7.079 ( 6.444 -7.586 3.289) 10.483 7.492 ( -1.403 2.707 21.216) 21.434 7.615 ( 0.060 0.730 -2.616) 2.717 7.942 ( 4.268 1.529 3.118) 5.503 8.074 ( -0.014 -1.270 0.935) 1.577 8.357 ( -1.681 0.255 18.198) 18.277 8.516 ( -3.565 -1.318 21.419) 21.753 8.693 ( -0.483 2.761 3.091) 4.173 9.073 ( -6.702 24.282 4.283) 25.551 9.086 ( -0.078 6.551 -3.774) 7.561 9.904 ( -4.407 -6.371 -6.141) 9.886 10.242 ( 12.910 -3.140 6.616) 14.843 10.287 ( -3.358 0.910 2.380) 4.215 10.390 ( -6.908 8.994 -6.839) 13.243 10.893 ( -8.378 -13.076 3.125) 15.841 11.199 ( -4.778 7.871 0.814) 9.244 11.746 ( -4.593 -4.516 -2.904) 7.066 12.137 ( 1.716 3.725 -4.594) 6.159 12.272 ( 1.027 -12.150 3.668) 12.733 12.510 ( 2.664 -11.581 -11.980) 16.874 12.870 ( -2.699 -6.088 0.228) 6.664 13.386 ( 1.507 0.535 -6.235) 6.437 13.551 ( -5.073 4.269 -6.200) 9.077 13.703 ( 3.543 0.124 4.306) 5.578 13.919 ( -0.796 -11.219 0.114) 11.247 14.558 ( 2.238 -4.960 2.837) 6.137 15.359 ( 3.057 -1.827 -1.714) 3.953 15.548 ( -0.155 -12.456 3.642) 12.978 16.504 ( 2.670 -13.159 -2.106) 13.592 17.316 ( -1.358 4.718 1.753) 5.213 17.603 ( 5.159 -2.072 -0.515) 5.583 17.891 ( 0.021 17.538 -3.639) 17.911 18.019 ( -3.089 9.347 -6.858) 11.998 ======================= Grid point 104 (49/205) ======================= q-point: (-0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -9.706 1.607 22.325) 24.397 2.575 ( -3.814 1.882 0.312) 4.264 2.690 ( -9.162 -0.415 -1.138) 9.242 3.210 ( 3.879 -4.103 -0.429) 5.663 3.502 ( 5.237 0.168 -3.398) 6.245 3.655 ( -0.450 -0.650 -1.095) 1.350 4.068 ( 3.586 4.392 -5.112) 7.634 4.215 ( -6.514 8.655 0.915) 10.871 4.296 ( -6.834 -4.833 -9.695) 12.808 4.639 ( -0.599 10.476 -0.502) 10.505 4.957 ( 1.970 6.484 1.691) 6.985 5.019 ( -3.019 -1.472 -2.334) 4.090 6.161 ( -1.595 6.884 -8.454) 11.018 6.378 ( -3.350 4.572 2.685) 6.272 6.704 ( -4.060 1.723 -3.880) 5.874 7.222 ( 5.417 -10.517 0.960) 11.870 7.560 ( -1.209 3.045 20.890) 21.146 7.660 ( 5.525 0.958 1.397) 5.779 8.101 ( 8.224 0.384 10.435) 13.291 8.200 ( 10.435 -1.124 6.940) 12.582 8.389 ( -3.215 0.031 17.414) 17.708 8.537 ( -4.420 -2.734 21.862) 22.471 8.626 ( -5.981 2.618 0.182) 6.531 9.008 ( -2.356 14.498 -4.597) 15.391 9.044 ( -0.960 17.510 -0.182) 17.537 9.720 ( -10.492 -9.470 -8.014) 16.247 10.196 ( -3.109 4.602 -1.892) 5.867 10.334 ( 3.871 11.573 -4.852) 13.133 10.459 ( 0.449 -5.345 6.051) 8.086 10.813 ( 2.906 -14.143 0.857) 14.464 11.122 ( -3.637 3.642 -2.143) 5.576 11.558 ( -9.205 -1.241 -10.720) 14.184 12.188 ( 3.393 -0.312 0.502) 3.444 12.355 ( 5.332 -4.509 3.451) 7.790 12.576 ( 7.731 -11.200 -10.943) 17.463 12.826 ( -1.588 -5.173 1.101) 5.522 13.362 ( -4.936 -1.891 -7.580) 9.241 13.402 ( -1.977 1.337 -7.585) 7.952 13.759 ( 1.527 1.971 1.949) 3.164 13.946 ( 2.569 -10.742 1.520) 11.149 14.670 ( 6.318 -4.636 7.118) 10.586 15.357 ( -2.333 1.259 -2.286) 3.500 15.542 ( -2.202 -14.427 3.658) 15.046 16.499 ( -2.242 -13.093 -2.432) 13.505 17.274 ( -3.344 4.826 -0.377) 5.883 17.537 ( -7.264 1.108 -3.232) 8.027 17.901 ( 2.161 16.515 -2.257) 16.808 18.160 ( 16.240 6.055 -1.657) 17.411 ======================= Grid point 105 (50/205) ======================= q-point: (-0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -18.375 6.388 18.038) 26.530 2.298 ( -18.226 13.126 -1.970) 22.547 2.735 ( 5.475 -9.481 5.359) 12.190 3.215 ( -2.401 -6.758 -0.939) 7.233 3.569 ( 0.548 3.025 -7.250) 7.875 3.655 ( 1.224 3.656 -2.758) 4.740 3.870 ( -16.771 18.270 -5.154) 25.330 4.132 ( -4.689 1.082 -5.342) 7.190 4.213 ( 2.189 -4.254 1.529) 5.022 4.615 ( -0.735 4.677 1.536) 4.978 4.925 ( -3.860 2.189 2.657) 5.172 5.075 ( 7.071 0.207 -3.675) 7.972 6.096 ( -1.443 7.239 -7.314) 10.392 6.284 ( -7.245 4.509 1.665) 8.695 6.609 ( -4.998 3.155 -1.091) 6.011 7.280 ( 1.896 -10.758 -3.934) 11.611 7.613 ( -2.733 3.745 18.310) 18.887 7.813 ( 7.630 -0.900 4.094) 8.705 8.305 ( 0.498 -5.236 6.935) 8.705 8.328 ( -5.879 1.777 8.891) 10.806 8.408 ( 2.431 0.478 12.242) 12.490 8.548 ( 0.914 -1.034 11.954) 12.034 8.638 ( 7.299 -1.908 15.004) 16.794 8.919 ( -1.384 6.238 -5.580) 8.483 9.089 ( 4.292 19.670 -0.462) 20.138 9.497 ( -8.116 -9.975 -3.488) 13.324 10.157 ( 0.815 3.135 -5.605) 6.473 10.340 ( -7.883 2.586 8.455) 11.845 10.491 ( 8.923 1.644 -4.290) 10.036 10.938 ( 4.217 -8.601 -3.900) 10.342 11.018 ( -4.423 -6.825 -2.181) 8.420 11.408 ( 1.060 7.361 -11.279) 13.510 12.200 ( -4.077 3.387 0.569) 5.330 12.485 ( 6.580 -4.647 2.644) 8.478 12.666 ( 4.896 -3.551 -9.655) 11.393 12.818 ( 1.093 -3.602 -4.007) 5.498 13.255 ( -0.548 -6.822 -1.025) 6.920 13.368 ( 1.049 -1.154 -7.186) 7.353 13.815 ( 3.862 1.932 1.077) 4.451 14.013 ( 3.528 -6.237 3.371) 7.919 14.825 ( 5.479 -9.731 6.987) 13.173 15.256 ( -6.719 1.120 -2.318) 7.195 15.485 ( -5.368 -12.809 2.761) 14.160 16.382 ( -9.191 -15.641 -3.608) 18.497 17.186 ( -5.057 4.788 -1.392) 7.102 17.402 ( -5.064 2.258 -0.772) 5.598 17.963 ( 5.079 18.421 -2.354) 19.252 18.519 ( 21.101 6.215 -2.321) 22.119 ======================= Grid point 106 (51/205) ======================= q-point: (-0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -17.725 13.640 15.136) 27.006 1.919 ( -20.285 18.586 0.224) 27.513 2.861 ( 4.414 -11.450 6.820) 14.039 3.090 ( -13.997 16.251 -0.019) 21.448 3.313 ( -12.807 3.259 -5.697) 14.391 3.675 ( 2.540 5.002 -10.505) 11.909 3.738 ( 0.267 5.885 3.155) 6.682 4.027 ( -3.426 2.177 -5.392) 6.749 4.254 ( 0.632 -5.431 2.900) 6.190 4.634 ( 1.556 1.043 1.627) 2.481 4.875 ( -2.742 1.394 3.684) 4.799 5.197 ( 6.626 -0.263 -3.260) 7.389 6.035 ( -3.216 6.257 -3.711) 7.953 6.144 ( -6.177 5.198 1.388) 8.192 6.506 ( -4.875 4.130 -0.511) 6.410 7.282 ( 0.835 -10.958 -6.248) 12.642 7.601 ( -5.449 4.266 12.167) 13.997 7.933 ( 1.452 -2.584 2.365) 3.792 8.094 ( -10.567 -1.555 0.951) 10.723 8.354 ( -5.009 -2.341 1.918) 5.852 8.466 ( 0.741 3.326 18.061) 18.380 8.592 ( -0.729 -4.125 18.448) 18.918 8.845 ( -1.453 -9.810 -5.173) 11.185 9.008 ( 14.297 -1.034 3.085) 14.662 9.194 ( 7.171 13.047 2.275) 15.060 9.450 ( 2.352 0.880 5.941) 6.450 10.195 ( 5.450 0.442 -6.580) 8.555 10.223 ( -5.508 -3.217 8.599) 10.706 10.658 ( 6.898 5.640 0.689) 8.937 10.838 ( -5.433 -2.210 -2.719) 6.465 11.007 ( -0.166 -10.458 -4.397) 11.346 11.523 ( 13.956 9.744 -10.078) 19.781 12.028 ( -12.158 6.114 -0.902) 13.638 12.590 ( 1.353 -8.004 -4.421) 9.244 12.667 ( 1.659 9.660 -0.858) 9.839 12.850 ( 4.512 -3.260 -7.657) 9.467 13.284 ( 1.252 -12.365 4.199) 13.119 13.454 ( 9.841 -3.872 -4.536) 11.507 13.921 ( 7.431 1.947 0.711) 7.715 14.124 ( 6.002 -2.497 5.363) 8.427 14.881 ( -4.419 -9.375 3.261) 10.865 15.123 ( -4.298 -5.368 -0.462) 6.892 15.359 ( -8.347 -9.464 1.347) 12.691 16.094 ( -18.934 -17.613 -4.514) 26.251 17.096 ( -3.450 5.133 0.061) 6.185 17.332 ( -2.592 2.552 0.608) 3.688 18.063 ( 6.138 21.344 -3.093) 22.423 18.926 ( 22.507 5.629 -7.099) 24.262 ======================= Grid point 107 (52/205) ======================= q-point: (-0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -13.288 19.104 16.125) 28.312 1.582 ( -12.613 27.247 3.620) 30.242 2.748 ( -15.703 43.002 3.107) 45.885 2.953 ( 1.908 -14.558 5.693) 15.748 3.186 ( -3.092 -8.681 -1.625) 9.357 3.650 ( 0.732 2.521 -5.489) 6.084 3.808 ( 4.656 4.469 -0.613) 6.483 3.959 ( -1.485 2.732 -4.067) 5.120 4.263 ( -0.702 -4.594 3.139) 5.608 4.673 ( 1.359 -1.559 3.165) 3.781 4.848 ( -1.963 1.794 3.791) 4.631 5.281 ( 3.435 -0.090 -4.725) 5.842 5.937 ( -4.196 5.765 1.010) 7.201 6.120 ( 1.506 3.960 5.866) 7.236 6.436 ( -1.865 5.252 -0.288) 5.580 7.262 ( 0.393 -10.612 -7.195) 12.827 7.528 ( -5.362 3.558 6.644) 9.249 7.836 ( -7.464 -3.080 0.180) 8.077 8.015 ( -2.373 -0.744 6.013) 6.506 8.265 ( -3.628 -4.174 5.290) 7.653 8.539 ( -2.072 -0.444 15.534) 15.678 8.658 ( -9.767 -9.135 -13.549) 19.037 8.754 ( 7.854 -2.507 19.493) 21.165 9.210 ( 2.685 0.228 -4.158) 4.955 9.364 ( 8.574 -0.308 1.792) 8.765 9.558 ( 4.375 7.933 10.915) 14.185 10.125 ( -3.688 -3.274 -1.390) 5.123 10.402 ( 10.432 -0.211 7.538) 12.872 10.664 ( -8.307 -2.103 -9.108) 12.505 10.779 ( 2.172 -1.298 12.754) 13.003 11.048 ( 6.742 0.866 -3.697) 7.738 11.650 ( -3.680 12.950 -9.658) 16.569 11.944 ( 11.193 -2.734 1.961) 11.688 12.536 ( -1.563 -2.953 -5.171) 6.156 12.731 ( 2.613 4.703 0.999) 5.473 12.912 ( 5.538 -0.292 -6.720) 8.713 13.341 ( -0.332 -12.300 10.211) 15.990 13.585 ( 5.532 -3.068 -5.263) 8.229 14.132 ( 12.546 1.114 1.857) 12.731 14.260 ( 4.468 -1.374 3.228) 5.681 14.704 ( -11.203 -1.259 1.771) 11.412 15.073 ( -3.221 -17.068 -1.183) 17.410 15.220 ( -4.899 -5.581 1.244) 7.530 15.650 ( -22.895 -14.260 -3.868) 27.249 17.056 ( -1.266 5.147 1.423) 5.489 17.300 ( -1.186 2.518 1.323) 3.082 18.154 ( 4.451 23.486 -3.741) 24.195 19.264 ( 15.887 2.397 -17.194) 23.532 ======================= Grid point 108 (53/205) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -3.118 21.034 11.515) 24.181 2.075 ( 0.754 23.240 4.278) 23.642 2.629 ( -0.007 -16.577 6.497) 17.805 2.925 ( 0.621 -12.774 0.318) 12.793 3.413 ( 2.030 24.164 -1.808) 24.316 3.689 ( 2.539 -0.111 -4.864) 5.488 3.987 ( 3.167 4.428 0.821) 5.505 4.063 ( -0.728 11.881 -0.332) 11.908 4.202 ( 0.371 -0.995 1.699) 2.004 4.662 ( 1.034 -4.522 2.255) 5.158 4.868 ( -1.071 3.382 5.006) 6.135 5.199 ( -0.439 -8.011 -0.288) 8.029 6.062 ( 1.498 6.540 3.390) 7.518 6.233 ( 2.763 -0.652 6.127) 6.753 6.574 ( 1.588 7.884 1.086) 8.115 7.016 ( 1.598 -12.217 -4.148) 13.001 7.577 ( -3.492 6.771 3.501) 8.384 7.727 ( -1.797 -0.206 -0.769) 1.966 7.910 ( 0.108 -5.517 0.697) 5.562 8.089 ( -0.726 -12.481 -0.808) 12.528 8.333 ( -4.724 2.666 9.030) 10.534 8.506 ( -3.826 -3.920 16.270) 17.167 9.005 ( 0.762 0.679 14.372) 14.408 9.132 ( 1.374 -4.868 5.384) 7.387 9.417 ( -6.867 7.516 -5.037) 11.359 9.730 ( -3.199 -2.020 -2.293) 4.424 10.138 ( 0.088 9.247 6.507) 11.308 10.526 ( 2.719 0.299 2.180) 3.498 10.573 ( 2.158 1.433 3.751) 4.558 10.841 ( 2.777 -3.677 6.374) 7.865 11.166 ( 1.239 1.140 0.004) 1.684 11.636 ( 0.349 -14.450 -6.837) 15.989 11.988 ( 2.459 8.257 1.368) 8.723 12.410 ( 2.060 -8.077 -7.170) 10.995 12.864 ( 3.023 3.192 7.445) 8.646 13.007 ( 2.499 -1.420 -1.362) 3.181 13.280 ( -3.253 6.367 0.075) 7.150 13.602 ( 4.376 -6.238 -3.104) 8.228 14.231 ( -5.313 -0.547 -2.431) 5.868 14.256 ( -2.270 -1.349 -0.914) 2.794 14.596 ( -2.680 3.029 -0.677) 4.101 14.759 ( -1.517 -7.910 -2.414) 8.408 15.076 ( 1.268 -4.807 0.331) 4.983 15.178 ( 3.769 -9.139 -2.955) 10.319 17.182 ( 0.062 6.332 3.026) 7.018 17.325 ( -0.257 -0.006 3.041) 3.052 18.642 ( 0.546 20.005 -5.704) 20.809 19.242 ( -0.566 -8.304 -14.446) 16.673 ======================= Grid point 109 (54/205) ======================= q-point: ( 0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.756 17.929 12.322) 21.768 2.173 ( 6.623 13.516 4.842) 15.811 2.674 ( 1.451 -9.020 8.246) 12.307 2.993 ( 5.886 -10.096 1.628) 11.800 3.465 ( 2.724 16.895 -1.758) 17.203 3.702 ( 0.028 -0.530 -4.902) 4.931 4.065 ( 4.961 6.347 3.162) 8.654 4.075 ( 2.674 14.777 -2.463) 15.217 4.242 ( 3.204 -4.146 -0.173) 5.243 4.702 ( 2.205 -6.128 1.235) 6.628 4.853 ( -2.869 6.882 4.982) 8.968 5.181 ( -0.867 -5.512 0.028) 5.580 6.139 ( 4.315 5.974 3.064) 7.981 6.322 ( 3.105 -1.899 5.468) 6.569 6.630 ( 3.327 6.824 2.990) 8.159 7.027 ( 1.301 -10.908 -5.151) 12.133 7.513 ( -4.359 4.506 3.704) 7.282 7.733 ( 0.374 -6.744 -3.229) 7.486 7.977 ( 6.920 -0.262 2.975) 7.537 8.085 ( 0.556 -1.514 -2.475) 2.954 8.388 ( 4.127 -1.014 16.784) 17.313 8.501 ( -2.936 -4.502 14.106) 15.095 8.899 ( -12.187 2.062 1.809) 12.492 9.125 ( -11.559 -6.543 3.952) 13.858 9.315 ( 3.111 8.584 2.112) 9.372 9.660 ( -2.087 -3.312 0.408) 3.936 10.135 ( -3.978 10.873 6.499) 13.276 10.546 ( -0.852 0.824 1.142) 1.646 10.655 ( 2.291 1.768 9.645) 10.070 10.918 ( 2.524 -2.408 5.358) 6.393 11.165 ( -0.972 -2.595 2.365) 3.643 11.604 ( -1.076 -17.528 -4.123) 18.038 12.071 ( 4.937 6.706 0.478) 8.341 12.437 ( 3.329 -8.547 -6.861) 11.455 12.894 ( -5.339 8.774 -7.077) 12.473 13.097 ( 6.394 -3.755 5.315) 9.123 13.149 ( -6.835 6.455 6.431) 11.390 13.574 ( -6.750 -9.184 -0.343) 11.403 14.027 ( -11.743 0.911 -4.126) 12.480 14.104 ( -8.780 -1.956 -2.305) 9.286 14.609 ( 0.927 1.295 -4.254) 4.542 14.754 ( 5.274 -7.466 -3.776) 9.890 15.177 ( 8.072 -2.274 1.389) 8.500 15.436 ( 19.299 -11.756 -2.249) 22.709 17.213 ( 1.780 6.069 3.508) 7.232 17.344 ( 0.801 0.193 3.318) 3.419 18.573 ( -4.856 18.205 -5.841) 19.727 19.060 ( -10.657 -4.055 -15.258) 19.048 ======================= Grid point 110 (55/205) ======================= q-point: ( 0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 2.890 13.255 13.633) 19.233 2.337 ( 6.995 -1.779 6.128) 9.469 2.757 ( 3.055 4.825 9.873) 11.406 3.146 ( 7.872 -7.575 4.044) 11.649 3.463 ( -0.744 5.269 -5.891) 7.938 3.631 ( -4.704 -1.037 -6.676) 8.232 4.123 ( 3.109 9.118 -4.069) 10.457 4.217 ( 6.731 9.445 4.462) 12.427 4.323 ( 8.258 -1.193 -7.026) 10.908 4.730 ( -0.684 -4.405 -5.341) 6.957 4.838 ( 0.249 9.510 11.712) 15.089 5.173 ( -0.550 -3.612 1.802) 4.074 6.237 ( 4.775 5.696 0.537) 7.452 6.388 ( 2.087 -0.863 2.435) 3.321 6.722 ( 4.336 4.223 3.975) 7.241 7.013 ( -0.244 -8.815 -6.575) 11.000 7.468 ( -2.317 3.920 6.727) 8.123 7.684 ( -2.745 -5.872 -2.752) 7.042 8.068 ( -0.474 2.196 -2.679) 3.496 8.146 ( 3.496 -0.403 1.924) 4.010 8.426 ( -6.499 1.071 11.756) 13.475 8.558 ( -5.239 -3.832 13.975) 15.408 8.685 ( -5.082 6.444 5.314) 9.777 9.012 ( 4.945 -1.735 4.062) 6.631 9.410 ( 3.072 -0.404 6.025) 6.775 9.657 ( 0.357 1.702 5.542) 5.808 10.048 ( -6.195 7.637 1.031) 9.887 10.476 ( -7.074 -5.762 5.157) 10.481 10.754 ( 2.977 8.515 6.034) 10.853 10.965 ( -0.422 1.297 3.079) 3.367 11.180 ( 0.658 -6.698 8.500) 10.842 11.564 ( -1.358 -18.747 -0.801) 18.813 12.157 ( 3.334 3.920 -1.173) 5.278 12.442 ( -1.343 -0.082 -8.400) 8.507 12.634 ( -11.826 3.106 -10.803) 16.316 13.006 ( -9.439 -1.193 -7.601) 12.178 13.294 ( 6.449 -1.951 12.072) 13.825 13.452 ( -3.335 -6.270 6.233) 9.449 13.820 ( -7.308 1.789 -5.172) 9.130 13.946 ( -6.908 -4.764 -2.077) 8.644 14.564 ( -1.429 2.798 -5.363) 6.216 14.913 ( 10.228 -9.032 -2.813) 13.932 15.344 ( 7.947 1.877 0.687) 8.195 15.793 ( 17.618 -15.812 -3.069) 23.871 17.283 ( 3.870 4.993 3.759) 7.351 17.382 ( 1.605 0.611 2.931) 3.397 18.423 ( -7.588 15.081 -5.199) 17.664 18.745 ( -14.588 0.820 -13.021) 19.571 ======================= Grid point 111 (56/205) ======================= q-point: ( 0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 4.009 8.762 15.123) 17.932 2.457 ( 1.308 -11.577 9.254) 14.879 2.876 ( 5.046 13.370 7.461) 16.121 3.265 ( -0.282 -4.759 5.842) 7.540 3.452 ( 4.199 -0.408 -7.807) 8.874 3.484 ( -5.622 -1.743 -6.194) 8.544 4.143 ( 1.416 6.457 -6.685) 9.401 4.300 ( 2.885 2.154 -1.269) 3.817 4.510 ( 11.978 2.997 -9.861) 15.802 4.633 ( -4.927 2.144 -6.065) 8.103 4.954 ( 4.474 6.595 10.973) 13.562 5.163 ( -1.933 -1.880 2.708) 3.821 6.318 ( 3.655 5.654 -1.684) 6.940 6.434 ( 2.042 0.987 1.118) 2.529 6.815 ( 3.359 0.883 2.520) 4.291 6.955 ( -2.401 -5.722 -6.919) 9.294 7.489 ( -0.050 3.627 12.211) 12.738 7.636 ( -1.428 -2.014 0.185) 2.476 7.995 ( -4.265 1.662 -5.374) 7.059 8.088 ( -4.903 -2.638 -3.094) 6.370 8.358 ( -5.715 1.939 17.961) 18.948 8.475 ( -6.961 -2.951 20.260) 21.624 8.783 ( 7.022 12.038 6.411) 15.340 9.203 ( 7.169 7.432 1.944) 10.508 9.484 ( 1.406 -3.755 6.925) 8.002 9.745 ( 6.835 2.886 8.134) 11.009 9.927 ( -4.659 -1.311 -6.268) 7.920 10.351 ( -7.504 -6.333 4.528) 10.813 10.766 ( -4.138 11.904 3.753) 13.150 10.917 ( -5.687 2.619 2.820) 6.866 11.254 ( 1.907 -5.877 8.083) 10.174 11.571 ( 2.111 -16.457 1.055) 16.626 12.101 ( -8.752 -1.053 -3.508) 9.487 12.348 ( -0.038 13.978 -10.442) 17.447 12.420 ( -8.636 -12.033 -6.824) 16.307 12.813 ( -3.034 -5.095 -9.885) 11.527 13.382 ( -0.515 -1.311 4.146) 4.379 13.513 ( 3.027 -5.901 8.417) 10.716 13.701 ( -3.068 1.739 -4.779) 5.939 13.819 ( -4.640 -6.315 -2.015) 8.092 14.544 ( 1.459 7.505 -2.840) 8.156 15.080 ( 7.561 -12.963 -0.872) 15.032 15.470 ( 4.894 6.512 -0.585) 8.167 16.058 ( 11.115 -17.576 -3.486) 21.086 17.377 ( 2.833 3.271 3.899) 5.824 17.438 ( 4.067 0.155 1.421) 4.311 18.262 ( -6.330 11.802 -4.259) 14.053 18.423 ( -12.843 4.512 -9.549) 16.628 ======================= Grid point 112 (57/205) ======================= q-point: ( 0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 2.044 5.146 17.273) 18.138 2.471 ( -3.355 -9.120 10.000) 13.944 2.966 ( -0.269 7.589 1.290) 7.703 3.178 ( -6.831 -1.872 -1.698) 7.283 3.417 ( 2.980 0.826 -0.945) 3.234 3.560 ( 5.442 -3.813 -0.907) 6.706 4.137 ( 1.925 6.837 -8.784) 11.297 4.335 ( 0.522 0.321 -1.441) 1.566 4.468 ( -4.608 4.062 -12.240) 13.695 4.703 ( 9.614 0.279 -8.349) 12.737 5.039 ( -1.054 4.502 5.721) 7.356 5.116 ( -3.864 0.910 3.655) 5.396 6.352 ( 0.855 6.691 -3.551) 7.623 6.470 ( 0.683 2.191 1.553) 2.771 6.813 ( -3.069 0.370 -4.262) 5.265 6.939 ( 3.009 -5.966 0.340) 6.690 7.552 ( 0.075 3.022 15.332) 15.628 7.628 ( 0.635 0.015 0.428) 0.766 7.975 ( 3.406 1.396 4.427) 5.758 8.032 ( 0.712 -2.142 1.789) 2.880 8.365 ( -2.997 0.591 19.891) 20.125 8.455 ( -4.928 -3.648 21.675) 22.526 8.884 ( -0.572 14.582 3.426) 14.990 9.267 ( 0.837 11.928 -1.470) 12.047 9.491 ( -2.712 7.710 3.560) 8.914 9.760 ( -8.107 -4.071 -5.808) 10.772 10.011 ( 12.784 -12.355 2.634) 17.973 10.255 ( -3.933 -5.160 4.435) 7.858 10.671 ( -4.620 13.396 -0.150) 14.171 10.789 ( -8.304 4.445 3.252) 9.965 11.257 ( -4.388 -1.287 0.009) 4.573 11.597 ( -1.623 -12.335 -2.450) 12.680 11.979 ( -0.761 -6.896 -0.457) 6.953 12.181 ( -3.311 -8.804 -5.226) 10.760 12.434 ( 6.479 7.572 -8.609) 13.169 12.773 ( 0.353 -4.501 -4.207) 6.171 13.354 ( -2.060 -2.717 -3.882) 5.167 13.499 ( -6.299 -7.663 -2.116) 10.143 13.692 ( 3.564 0.970 0.121) 3.696 13.778 ( -0.217 -3.940 2.308) 4.571 14.592 ( 3.456 8.500 1.377) 9.278 15.188 ( 3.570 -15.623 1.276) 16.076 15.525 ( 1.348 10.475 -1.836) 10.719 16.188 ( 4.046 -17.489 -3.544) 18.298 17.404 ( -0.882 3.774 2.066) 4.392 17.530 ( 2.898 -3.369 0.384) 4.460 18.172 ( -0.403 9.548 -3.752) 10.267 18.210 ( -4.506 7.198 -5.214) 9.965 ======================= Grid point 113 (58/205) ======================= q-point: (-0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -6.503 4.395 19.117) 20.665 2.469 ( -0.063 -7.589 8.442) 11.352 2.823 ( -11.197 8.305 -3.833) 14.458 3.099 ( -1.638 -5.862 -3.052) 6.809 3.539 ( 7.513 2.691 1.832) 8.188 3.637 ( 3.158 -1.336 0.699) 3.499 4.138 ( 1.747 2.607 -8.730) 9.277 4.221 ( -7.931 -2.307 -11.527) 14.180 4.422 ( 1.974 10.875 -4.833) 12.063 4.814 ( 4.036 0.627 -6.766) 7.903 4.950 ( -7.147 0.943 1.988) 7.478 5.069 ( -3.452 2.577 4.821) 6.466 6.324 ( -1.358 8.306 -5.169) 9.877 6.457 ( -3.057 2.639 1.935) 4.478 6.740 ( -3.054 1.980 -1.633) 3.990 7.002 ( 2.803 -10.503 -0.905) 10.909 7.623 ( 0.187 2.976 15.855) 16.133 7.684 ( 4.509 0.653 2.952) 5.429 8.104 ( 6.773 0.417 8.701) 11.034 8.171 ( 9.893 -1.724 8.813) 13.361 8.394 ( -3.210 0.588 19.381) 19.654 8.475 ( -2.489 -3.068 21.442) 21.803 8.779 ( -10.150 11.914 -0.234) 15.653 9.222 ( -5.953 10.004 -5.362) 12.817 9.436 ( -4.008 3.312 1.942) 5.550 9.542 ( -8.422 2.046 -7.436) 11.420 10.201 ( 1.461 -10.586 6.379) 12.445 10.221 ( 0.584 -4.749 -0.565) 4.818 10.647 ( -0.423 12.850 0.989) 12.895 10.689 ( 1.932 2.932 -1.621) 3.867 11.112 ( -8.120 -1.864 -5.721) 10.106 11.475 ( -6.053 -9.836 -7.300) 13.663 12.057 ( 7.279 -4.951 2.875) 9.261 12.272 ( 11.372 -11.188 -1.774) 16.051 12.516 ( 4.626 8.572 -5.852) 11.364 12.775 ( 1.815 -1.016 -2.034) 2.909 13.257 ( -5.643 -5.835 -8.538) 11.781 13.362 ( -4.464 -5.478 -6.221) 9.414 13.770 ( 3.245 -0.311 1.896) 3.771 13.814 ( 2.996 -2.835 3.442) 5.372 14.671 ( 3.063 6.140 4.627) 8.276 15.224 ( -1.052 -16.203 3.045) 16.520 15.506 ( -2.162 12.072 -3.076) 12.644 16.183 ( -2.932 -17.477 -3.845) 18.133 17.369 ( -3.204 4.387 0.347) 5.444 17.509 ( -4.150 -2.494 -0.495) 4.867 18.178 ( 3.819 10.153 -2.978) 11.249 18.287 ( 12.101 4.526 -2.310) 13.124 ======================= Grid point 114 (59/205) ======================= q-point: (-0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -11.049 8.917 16.402) 21.694 2.509 ( -3.309 -7.472 9.373) 12.436 2.593 ( -7.901 10.215 -3.962) 13.508 3.048 ( -2.437 -9.053 -2.404) 9.678 3.634 ( 1.820 3.359 -3.544) 5.211 3.732 ( 5.714 2.237 2.595) 6.662 3.996 ( -8.281 -0.443 -16.571) 18.530 4.125 ( 0.530 -3.812 -6.473) 7.531 4.403 ( -4.088 18.861 -0.350) 19.302 4.743 ( -6.144 6.927 1.552) 9.388 4.890 ( -1.391 -4.654 -1.370) 5.047 5.058 ( 1.173 -2.732 3.503) 4.595 6.267 ( -2.198 8.568 -4.951) 10.136 6.370 ( -6.463 3.397 1.661) 7.487 6.669 ( -3.982 3.149 -0.222) 5.082 7.028 ( 1.002 -12.935 -3.320) 13.392 7.690 ( -0.671 3.758 14.659) 15.148 7.803 ( 5.150 -0.724 5.061) 7.257 8.266 ( 1.553 1.176 8.396) 8.619 8.370 ( -3.069 0.970 12.872) 13.268 8.423 ( 4.842 0.694 13.201) 14.078 8.563 ( -6.489 2.839 3.057) 7.714 8.579 ( 2.478 -2.089 16.926) 17.233 8.956 ( -13.921 -5.811 -9.857) 18.020 9.398 ( -0.045 3.448 4.257) 5.478 9.460 ( 0.911 13.235 -2.345) 13.472 10.167 ( -1.607 -2.378 -0.865) 2.998 10.224 ( -3.888 -6.527 4.705) 8.936 10.706 ( 7.794 12.804 -1.662) 15.082 10.782 ( 4.631 -3.916 -2.251) 6.469 10.929 ( -7.538 -1.944 -5.854) 9.740 11.391 ( 1.477 -9.807 -6.391) 11.799 12.204 ( 4.347 -0.183 1.741) 4.686 12.475 ( 5.674 -9.094 -6.025) 12.296 12.587 ( 9.361 9.238 0.727) 13.172 12.836 ( 4.723 3.161 -4.829) 7.458 13.109 ( -4.426 -6.565 -6.205) 10.059 13.275 ( -1.000 -8.142 -7.021) 10.798 13.843 ( 4.093 1.114 2.076) 4.722 13.917 ( 5.724 -3.209 3.578) 7.474 14.739 ( 1.435 2.414 5.609) 6.273 15.169 ( -6.242 -13.193 3.629) 15.039 15.416 ( -5.502 9.352 -3.893) 11.528 16.037 ( -10.376 -17.626 -4.608) 20.966 17.292 ( -4.361 5.240 -0.113) 6.818 17.422 ( -4.184 -0.388 0.655) 4.252 18.292 ( 8.670 13.398 -2.873) 16.215 18.582 ( 18.431 -0.341 -2.804) 18.646 ======================= Grid point 115 (60/205) ======================= q-point: (-0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -10.588 15.127 13.447) 22.842 2.318 ( -12.100 19.110 0.103) 22.619 2.584 ( 0.109 -14.378 6.121) 15.627 2.994 ( -2.525 -12.011 0.565) 12.287 3.572 ( -5.253 8.913 -9.342) 13.939 3.795 ( -4.284 -0.455 -13.073) 13.765 3.838 ( 4.358 7.109 -0.643) 8.363 4.115 ( -0.027 -4.256 -1.149) 4.409 4.284 ( -6.939 19.861 3.277) 21.292 4.674 ( -2.177 2.122 0.441) 3.072 4.861 ( -1.401 -1.808 2.679) 3.523 5.121 ( 3.292 -7.579 2.495) 8.632 6.183 ( -5.302 7.029 -2.526) 9.160 6.252 ( -5.223 4.455 0.927) 6.927 6.595 ( -3.112 5.179 -0.358) 6.053 7.022 ( 0.439 -13.527 -4.550) 14.279 7.706 ( -3.458 5.870 9.762) 11.905 7.891 ( 0.819 -1.593 4.168) 4.537 8.095 ( -12.882 2.169 -0.857) 13.092 8.339 ( -8.647 0.379 4.987) 9.990 8.479 ( -3.929 -3.704 18.685) 19.449 8.520 ( -6.874 -7.939 12.329) 16.195 8.666 ( 5.599 0.256 -0.363) 5.617 8.918 ( 9.253 -6.894 4.135) 12.257 9.454 ( 2.671 10.697 6.087) 12.595 9.551 ( 7.811 6.723 3.088) 10.759 10.163 ( -3.345 -1.296 2.510) 4.379 10.178 ( 4.018 -2.001 0.956) 4.590 10.749 ( -3.733 -4.446 -7.486) 9.473 10.808 ( -3.394 2.513 2.834) 5.086 10.912 ( 10.893 5.357 -3.102) 12.529 11.471 ( 8.063 -12.082 -4.284) 15.144 12.172 ( -6.874 7.318 -1.603) 10.167 12.481 ( 0.183 -5.071 -6.439) 8.199 12.826 ( 1.959 5.612 -2.966) 6.643 12.865 ( 11.738 6.591 -4.447) 14.178 13.059 ( -0.843 -8.343 1.430) 8.507 13.330 ( 9.892 -9.279 -6.500) 15.040 13.957 ( 7.099 1.827 2.028) 7.606 14.062 ( 7.517 -3.238 4.012) 9.115 14.768 ( -0.855 -0.561 3.993) 4.121 15.018 ( -10.497 -7.237 2.456) 12.984 15.269 ( -7.759 2.889 -3.375) 8.941 15.749 ( -16.964 -16.179 -5.253) 24.023 17.220 ( -3.140 6.131 1.030) 6.965 17.361 ( -2.761 -0.027 1.614) 3.198 18.459 ( 9.520 17.109 -3.697) 19.925 18.928 ( 18.292 -4.713 -5.591) 19.700 ======================= Grid point 116 (61/205) ======================= q-point: (-0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -8.141 19.775 11.841) 24.445 2.124 ( -7.275 24.905 1.652) 25.998 2.607 ( -0.407 -17.815 6.397) 18.933 2.950 ( -2.565 -14.376 0.907) 14.631 3.437 ( -3.115 19.907 -6.491) 21.170 3.695 ( -0.606 0.598 -9.761) 9.798 3.919 ( 3.822 5.933 0.361) 7.067 4.093 ( -2.147 6.040 1.042) 6.494 4.210 ( -2.182 6.363 2.435) 7.154 4.649 ( -0.671 -1.617 1.328) 2.198 4.860 ( -0.554 0.585 4.570) 4.641 5.184 ( 1.883 -9.301 1.467) 9.602 6.076 ( -4.003 6.905 0.778) 8.020 6.195 ( -1.312 2.382 2.719) 3.845 6.559 ( -0.420 7.297 -0.140) 7.310 7.012 ( 0.724 -13.077 -4.482) 13.843 7.645 ( -5.374 8.025 4.216) 10.538 7.819 ( -6.897 1.502 0.435) 7.073 7.948 ( -3.636 -4.861 0.716) 6.112 8.156 ( -7.888 -9.546 3.506) 12.870 8.426 ( -6.262 -5.456 3.354) 8.957 8.500 ( -3.362 -3.357 18.255) 18.863 8.832 ( 7.512 5.202 12.742) 15.679 9.076 ( 4.199 -8.430 4.308) 10.356 9.505 ( -0.431 9.852 -0.458) 9.873 9.710 ( 5.033 4.351 5.034) 8.343 10.125 ( -1.130 2.709 0.902) 3.071 10.348 ( 9.776 -4.123 9.109) 13.984 10.628 ( -4.052 -0.077 -8.705) 9.603 10.784 ( -0.207 -0.241 4.502) 4.513 11.088 ( 7.191 4.522 -0.504) 8.510 11.606 ( 6.288 -15.459 -4.425) 17.266 12.017 ( -5.965 11.641 -1.823) 13.207 12.434 ( -1.016 -6.737 -7.549) 10.169 12.810 ( 0.190 2.971 2.032) 3.605 12.987 ( 1.163 1.099 -3.091) 3.481 13.188 ( 10.598 1.016 2.962) 11.051 13.496 ( 8.493 -6.174 -6.528) 12.364 14.139 ( 10.144 0.305 1.670) 10.285 14.218 ( 5.913 -2.757 2.644) 7.039 14.720 ( -6.488 1.960 1.098) 6.866 14.829 ( -7.204 -6.153 0.082) 9.474 15.118 ( -5.701 -3.010 -1.550) 6.631 15.377 ( -17.448 -12.512 -5.021) 22.050 17.183 ( -1.432 6.373 2.227) 6.901 17.329 ( -1.467 -0.048 2.409) 2.821 18.598 ( 6.247 19.634 -4.825) 21.161 19.190 ( 11.367 -8.317 -10.269) 17.431 ======================= Grid point 117 (62/205) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -3.751 -17.082 5.011) 18.193 2.164 ( -3.751 17.082 5.011) 18.193 2.607 ( 2.827 -16.724 5.966) 17.980 2.607 ( 2.827 16.724 5.966) 17.980 3.656 ( 2.610 -4.067 -5.945) 7.661 3.656 ( 2.610 4.067 -5.945) 7.661 4.077 ( 1.997 -4.232 0.783) 4.744 4.077 ( 1.997 4.232 0.783) 4.745 4.470 ( -1.031 -15.367 -1.602) 15.485 4.470 ( -1.031 15.367 -1.602) 15.485 4.998 ( 0.242 -9.432 7.230) 11.886 4.998 ( 0.242 9.432 7.230) 11.886 6.180 ( 1.473 -4.479 3.645) 5.959 6.180 ( 1.473 4.479 3.645) 5.959 6.770 ( 1.687 -11.209 -1.143) 11.393 6.770 ( 1.687 11.209 -1.143) 11.393 7.713 ( -5.761 -3.893 -3.264) 7.681 7.713 ( -5.761 3.893 -3.264) 7.681 7.877 ( 3.170 -5.425 3.068) 6.992 7.877 ( 3.170 5.425 3.068) 6.992 8.413 ( -4.095 -4.683 14.069) 15.383 8.413 ( -4.095 4.683 14.069) 15.383 9.039 ( -0.200 -3.128 12.117) 12.515 9.039 ( -0.200 3.128 12.117) 12.515 9.609 ( -5.227 -8.808 -5.499) 11.625 9.609 ( -5.227 8.808 -5.499) 11.625 10.355 ( 2.113 -11.119 12.026) 16.515 10.355 ( 2.113 11.119 12.026) 16.515 10.733 ( 3.829 -8.134 -3.216) 9.548 10.733 ( 3.829 8.134 -3.216) 9.548 11.308 ( -0.962 -13.258 -1.319) 13.358 11.308 ( -0.962 13.258 -1.319) 13.358 12.214 ( 1.324 -10.895 -4.152) 11.734 12.214 ( 1.324 10.895 -4.152) 11.734 12.939 ( 2.824 -4.193 4.834) 6.994 12.939 ( 2.824 4.193 4.834) 6.994 13.448 ( 1.111 -8.508 -4.591) 9.731 13.448 ( 1.111 8.508 -4.591) 9.731 14.229 ( -3.485 -0.856 -1.549) 3.909 14.229 ( -3.485 0.856 -1.549) 3.909 14.667 ( -2.649 -3.149 -1.896) 4.531 14.667 ( -2.649 3.149 -1.896) 4.531 15.042 ( 3.270 -2.719 -1.773) 4.607 15.042 ( 3.270 2.719 -1.773) 4.607 17.288 ( -0.178 -3.635 3.377) 4.965 17.288 ( -0.178 3.635 3.377) 4.965 19.001 ( 0.133 -14.871 -8.791) 17.275 19.001 ( 0.133 14.871 -8.791) 17.275 ======================= Grid point 119 (63/205) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -1.736 -13.940 6.005) 15.277 2.133 ( -1.736 13.940 6.005) 15.277 2.747 ( 8.174 -12.527 7.180) 16.592 2.747 ( 8.174 12.527 7.180) 16.592 3.655 ( -1.011 -4.562 -5.510) 7.224 3.655 ( -1.011 4.562 -5.510) 7.224 4.138 ( 4.145 -4.396 0.020) 6.042 4.138 ( 4.145 4.396 0.020) 6.042 4.479 ( 2.771 -16.098 -1.936) 16.449 4.479 ( 2.771 16.098 -1.936) 16.449 5.023 ( -0.530 -9.006 6.409) 11.067 5.023 ( -0.530 9.006 6.409) 11.067 6.253 ( 3.739 -4.738 3.607) 7.032 6.253 ( 3.739 4.738 3.607) 7.032 6.805 ( 2.099 -10.145 -0.267) 10.363 6.805 ( 2.099 10.145 -0.267) 10.363 7.614 ( -3.209 -5.214 -2.924) 6.785 7.614 ( -3.209 5.214 -2.924) 6.785 8.019 ( 8.627 -3.853 3.017) 9.918 8.019 ( 8.627 3.853 3.017) 9.918 8.415 ( -1.237 -3.308 14.151) 14.585 8.415 ( -1.237 3.308 14.151) 14.585 8.980 ( -10.432 -5.962 7.829) 14.341 8.980 ( -10.432 5.962 7.829) 14.341 9.522 ( -0.907 -9.401 -1.259) 9.528 9.522 ( -0.907 9.401 -1.259) 9.528 10.375 ( -4.974 -11.949 10.055) 16.390 10.375 ( -4.974 11.949 10.055) 16.390 10.829 ( 6.409 -8.648 1.102) 10.820 10.829 ( 6.409 8.648 1.102) 10.820 11.256 ( -3.426 -13.084 -0.571) 13.537 11.256 ( -3.426 13.084 -0.571) 13.537 12.248 ( 3.375 -9.361 -4.068) 10.751 12.248 ( 3.375 9.361 -4.068) 10.751 13.022 ( 2.011 -4.066 1.045) 4.655 13.022 ( 2.011 4.066 1.045) 4.655 13.349 ( -8.025 -11.777 0.143) 14.252 13.349 ( -8.025 11.777 0.143) 14.252 14.055 ( -10.331 -2.086 -3.293) 11.042 14.055 ( -10.331 2.086 -3.293) 11.042 14.661 ( 2.539 -3.426 -4.027) 5.865 14.661 ( 2.539 3.426 -4.027) 5.865 15.229 ( 14.092 -7.334 -1.017) 15.919 15.229 ( 14.092 7.334 -1.017) 15.919 17.313 ( 1.150 -3.325 3.737) 5.133 17.313 ( 1.150 3.325 3.737) 5.133 18.887 ( -7.353 -12.245 -9.381) 17.088 18.887 ( -7.353 12.245 -9.381) 17.088 ======================= Grid point 121 (64/205) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.500 -12.500 8.952) 15.383 2.154 ( 0.500 12.500 8.952) 15.383 2.954 ( 9.063 -10.836 7.893) 16.182 2.954 ( 9.063 10.836 7.893) 16.182 3.567 ( -4.728 -4.770 -7.075) 9.755 3.567 ( -4.728 4.770 -7.075) 9.755 4.216 ( 4.160 -4.906 -2.935) 7.071 4.216 ( 4.160 4.906 -2.935) 7.071 4.546 ( 4.793 -12.867 -4.350) 14.403 4.546 ( 4.793 12.867 -4.350) 14.403 5.046 ( 0.072 -8.813 7.357) 11.480 5.046 ( 0.072 8.813 7.357) 11.480 6.339 ( 3.938 -3.895 1.316) 5.693 6.339 ( 3.938 3.895 1.316) 5.693 6.842 ( 1.644 -7.440 -0.304) 7.625 6.842 ( 1.644 7.440 -0.304) 7.625 7.566 ( -1.326 -5.486 1.077) 5.746 7.566 ( -1.326 5.486 1.077) 5.746 8.120 ( 0.054 -2.238 -2.178) 3.123 8.120 ( 0.054 2.238 -2.178) 3.123 8.474 ( -3.590 -3.673 14.298) 15.192 8.474 ( -3.590 3.673 14.298) 15.192 8.859 ( 1.199 -9.913 8.814) 13.319 8.859 ( 1.199 9.913 8.814) 13.319 9.541 ( 1.387 -9.650 2.877) 10.165 9.541 ( 1.387 9.650 2.877) 10.165 10.276 ( -8.136 -12.383 5.549) 15.821 10.276 ( -8.136 12.383 5.549) 15.821 10.971 ( 5.919 -9.290 5.698) 12.402 10.971 ( 5.919 9.290 5.698) 12.402 11.184 ( -3.629 -15.267 1.049) 15.727 11.184 ( -3.629 15.267 1.049) 15.727 12.284 ( 1.242 -8.396 -3.900) 9.340 12.284 ( 1.242 8.396 -3.900) 9.340 12.871 ( -12.793 -11.654 -12.982) 21.634 12.871 ( -12.793 11.654 -12.982) 21.634 13.323 ( 2.036 -4.780 11.287) 12.425 13.323 ( 2.036 4.780 11.287) 12.425 13.863 ( -7.648 -2.834 -4.260) 9.202 13.863 ( -7.648 2.834 -4.260) 9.202 14.713 ( 4.274 -9.793 -3.379) 11.206 14.713 ( 4.274 9.793 -3.379) 11.206 15.499 ( 13.624 -12.077 -2.182) 18.337 15.499 ( 13.624 12.077 -2.182) 18.337 17.363 ( 2.323 -2.497 3.612) 4.968 17.363 ( 2.323 2.497 3.612) 4.968 18.664 ( -10.964 -8.195 -8.360) 16.040 18.664 ( -10.964 8.195 -8.360) 16.040 ======================= Grid point 123 (65/205) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 1.322 -11.033 11.949) 16.317 2.221 ( 1.322 11.033 11.949) 16.317 3.121 ( 3.184 -9.731 7.581) 12.740 3.121 ( 3.184 9.731 7.581) 12.740 3.452 ( -2.085 -1.202 -7.684) 8.052 3.452 ( -2.085 1.202 -7.684) 8.052 4.269 ( 2.949 -5.367 -4.591) 7.654 4.269 ( 2.949 5.367 -4.591) 7.654 4.593 ( 3.058 -4.713 -9.637) 11.155 4.593 ( 3.058 4.713 -9.637) 11.155 5.091 ( 0.698 -5.466 7.755) 9.513 5.091 ( 0.698 5.466 7.755) 9.513 6.413 ( 3.473 -3.103 -0.157) 4.660 6.413 ( 3.473 3.103 -0.157) 4.660 6.858 ( 0.291 -3.486 -1.249) 3.714 6.858 ( 0.291 3.486 -1.249) 3.714 7.571 ( 0.054 -4.001 5.629) 6.907 7.571 ( 0.054 4.001 5.629) 6.907 8.038 ( -4.634 -2.316 -4.370) 6.778 8.038 ( -4.634 2.316 -4.370) 6.778 8.407 ( -7.096 -3.012 19.254) 20.740 8.407 ( -7.096 3.012 19.254) 20.740 9.083 ( 11.892 -15.655 8.184) 21.295 9.083 ( 11.892 15.655 8.184) 21.295 9.576 ( 1.165 -13.916 1.217) 14.017 9.576 ( 1.165 13.916 1.217) 14.017 10.139 ( -7.311 -13.882 3.361) 16.045 10.139 ( -7.311 13.882 3.361) 16.045 11.004 ( -5.743 -6.758 4.324) 9.866 11.004 ( -5.743 6.758 4.324) 9.866 11.211 ( 5.665 -13.128 3.497) 14.720 11.211 ( 5.665 13.128 3.497) 14.720 12.192 ( -10.004 -8.746 -4.689) 14.092 12.192 ( -10.004 8.746 -4.689) 14.092 12.636 ( -2.229 -12.288 -12.808) 17.889 12.636 ( -2.229 12.288 -12.808) 17.889 13.400 ( -0.037 -3.834 7.559) 8.475 13.400 ( -0.037 3.834 7.559) 8.475 13.736 ( -3.129 -2.219 -3.710) 5.337 13.736 ( -3.129 2.219 -3.710) 5.337 14.786 ( 4.210 -14.374 -1.209) 15.027 14.786 ( 4.210 14.374 -1.209) 15.027 15.711 ( 9.280 -15.440 -3.141) 18.286 15.711 ( 9.280 15.440 -3.141) 18.286 17.427 ( 2.559 -1.453 2.902) 4.133 17.427 ( 2.559 1.453 2.902) 4.133 18.426 ( -9.520 -4.084 -6.456) 12.206 18.426 ( -9.520 4.084 -6.456) 12.206 ======================= Grid point 125 (66/205) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -0.383 -8.091 13.858) 16.051 2.291 ( -0.383 8.091 13.857) 16.051 3.100 ( -5.521 -5.376 -0.154) 7.708 3.100 ( -5.521 5.376 -0.154) 7.708 3.475 ( 5.374 -4.123 -0.745) 6.814 3.475 ( 5.374 4.123 -0.745) 6.814 4.274 ( -0.551 -5.575 -6.606) 8.662 4.274 ( -0.551 5.575 -6.606) 8.662 4.603 ( 3.669 -7.750 -11.243) 14.139 4.603 ( 3.669 7.750 -11.243) 14.139 5.113 ( -2.031 -2.106 5.652) 6.364 5.113 ( -2.031 2.106 5.652) 6.364 6.462 ( 1.434 -3.274 -0.452) 3.603 6.462 ( 1.434 3.274 -0.452) 3.603 6.844 ( -0.818 -3.045 -1.850) 3.656 6.844 ( -0.818 3.045 -1.850) 3.656 7.607 ( 0.856 -2.064 7.101) 7.445 7.607 ( 0.856 2.064 7.101) 7.445 7.999 ( 1.801 -1.185 3.683) 4.267 7.999 ( 1.801 1.185 3.683) 4.267 8.392 ( -4.118 -2.237 20.946) 21.464 8.392 ( -4.118 2.237 20.946) 21.464 9.236 ( -0.475 -18.318 2.664) 18.517 9.236 ( -0.475 18.318 2.664) 18.517 9.591 ( 0.324 -16.503 -2.379) 16.677 9.591 ( 0.324 16.503 -2.379) 16.677 10.066 ( -1.194 -12.629 5.179) 13.702 10.066 ( -1.194 12.629 5.179) 13.702 10.880 ( -6.892 -3.634 0.590) 7.814 10.880 ( -6.892 3.634 0.590) 7.814 11.298 ( -0.151 -11.022 0.090) 11.023 11.298 ( -0.151 11.022 0.090) 11.023 11.995 ( -3.554 -6.794 -3.892) 8.598 11.995 ( -3.554 6.794 -3.892) 8.598 12.633 ( 4.542 -9.365 -8.260) 13.288 12.633 ( 4.542 9.365 -8.260) 13.288 13.362 ( -4.913 -4.387 -0.775) 6.632 13.362 ( -4.913 4.387 -0.775) 6.632 13.720 ( 1.583 -1.869 0.755) 2.563 13.720 ( 1.583 1.869 0.755) 2.563 14.856 ( 2.835 -15.756 1.213) 16.055 14.856 ( 2.835 15.756 1.213) 16.055 15.822 ( 3.678 -17.224 -3.641) 17.984 15.822 ( 3.678 17.224 -3.641) 17.984 17.470 ( 0.451 -2.818 1.668) 3.305 17.470 ( 0.451 2.818 1.668) 3.305 18.278 ( -2.514 -0.801 -4.382) 5.115 18.278 ( -2.514 0.801 -4.382) 5.115 ======================= Grid point 127 (67/205) ======================= q-point: (-0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -3.347 -6.909 14.299) 16.230 2.316 ( -3.347 6.909 14.299) 16.230 2.975 ( -5.903 -6.479 -3.958) 9.617 2.975 ( -5.903 6.479 -3.958) 9.617 3.596 ( 6.081 -2.607 2.483) 7.067 3.596 ( 6.081 2.607 2.483) 7.067 4.182 ( -4.423 -1.861 -11.224) 12.207 4.182 ( -4.423 1.861 -11.224) 12.207 4.652 ( 5.375 -11.138 -8.074) 14.769 4.652 ( 5.375 11.138 -8.074) 14.769 5.054 ( -6.291 -4.076 4.809) 8.906 5.054 ( -6.291 4.076 4.809) 8.906 6.457 ( -1.828 -3.447 -0.495) 3.933 6.457 ( -1.828 3.447 -0.495) 3.933 6.818 ( -0.989 -6.602 -1.886) 6.937 6.818 ( -0.989 6.602 -1.886) 6.937 7.673 ( 2.506 -1.695 8.466) 8.990 7.673 ( 2.506 1.695 8.466) 8.990 8.130 ( 8.050 -1.992 9.132) 12.335 8.130 ( 8.050 1.993 9.132) 12.335 8.421 ( -2.394 -2.082 20.761) 21.002 8.421 ( -2.394 2.082 20.761) 21.002 9.083 ( -13.995 -16.394 -3.795) 21.887 9.083 ( -13.995 16.394 -3.795) 21.887 9.563 ( -1.760 -10.381 -1.546) 10.642 9.563 ( -1.760 10.381 -1.546) 10.642 10.112 ( 1.501 -4.871 5.591) 7.566 10.112 ( 1.501 4.871 5.591) 7.566 10.788 ( -1.078 -2.362 -3.625) 4.459 10.788 ( -1.078 2.362 -3.625) 4.459 11.198 ( -6.739 -12.787 -4.069) 15.015 11.198 ( -6.739 12.787 -4.069) 15.015 12.074 ( 10.250 -6.251 -0.105) 12.006 12.074 ( 10.250 6.251 -0.105) 12.006 12.702 ( 5.527 -7.288 -5.315) 10.579 12.702 ( 5.527 7.288 -5.315) 10.579 13.235 ( -6.250 -4.439 -5.765) 9.592 13.235 ( -6.250 4.439 -5.765) 9.592 13.777 ( 3.268 -1.109 2.829) 4.462 13.777 ( 3.268 1.109 2.829) 4.462 14.899 ( 0.529 -14.671 3.090) 15.002 14.899 ( 0.529 14.671 3.090) 15.002 15.816 ( -2.600 -17.390 -4.047) 18.043 15.816 ( -2.600 17.390 -4.047) 18.043 17.450 ( -2.908 -3.397 0.653) 4.519 17.450 ( -2.908 3.397 0.653) 4.519 18.310 ( 7.267 -2.604 -2.949) 8.263 18.310 ( 7.267 2.604 -2.949) 8.263 ======================= Grid point 129 (68/205) ======================= q-point: (-0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -4.672 -10.512 13.405) 17.664 2.296 ( -4.672 10.512 13.405) 17.664 2.842 ( -6.301 -11.277 -4.015) 13.528 2.842 ( -6.301 11.277 -4.015) 13.528 3.708 ( 3.922 -3.472 0.617) 5.274 3.708 ( 3.922 3.472 0.617) 5.274 4.041 ( -3.673 -4.153 -11.914) 13.141 4.041 ( -3.673 4.153 -11.914) 13.141 4.707 ( 2.494 -10.293 -7.155) 12.781 4.707 ( 2.494 10.293 -7.155) 12.781 4.940 ( -6.982 -8.134 7.724) 13.213 4.940 ( -6.982 8.134 7.724) 13.213 6.391 ( -4.691 -2.374 -0.367) 5.270 6.391 ( -4.691 2.374 -0.367) 5.270 6.788 ( -1.152 -9.385 -2.354) 9.745 6.788 ( -1.152 9.385 -2.354) 9.745 7.763 ( 2.322 -3.096 9.049) 9.842 7.763 ( 2.322 3.096 9.049) 9.842 8.325 ( 4.430 -3.677 12.956) 14.177 8.325 ( 4.430 3.677 12.956) 14.177 8.486 ( -0.135 -4.350 13.332) 14.025 8.486 ( -0.135 4.350 13.332) 14.025 8.743 ( -15.067 -11.466 -3.566) 19.267 8.743 ( -15.067 11.466 -3.566) 19.267 9.540 ( 0.150 -5.272 1.838) 5.585 9.540 ( 0.150 5.272 1.838) 5.585 10.137 ( -0.372 -1.754 2.854) 3.370 10.137 ( -0.372 1.754 2.854) 3.370 10.789 ( 1.396 -2.764 -5.979) 6.733 10.789 ( 1.396 2.764 -5.979) 6.733 11.097 ( -0.572 -16.072 -2.144) 16.224 11.097 ( -0.572 16.072 -2.144) 16.224 12.276 ( 8.364 -7.462 -0.643) 11.228 12.276 ( 8.364 7.462 -0.643) 11.228 12.814 ( 8.851 -8.398 -3.635) 12.731 12.814 ( 8.851 8.398 -3.635) 12.731 13.090 ( -5.195 -6.986 -7.196) 11.295 13.090 ( -5.195 6.986 -7.196) 11.295 13.870 ( 5.044 -1.649 3.298) 6.248 13.870 ( 5.044 1.649 3.298) 6.248 14.899 ( -2.184 -11.809 3.894) 12.624 14.899 ( -2.184 11.809 3.894) 12.624 15.686 ( -8.826 -15.916 -4.644) 18.783 15.686 ( -8.826 15.916 -4.644) 18.783 17.384 ( -3.793 -3.339 0.803) 5.117 17.384 ( -3.793 3.339 0.803) 5.117 18.504 ( 13.320 -7.197 -3.035) 15.441 18.504 ( 13.320 7.197 -3.035) 15.441 ======================= Grid point 131 (69/205) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -4.420 -15.356 11.123) 19.470 2.262 ( -4.420 15.356 11.123) 19.470 2.701 ( -6.692 -16.433 -1.614) 17.816 2.701 ( -6.692 16.433 -1.614) 17.816 3.710 ( -1.377 -5.683 -8.712) 10.493 3.710 ( -1.377 5.683 -8.712) 10.493 3.993 ( 1.959 -6.926 -2.823) 7.732 3.993 ( 1.959 6.926 -2.823) 7.732 4.646 ( -5.002 -8.762 -4.941) 11.235 4.646 ( -5.002 8.762 -4.941) 11.235 4.909 ( -0.480 -9.685 8.671) 13.008 4.909 ( -0.480 9.685 8.671) 13.008 6.282 ( -6.024 -2.021 -0.088) 6.355 6.282 ( -6.024 2.021 -0.088) 6.355 6.760 ( -0.358 -11.175 -2.703) 11.503 6.760 ( -0.358 11.175 -2.703) 11.503 7.824 ( 0.232 -5.086 6.694) 8.410 7.824 ( 0.232 5.086 6.694) 8.410 8.228 ( -17.839 -10.311 -3.175) 20.848 8.228 ( -17.839 10.311 -3.175) 20.848 8.421 ( -2.850 -2.528 16.735) 17.163 8.421 ( -2.850 2.528 16.735) 17.163 8.770 ( 8.030 -6.865 6.694) 12.507 8.770 ( 8.030 6.865 6.694) 12.507 9.606 ( 4.483 -2.801 5.686) 7.764 9.606 ( 4.483 2.801 5.686) 7.764 10.149 ( 1.140 -0.770 2.083) 2.496 10.149 ( 1.140 0.770 2.083) 2.496 10.750 ( -1.608 -4.043 -6.794) 8.068 10.750 ( -1.608 4.043 -6.794) 8.068 11.167 ( 6.478 -15.409 0.236) 16.717 11.167 ( 6.478 15.409 0.236) 16.717 12.331 ( -1.472 -8.339 -3.084) 9.012 12.331 ( -1.472 8.339 -3.084) 9.012 12.929 ( -0.743 -5.136 -2.590) 5.800 12.929 ( -0.743 5.136 -2.590) 5.800 13.090 ( 12.774 -12.988 -5.521) 19.036 13.090 ( 12.774 12.988 -5.521) 19.036 14.002 ( 7.138 -2.590 3.295) 8.277 14.002 ( 7.138 2.590 3.295) 8.277 14.850 ( -4.454 -7.479 3.281) 9.303 14.850 ( -4.454 7.479 3.281) 9.303 15.446 ( -13.477 -12.739 -5.150) 19.247 15.446 ( -13.477 12.739 -5.150) 19.247 17.323 ( -2.874 -3.623 1.690) 4.923 17.323 ( -2.874 3.623 1.690) 4.923 18.756 ( 13.593 -11.674 -4.488) 18.471 18.756 ( 13.593 11.674 -4.488) 18.471 ======================= Grid point 133 (70/205) ======================= q-point: (-0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -4.386 -18.959 7.393) 20.817 2.219 ( -4.386 18.959 7.393) 20.817 2.596 ( -3.578 -19.923 2.611) 20.409 2.596 ( -3.578 19.923 2.611) 20.409 3.651 ( 0.554 -4.901 -9.240) 10.474 3.651 ( 0.554 4.901 -9.240) 10.474 4.037 ( 2.242 -5.324 0.573) 5.806 4.037 ( 2.242 5.324 0.573) 5.806 4.532 ( -4.421 -12.419 -2.253) 13.373 4.532 ( -4.421 12.419 -2.253) 13.373 4.953 ( 0.786 -9.979 7.960) 12.789 4.953 ( 0.786 9.979 7.960) 12.789 6.187 ( -3.402 -3.305 1.309) 4.920 6.187 ( -3.402 3.305 1.309) 4.920 6.754 ( 0.764 -11.562 -2.200) 11.794 6.754 ( 0.764 11.562 -2.200) 11.794 7.828 ( -2.256 -7.421 2.529) 8.158 7.828 ( -2.256 7.421 2.529) 8.158 7.918 ( -11.037 -9.349 -1.831) 14.580 7.918 ( -11.037 9.349 -1.831) 14.580 8.429 ( -3.858 -3.121 15.287) 16.073 8.429 ( -3.858 3.121 15.287) 16.073 8.934 ( 5.186 -5.388 9.410) 12.019 8.934 ( 5.186 5.388 9.410) 12.019 9.685 ( 0.001 -6.296 0.901) 6.360 9.685 ( 0.001 6.296 0.901) 6.360 10.227 ( 5.013 -6.912 7.265) 11.211 10.227 ( 5.013 6.912 7.265) 11.211 10.709 ( 0.689 -6.202 -5.498) 8.317 10.709 ( 0.689 6.202 -5.498) 8.317 11.281 ( 4.204 -13.959 0.080) 14.579 11.281 ( 4.204 13.959 0.080) 14.579 12.253 ( -3.088 -10.599 -4.772) 12.027 12.253 ( -3.088 10.599 -4.772) 12.027 12.901 ( -0.434 -5.608 1.657) 5.864 12.901 ( -0.434 5.608 1.657) 5.864 13.336 ( 12.104 -8.963 -5.417) 16.006 13.336 ( 12.104 8.963 -5.417) 16.006 14.163 ( 7.572 -2.120 2.170) 8.157 14.163 ( 7.572 2.120 2.170) 8.157 14.762 ( -5.551 -2.292 1.228) 6.129 14.762 ( -5.551 2.292 1.228) 6.129 15.161 ( -12.158 -7.471 -4.612) 14.997 15.161 ( -12.158 7.471 -4.612) 14.997 17.291 ( -1.516 -3.723 2.653) 4.817 17.291 ( -1.516 3.723 2.653) 4.817 18.951 ( 8.430 -14.653 -6.769) 18.210 18.951 ( 8.430 14.653 -6.769) 18.210 ======================= Grid point 162 (71/205) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 4.214 0.000 25.534) 25.879 1.258 ( 17.333 0.000 30.234) 34.850 2.038 ( -5.896 0.000 46.863) 47.232 3.046 ( -2.033 0.000 -6.087) 6.417 3.453 ( 0.351 0.000 -11.179) 11.184 3.470 ( 1.837 0.000 -10.017) 10.185 3.784 ( 3.529 0.000 4.113) 5.419 3.878 ( -4.153 0.000 3.985) 5.755 4.471 ( 1.842 0.000 -15.058) 15.170 4.649 ( 1.220 0.000 8.343) 8.432 4.905 ( -3.558 0.000 6.605) 7.502 5.149 ( 1.784 0.000 -3.790) 4.189 5.916 ( 0.191 0.000 1.645) 1.656 6.273 ( 5.867 0.000 -0.454) 5.884 6.636 ( 1.615 0.000 18.163) 18.234 7.064 ( 1.024 0.000 -23.150) 23.172 7.812 ( 7.622 0.000 -1.011) 7.689 7.927 ( -4.220 0.000 -4.086) 5.874 7.984 ( 6.062 0.000 0.783) 6.112 8.276 ( -1.034 0.000 8.612) 8.674 8.729 ( 14.053 0.000 12.222) 18.624 8.745 ( -12.979 0.000 -8.171) 15.337 8.943 ( -12.597 0.000 29.574) 32.145 9.318 ( -2.661 0.000 16.294) 16.510 9.351 ( 0.489 0.000 -1.827) 1.891 9.863 ( -20.484 0.000 -11.392) 23.439 10.100 ( -5.222 0.000 -8.034) 9.582 10.544 ( 4.607 0.000 -3.005) 5.500 10.627 ( 22.482 0.000 4.001) 22.835 10.853 ( 1.732 0.000 -2.585) 3.112 11.089 ( -6.412 0.000 12.093) 13.687 11.408 ( 13.596 0.000 4.056) 14.188 12.195 ( -4.281 0.000 -6.079) 7.436 12.625 ( 12.768 0.000 0.324) 12.772 12.680 ( 7.382 0.000 -19.597) 20.942 13.099 ( 8.515 0.000 -10.241) 13.319 13.826 ( 0.728 0.000 -1.578) 1.738 13.892 ( -6.092 0.000 15.699) 16.839 14.313 ( -5.684 0.000 -5.281) 7.759 14.325 ( -11.971 0.000 6.484) 13.614 15.347 ( 35.873 0.000 -5.735) 36.328 15.403 ( 2.036 0.000 5.874) 6.217 15.581 ( -0.304 0.000 -5.379) 5.388 15.901 ( -21.470 0.000 -2.588) 21.626 17.044 ( 0.163 0.000 0.906) 0.921 17.190 ( 0.059 0.000 -1.320) 1.321 17.270 ( 2.192 0.000 0.736) 2.313 17.534 ( -15.674 0.000 -1.964) 15.796 ======================= Grid point 163 (72/205) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 19.806 0.000 21.598) 29.305 1.685 ( 8.760 0.000 29.906) 31.163 2.420 ( 25.722 0.000 38.645) 46.423 3.024 ( 1.749 0.000 -3.916) 4.288 3.407 ( 0.384 0.000 -13.035) 13.041 3.469 ( 3.394 0.000 -14.526) 14.917 3.764 ( -7.159 0.000 0.304) 7.166 3.815 ( -1.466 0.000 1.842) 2.354 4.465 ( 3.245 0.000 -9.194) 9.750 4.737 ( 2.677 0.000 9.733) 10.094 4.818 ( -7.389 0.000 3.971) 8.389 5.142 ( -0.598 0.000 -3.362) 3.415 5.907 ( -0.219 0.000 -2.855) 2.864 6.456 ( 11.897 0.000 4.476) 12.711 6.624 ( -7.268 0.000 8.166) 10.932 6.985 ( 1.178 0.000 -23.541) 23.570 7.837 ( -3.121 0.000 -4.133) 5.179 7.898 ( -4.316 0.000 12.007) 12.760 7.962 ( 3.760 0.000 -3.185) 4.928 8.441 ( -13.625 0.000 -10.474) 17.185 8.545 ( 10.211 0.000 10.973) 14.989 8.847 ( -7.173 0.000 30.126) 30.969 9.092 ( 10.259 0.000 26.436) 28.357 9.094 ( -30.134 0.000 -10.747) 31.994 9.363 ( -10.573 0.000 -3.401) 11.106 9.386 ( 5.459 0.000 10.756) 12.062 10.139 ( 4.491 0.000 -6.527) 7.922 10.584 ( 1.095 0.000 -6.002) 6.101 10.827 ( -3.670 0.000 -2.973) 4.723 10.870 ( -5.949 0.000 4.568) 7.500 11.250 ( 22.114 0.000 10.187) 24.347 11.672 ( 13.700 0.000 -3.518) 14.145 11.967 ( -13.402 0.000 -5.932) 14.656 12.689 ( -4.686 0.000 -2.339) 5.238 12.747 ( 8.165 0.000 -16.893) 18.763 13.166 ( 2.260 0.000 -13.803) 13.987 13.688 ( -17.690 0.000 11.880) 21.309 13.802 ( -5.515 0.000 7.118) 9.004 14.049 ( -20.771 0.000 2.943) 20.979 14.096 ( -9.254 0.000 1.019) 9.310 15.337 ( -3.665 0.000 4.048) 5.461 15.461 ( -2.652 0.000 -2.258) 3.483 15.592 ( 5.866 0.000 3.020) 6.598 16.442 ( 46.281 0.000 -22.784) 51.585 17.050 ( 0.035 0.000 1.027) 1.028 17.187 ( -0.348 0.000 -1.197) 1.246 17.311 ( 1.199 0.000 2.537) 2.806 17.315 ( -7.073 0.000 0.303) 7.080 ======================= Grid point 164 (73/205) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 23.268 0.000 15.807) 28.129 1.944 ( 6.926 0.000 28.869) 29.688 3.046 ( 0.462 0.000 -2.081) 2.132 3.124 ( 24.738 0.000 23.355) 34.021 3.358 ( 1.672 0.000 -15.163) 15.255 3.464 ( 5.136 0.000 -11.352) 12.459 3.666 ( -2.132 0.000 0.340) 2.159 3.801 ( 2.610 0.000 -5.161) 5.783 4.490 ( 0.981 0.000 -2.357) 2.553 4.638 ( -12.454 0.000 8.772) 15.233 4.838 ( 3.126 0.000 3.318) 4.559 5.098 ( -2.438 0.000 -3.817) 4.529 5.905 ( 1.960 0.000 -4.797) 5.181 6.489 ( -7.766 0.000 1.843) 7.982 6.734 ( 11.439 0.000 6.936) 13.378 6.909 ( 3.240 0.000 -22.165) 22.401 7.777 ( -1.408 0.000 -2.227) 2.635 7.851 ( -5.716 0.000 19.034) 19.874 8.083 ( 7.141 0.000 -0.086) 7.141 8.138 ( -13.458 0.000 -10.419) 17.020 8.515 ( -20.775 0.000 -7.239) 22.001 8.573 ( -6.995 0.000 12.870) 14.648 8.981 ( 1.367 0.000 30.588) 30.619 9.176 ( -9.701 0.000 -0.926) 9.745 9.224 ( -6.234 0.000 26.474) 27.198 9.699 ( 17.879 0.000 13.191) 22.218 10.185 ( 3.287 0.000 -6.616) 7.388 10.492 ( -7.894 0.000 -9.692) 12.500 10.681 ( -13.554 0.000 4.153) 14.176 10.725 ( -3.185 0.000 -2.875) 4.291 11.690 ( 15.831 0.000 5.394) 16.725 11.733 ( -8.491 0.000 -0.545) 8.508 11.927 ( 17.267 0.000 -13.305) 21.798 12.454 ( -17.429 0.000 -4.565) 18.017 12.854 ( 9.781 0.000 -13.393) 16.584 13.046 ( -6.414 0.000 -16.012) 17.249 13.421 ( -12.837 0.000 7.565) 14.900 13.690 ( -7.558 0.000 8.469) 11.351 13.693 ( -17.560 0.000 12.205) 21.385 14.042 ( 1.408 0.000 -0.127) 1.414 15.321 ( -8.981 0.000 -3.260) 9.555 15.415 ( 7.368 0.000 -1.674) 7.555 15.752 ( 6.914 0.000 5.775) 9.008 17.026 ( 17.641 0.000 -20.614) 27.132 17.054 ( -0.108 0.000 1.132) 1.137 17.178 ( 7.742 0.000 -3.873) 8.657 17.265 ( 1.911 0.000 -2.432) 3.093 17.333 ( -0.484 0.000 4.225) 4.252 ======================= Grid point 165 (74/205) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 10.000 0.000 23.458) 25.500 2.393 ( 20.361 0.000 10.709) 23.005 2.980 ( -5.688 0.000 -2.951) 6.408 3.171 ( -11.098 0.000 -2.808) 11.448 3.378 ( 6.490 0.000 -12.578) 14.153 3.682 ( 2.617 0.000 0.721) 2.714 3.875 ( 21.147 0.000 0.717) 21.159 3.891 ( 12.041 0.000 -2.545) 12.307 4.433 ( -12.075 0.000 9.990) 15.672 4.457 ( -4.129 0.000 1.671) 4.455 4.882 ( 0.039 0.000 1.350) 1.351 5.007 ( -5.065 0.000 -5.722) 7.642 5.925 ( 2.011 0.000 -6.255) 6.571 6.383 ( -3.655 0.000 2.921) 4.679 6.722 ( -3.876 0.000 -14.462) 14.972 7.105 ( 13.978 0.000 -0.899) 14.007 7.765 ( -0.758 0.000 3.545) 3.625 7.841 ( -4.192 0.000 18.882) 19.342 7.904 ( -2.939 0.000 -3.036) 4.226 8.203 ( 2.959 0.000 7.342) 7.916 8.272 ( -4.495 0.000 -2.226) 5.016 8.521 ( -2.006 0.000 8.858) 9.083 8.989 ( -8.573 0.000 -2.510) 8.933 9.041 ( -8.339 0.000 25.891) 27.201 9.180 ( -8.899 0.000 22.880) 24.549 9.971 ( -1.091 0.000 9.883) 9.943 10.207 ( 1.985 0.000 -6.725) 7.012 10.346 ( 1.807 0.000 -1.381) 2.275 10.422 ( -13.881 0.000 1.396) 13.951 10.706 ( 2.442 0.000 -1.920) 3.107 11.602 ( -7.613 0.000 1.540) 7.767 11.883 ( 4.584 0.000 0.244) 4.591 12.056 ( -17.846 0.000 -6.722) 19.070 12.175 ( 13.940 0.000 -19.565) 24.023 12.830 ( -4.968 0.000 -16.086) 16.836 13.019 ( 8.906 0.000 -10.335) 13.643 13.273 ( -6.159 0.000 5.351) 8.159 13.488 ( -9.894 0.000 14.132) 17.252 13.612 ( -2.949 0.000 2.185) 3.670 14.101 ( 4.512 0.000 1.495) 4.753 15.114 ( -11.409 0.000 0.651) 11.428 15.531 ( 5.650 0.000 -5.620) 7.969 15.889 ( 4.486 0.000 6.095) 7.568 17.013 ( -2.762 0.000 -4.669) 5.424 17.057 ( -0.049 0.000 1.123) 1.124 17.273 ( 2.179 0.000 -3.328) 3.978 17.325 ( -2.525 0.000 5.043) 5.640 17.508 ( 19.511 0.000 -15.683) 25.033 ======================= Grid point 166 (75/205) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 11.173 0.000 18.816) 21.884 2.641 ( -4.919 0.000 2.176) 5.379 2.898 ( -15.538 0.000 -0.654) 15.551 2.947 ( 9.767 0.000 1.484) 9.879 3.458 ( 6.041 0.000 -9.065) 10.894 3.725 ( 0.497 0.000 -0.595) 0.775 4.004 ( 6.671 0.000 -15.059) 16.470 4.137 ( -4.062 0.000 1.895) 4.482 4.317 ( -4.170 0.000 14.580) 15.165 4.440 ( 4.572 0.000 3.464) 5.736 4.851 ( -2.737 0.000 -1.642) 3.192 4.870 ( -5.039 0.000 -5.011) 7.106 5.919 ( 0.390 0.000 -5.768) 5.781 6.364 ( -1.489 0.000 6.039) 6.220 6.595 ( -3.065 0.000 -10.190) 10.641 7.259 ( 4.852 0.000 -10.544) 11.607 7.844 ( -3.330 0.000 14.395) 14.775 7.866 ( 8.304 0.000 14.115) 16.377 8.022 ( 12.243 0.000 5.769) 13.534 8.251 ( -2.973 0.000 16.575) 16.840 8.257 ( 2.235 0.000 3.006) 3.746 8.576 ( 4.584 0.000 -1.069) 4.707 8.840 ( -4.661 0.000 -5.373) 7.112 8.946 ( -9.938 0.000 19.879) 22.224 9.051 ( -13.149 0.000 16.307) 20.948 9.883 ( -6.974 0.000 12.314) 14.152 10.174 ( -8.658 0.000 -0.533) 8.675 10.221 ( 0.056 0.000 -7.489) 7.489 10.406 ( 0.154 0.000 -2.615) 2.619 10.804 ( 3.703 0.000 7.691) 8.536 11.376 ( -12.658 0.000 -4.727) 13.512 11.852 ( -1.919 0.000 0.448) 1.971 11.902 ( -1.472 0.000 -3.891) 4.161 12.280 ( 6.862 0.000 -20.127) 21.265 12.697 ( -2.741 0.000 -13.323) 13.602 13.069 ( 1.760 0.000 -15.152) 15.254 13.214 ( -1.926 0.000 4.374) 4.780 13.432 ( -2.654 0.000 13.599) 13.855 13.593 ( 0.467 0.000 -2.294) 2.341 14.234 ( 8.028 0.000 0.676) 8.057 14.925 ( -8.246 0.000 6.191) 10.311 15.570 ( 1.258 0.000 -7.801) 7.902 15.977 ( 1.798 0.000 6.641) 6.880 16.945 ( -2.090 0.000 -4.660) 5.107 17.062 ( 0.089 0.000 0.970) 0.974 17.282 ( -4.046 0.000 4.550) 6.088 17.294 ( 1.508 0.000 -3.534) 3.842 17.776 ( 14.948 0.000 -12.242) 19.321 ======================= Grid point 167 (76/205) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -19.352 0.000 1.452) 19.407 2.577 ( -19.091 0.000 7.749) 20.604 2.811 ( 11.478 0.000 11.930) 16.555 3.186 ( 10.841 0.000 -4.095) 11.589 3.535 ( 4.602 0.000 0.221) 4.607 3.688 ( -2.796 0.000 -2.022) 3.450 3.759 ( -25.696 0.000 -4.840) 26.148 4.058 ( -2.772 0.000 -7.918) 8.390 4.391 ( 3.116 0.000 16.331) 16.626 4.503 ( 3.080 0.000 -10.774) 11.205 4.791 ( -1.869 0.000 -1.792) 2.589 4.859 ( 3.752 0.000 2.978) 4.790 5.907 ( 0.425 0.000 -1.787) 1.837 6.338 ( -4.696 0.000 6.548) 8.057 6.507 ( -2.915 0.000 -6.759) 7.361 7.274 ( 3.093 0.000 -12.739) 13.109 7.836 ( -2.693 0.000 8.978) 9.374 8.075 ( 6.128 0.000 5.650) 8.335 8.225 ( -8.020 0.000 14.864) 16.890 8.342 ( 13.056 0.000 9.550) 16.176 8.452 ( 17.583 0.000 16.017) 23.784 8.593 ( -1.679 0.000 -11.783) 11.902 8.785 ( 2.381 0.000 -5.762) 6.235 8.891 ( -3.858 0.000 12.232) 12.826 8.917 ( -5.955 0.000 26.062) 26.734 9.838 ( -6.403 0.000 18.272) 19.361 10.021 ( -4.920 0.000 -4.061) 6.380 10.232 ( 3.346 0.000 -5.502) 6.440 10.327 ( -3.914 0.000 -11.390) 12.043 10.779 ( -8.919 0.000 10.686) 13.919 11.251 ( 0.952 0.000 -2.318) 2.506 11.787 ( -8.796 0.000 -5.279) 10.259 11.910 ( 5.421 0.000 5.451) 7.688 12.294 ( 4.234 0.000 -21.975) 22.379 12.569 ( -5.837 0.000 -9.092) 10.804 13.007 ( 0.541 0.000 -17.323) 17.332 13.256 ( 4.508 0.000 5.160) 6.852 13.482 ( 1.606 0.000 12.087) 12.194 13.596 ( 1.545 0.000 -4.467) 4.727 14.334 ( 0.914 0.000 -0.548) 1.065 14.922 ( 5.335 0.000 7.934) 9.561 15.511 ( -3.518 0.000 -8.684) 9.370 16.009 ( -1.891 0.000 7.262) 7.504 16.892 ( -1.117 0.000 -5.847) 5.953 17.067 ( -0.132 0.000 0.932) 0.942 17.219 ( -3.760 0.000 2.685) 4.620 17.297 ( 0.349 0.000 -3.376) 3.394 17.982 ( 11.553 0.000 -9.889) 15.208 ======================= Grid point 168 (77/205) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -25.235 0.000 4.415) 25.619 2.213 ( -23.330 0.000 9.135) 25.055 3.054 ( -1.584 0.000 10.431) 10.550 3.140 ( -26.114 0.000 6.280) 26.859 3.295 ( 4.556 0.000 -10.413) 11.366 3.580 ( -2.447 0.000 -3.113) 3.960 3.679 ( 2.962 0.000 8.267) 8.782 3.913 ( -6.677 0.000 -10.944) 12.820 4.513 ( 3.679 0.000 -15.142) 15.583 4.520 ( 2.752 0.000 13.258) 13.540 4.787 ( 1.277 0.000 2.388) 2.708 4.958 ( 4.206 0.000 2.783) 5.043 5.934 ( 2.175 0.000 3.311) 3.961 6.239 ( -7.936 0.000 7.064) 10.625 6.409 ( -4.433 0.000 -5.982) 7.445 7.269 ( 2.290 0.000 -15.053) 15.226 7.822 ( -2.138 0.000 5.959) 6.331 8.048 ( -13.521 0.000 3.537) 13.976 8.139 ( -0.206 0.000 1.926) 1.937 8.493 ( -2.101 0.000 -9.328) 9.562 8.661 ( 16.402 0.000 7.254) 17.935 8.801 ( 9.876 0.000 -1.066) 9.933 8.883 ( -3.248 0.000 14.609) 14.966 9.006 ( -0.870 0.000 28.242) 28.256 9.019 ( 20.809 0.000 16.803) 26.746 9.703 ( -13.520 0.000 3.203) 13.894 9.957 ( 1.154 0.000 -6.867) 6.964 10.254 ( 2.180 0.000 -4.646) 5.132 10.317 ( 7.587 0.000 -1.283) 7.695 10.693 ( -4.321 0.000 13.178) 13.869 11.299 ( 3.552 0.000 4.276) 5.559 11.528 ( -15.111 0.000 -4.247) 15.697 12.076 ( 8.194 0.000 6.864) 10.689 12.151 ( -12.155 0.000 -20.087) 23.478 12.482 ( 3.316 0.000 -9.679) 10.231 12.961 ( 2.422 0.000 -17.055) 17.226 13.436 ( 11.196 0.000 6.824) 13.111 13.585 ( 3.881 0.000 10.268) 10.977 13.631 ( 4.525 0.000 -4.743) 6.555 14.314 ( -1.694 0.000 3.011) 3.455 15.128 ( 11.238 0.000 3.440) 11.753 15.361 ( -8.175 0.000 -8.324) 11.667 15.956 ( -7.268 0.000 7.193) 10.226 16.843 ( -1.188 0.000 -8.001) 8.089 17.060 ( -1.119 0.000 1.216) 1.653 17.178 ( -0.826 0.000 0.182) 0.846 17.278 ( -0.936 0.000 -2.866) 3.015 18.125 ( 7.342 0.000 -10.269) 12.624 ======================= Grid point 169 (78/205) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -26.617 0.000 9.727) 28.339 1.708 ( -33.144 0.000 5.987) 33.681 2.474 ( -32.344 0.000 25.284) 41.053 3.275 ( -2.419 0.000 -9.372) 9.680 3.311 ( 8.297 0.000 12.108) 14.678 3.516 ( -0.257 0.000 -8.090) 8.094 3.747 ( -4.209 0.000 -13.165) 13.822 3.780 ( 2.473 0.000 11.259) 11.527 4.507 ( 2.829 0.000 -14.967) 15.232 4.603 ( 0.380 0.000 10.226) 10.233 4.842 ( 2.047 0.000 5.914) 6.258 5.033 ( 2.954 0.000 1.001) 3.119 5.963 ( -3.280 0.000 2.138) 3.915 6.189 ( 1.546 0.000 16.018) 16.092 6.298 ( -3.903 0.000 -5.484) 6.731 7.225 ( 0.929 0.000 -18.925) 18.948 7.774 ( -10.395 0.000 9.428) 14.034 7.841 ( -1.328 0.000 -6.596) 6.728 8.108 ( -3.073 0.000 -0.405) 3.099 8.443 ( 0.325 0.000 -4.708) 4.719 8.816 ( -10.501 0.000 5.961) 12.075 8.953 ( 7.714 0.000 0.270) 7.719 9.015 ( 14.803 0.000 1.418) 14.871 9.074 ( -6.632 0.000 32.769) 33.434 9.439 ( 14.621 0.000 10.481) 17.990 9.441 ( -10.482 0.000 -1.407) 10.576 10.039 ( 10.550 0.000 -5.709) 11.996 10.338 ( 5.944 0.000 -0.561) 5.970 10.526 ( 12.373 0.000 6.710) 14.075 10.723 ( 1.707 0.000 9.454) 9.606 11.208 ( -15.792 0.000 -2.319) 15.962 11.486 ( 13.261 0.000 16.992) 21.555 11.723 ( -22.453 0.000 -12.272) 25.588 12.254 ( 6.703 0.000 6.306) 9.203 12.548 ( 7.915 0.000 -16.085) 17.927 12.949 ( 3.883 0.000 -15.258) 15.744 13.666 ( 4.230 0.000 15.076) 15.659 13.720 ( 6.165 0.000 -4.872) 7.858 13.789 ( 17.885 0.000 2.430) 18.049 14.331 ( 1.490 0.000 6.675) 6.839 15.133 ( -11.729 0.000 -6.502) 13.410 15.331 ( 8.109 0.000 0.692) 8.138 15.795 ( -11.584 0.000 5.124) 12.666 16.752 ( -4.891 0.000 -11.764) 12.740 17.043 ( -0.873 0.000 0.992) 1.321 17.187 ( 1.619 0.000 -0.840) 1.824 17.240 ( -1.635 0.000 -2.135) 2.689 18.141 ( -1.567 0.000 -13.622) 13.712 ======================= Grid point 170 (79/205) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -18.322 0.000 19.045) 26.427 1.149 ( -22.048 0.000 19.191) 29.230 2.118 ( -20.565 0.000 40.578) 45.492 3.151 ( -5.261 0.000 -7.614) 9.254 3.464 ( 2.307 0.000 3.660) 4.326 3.489 ( 0.915 0.000 -10.454) 10.494 3.689 ( 4.063 0.000 -6.168) 7.386 3.868 ( 1.472 0.000 9.316) 9.432 4.498 ( 2.739 0.000 -15.224) 15.469 4.625 ( -1.755 0.000 8.561) 8.739 4.900 ( 0.608 0.000 6.879) 6.905 5.099 ( 4.003 0.000 -1.049) 4.139 5.902 ( -2.057 0.000 5.279) 5.666 6.232 ( -0.275 0.000 -3.910) 3.919 6.408 ( 9.911 0.000 22.011) 24.139 7.148 ( 0.604 0.000 -21.901) 21.909 7.672 ( 0.916 0.000 3.554) 3.670 7.856 ( 2.875 0.000 0.743) 2.970 8.027 ( -4.402 0.000 -2.596) 5.110 8.467 ( -1.526 0.000 -2.176) 2.658 8.553 ( -9.518 0.000 0.747) 9.547 8.966 ( -5.710 0.000 -3.998) 6.971 9.039 ( -11.208 0.000 32.894) 34.751 9.256 ( 9.423 0.000 -1.469) 9.537 9.330 ( -4.865 0.000 11.288) 12.291 9.752 ( 15.810 0.000 2.286) 15.974 10.265 ( 14.406 0.000 -2.282) 14.586 10.449 ( 5.911 0.000 -1.364) 6.066 10.591 ( -18.923 0.000 -4.462) 19.442 10.803 ( 3.690 0.000 0.229) 3.697 11.057 ( 6.339 0.000 8.529) 10.627 11.317 ( -12.646 0.000 -0.298) 12.650 11.973 ( 25.672 0.000 14.590) 29.528 12.382 ( 5.007 0.000 5.822) 7.679 12.623 ( 7.725 0.000 -19.446) 20.924 12.990 ( 6.873 0.000 -12.156) 13.965 13.798 ( 3.757 0.000 -4.546) 5.898 13.802 ( 3.713 0.000 16.850) 17.254 14.206 ( 20.826 0.000 0.987) 20.849 14.400 ( 0.219 0.000 8.548) 8.551 14.921 ( -2.876 0.000 -2.023) 3.516 15.410 ( -1.653 0.000 3.528) 3.896 15.622 ( -4.639 0.000 -1.617) 4.913 16.480 ( -19.719 0.000 -15.403) 25.022 17.038 ( -0.083 0.000 0.840) 0.844 17.205 ( -1.041 0.000 -1.445) 1.781 17.224 ( 2.410 0.000 -0.500) 2.461 17.906 ( -16.324 0.000 -12.369) 20.481 ======================= Grid point 171 (80/205) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 2.680 18.285 19.919) 27.172 1.453 ( 11.805 16.471 25.130) 32.283 2.282 ( -2.978 22.829 37.216) 43.762 3.039 ( -2.167 -0.715 -4.491) 5.038 3.351 ( 1.032 -7.669 -5.299) 9.379 3.561 ( 2.818 6.999 -10.433) 12.876 3.756 ( 1.971 -2.266 2.905) 4.178 3.887 ( -3.795 0.735 2.262) 4.479 4.380 ( 2.030 -6.075 -8.014) 10.259 4.733 ( -0.061 4.989 1.088) 5.107 4.884 ( -1.401 -1.689 5.738) 6.144 5.159 ( 0.618 0.818 -3.116) 3.280 5.928 ( 0.765 1.745 2.127) 2.856 6.325 ( 4.402 4.359 0.107) 6.195 6.572 ( 2.352 -4.964 15.333) 16.287 7.043 ( 1.099 -2.094 -21.771) 21.899 7.785 ( 7.414 -3.970 6.911) 10.886 7.854 ( -1.542 0.262 5.173) 5.405 8.054 ( -1.327 4.237 -0.800) 4.512 8.261 ( -2.340 -6.804 -4.363) 8.414 8.681 ( 1.579 -0.473 4.823) 5.097 8.752 ( -1.282 -2.931 7.915) 8.537 8.959 ( -8.637 5.224 17.266) 20.000 9.312 ( -1.828 0.094 19.076) 19.164 9.507 ( 0.936 11.075 3.295) 11.593 9.698 ( -18.725 -11.720 -6.812) 23.117 10.087 ( -5.498 -1.725 -7.177) 9.204 10.456 ( 11.508 -5.874 7.296) 14.839 10.676 ( 5.306 5.027 -3.886) 8.278 10.990 ( 4.378 8.904 -0.958) 9.968 11.201 ( -2.746 7.761 9.135) 12.297 11.396 ( 13.632 -0.913 3.303) 14.057 12.286 ( -5.245 8.429 -7.770) 12.607 12.483 ( 13.910 -10.146 -4.012) 17.678 12.668 ( 2.539 -6.344 -12.156) 13.945 13.013 ( 10.070 -4.551 -8.376) 13.866 13.697 ( -0.964 -9.054 4.841) 10.312 13.950 ( 2.098 -0.642 9.307) 9.562 14.223 ( -13.005 -6.814 3.681) 15.137 14.312 ( -5.966 -1.755 -0.081) 6.220 14.995 ( 3.748 -31.481 10.668) 33.450 15.282 ( 11.734 -10.689 -5.763) 16.887 15.376 ( 1.875 -4.900 4.978) 7.232 15.547 ( -12.739 -15.530 0.298) 20.088 17.043 ( 0.212 -1.021 1.367) 1.719 17.244 ( 1.051 5.092 -0.053) 5.199 17.598 ( 2.147 24.258 -4.475) 24.760 18.207 ( -8.604 39.454 -23.811) 46.879 ======================= Grid point 172 (81/205) ======================= q-point: ( 0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 15.507 13.163 19.575) 28.230 1.784 ( 8.836 9.518 25.976) 29.042 2.615 ( 20.567 17.014 29.985) 40.145 3.021 ( 1.177 -0.646 -1.378) 1.924 3.353 ( 2.731 -2.977 -7.740) 8.731 3.576 ( 3.231 8.140 -12.614) 15.356 3.745 ( -6.726 -3.391 -0.274) 7.537 3.791 ( -1.567 0.682 -0.452) 1.767 4.394 ( 2.528 -5.905 -7.606) 9.955 4.759 ( 0.781 1.338 4.666) 4.916 4.847 ( -4.712 2.112 5.599) 7.617 5.145 ( -0.162 0.377 -3.564) 3.587 5.942 ( 0.844 3.340 -1.833) 3.902 6.464 ( 7.695 0.120 4.036) 8.690 6.592 ( -2.735 -1.885 5.845) 6.723 6.972 ( 1.340 -1.219 -21.801) 21.876 7.779 ( -4.975 -2.786 1.606) 5.924 7.903 ( -5.612 0.177 10.407) 11.825 8.030 ( 6.817 3.898 0.135) 7.854 8.376 ( 4.925 -13.656 7.813) 16.486 8.471 ( -10.680 4.165 -7.960) 13.956 8.921 ( -4.236 2.432 23.457) 23.960 8.963 ( -10.182 -6.097 5.353) 13.019 9.132 ( -8.933 0.129 13.816) 16.453 9.383 ( -2.666 6.095 3.040) 7.315 9.519 ( -1.315 8.016 9.167) 12.248 10.064 ( 1.674 -5.017 -4.431) 6.900 10.685 ( 6.264 -8.374 2.054) 10.657 10.717 ( 1.633 7.939 -5.556) 9.827 10.940 ( -8.756 5.885 2.618) 10.870 11.351 ( 12.863 5.416 9.135) 16.681 11.662 ( 13.515 -1.010 -4.338) 14.230 12.020 ( -15.090 5.646 -8.657) 18.290 12.624 ( 0.182 -8.271 -0.274) 8.278 12.693 ( 7.862 -5.714 -15.404) 18.214 13.044 ( -3.557 -6.136 -11.278) 13.323 13.715 ( -1.282 -3.905 12.897) 13.536 13.809 ( -15.311 3.912 0.517) 15.812 13.978 ( -19.251 -7.802 6.867) 21.878 14.087 ( -9.121 0.384 0.694) 9.156 14.931 ( 1.130 -25.437 3.106) 25.651 15.402 ( -4.155 -13.385 -0.980) 14.050 15.510 ( 7.472 -6.607 5.584) 11.431 15.915 ( 37.099 -22.867 -6.403) 44.048 17.067 ( 2.031 0.185 1.220) 2.376 17.271 ( 1.566 4.873 0.337) 5.130 17.606 ( 0.491 22.349 -3.579) 22.639 17.939 ( -8.627 37.917 -18.380) 43.011 ======================= Grid point 173 (82/205) ======================= q-point: ( 0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 11.777 4.044 23.127) 26.266 2.088 ( 15.422 12.068 17.554) 26.299 3.034 ( -0.845 -1.818 0.367) 2.038 3.112 ( 14.340 -0.351 8.946) 16.905 3.446 ( 7.757 7.321 -4.001) 11.392 3.551 ( 3.061 6.219 -5.868) 9.082 3.605 ( -3.117 -3.764 -1.357) 5.072 3.833 ( 6.982 4.074 -6.896) 10.626 4.382 ( -2.179 -7.377 -3.630) 8.505 4.732 ( -7.643 3.394 11.841) 14.496 4.814 ( 0.893 0.697 -2.234) 2.505 5.129 ( -0.175 2.009 -2.883) 3.519 5.958 ( 2.302 4.817 -4.153) 6.764 6.461 ( -5.261 -2.268 1.265) 5.867 6.733 ( 9.760 -0.086 5.122) 11.023 6.907 ( 2.733 -0.310 -19.896) 20.085 7.680 ( -3.112 -4.821 -3.159) 6.551 7.882 ( -4.837 0.966 24.127) 24.626 8.124 ( -8.394 -0.255 -6.049) 10.349 8.200 ( -0.805 6.587 -2.539) 7.105 8.474 ( -6.402 -3.762 3.605) 8.254 8.525 ( -8.431 -2.190 -0.570) 8.730 9.020 ( -1.958 2.680 29.078) 29.267 9.200 ( -8.157 3.623 16.054) 18.368 9.283 ( -7.955 6.327 15.096) 18.199 9.729 ( 16.585 0.660 10.050) 19.404 10.074 ( 1.016 -7.397 -3.491) 8.242 10.583 ( -9.746 3.674 -8.756) 13.607 10.723 ( -12.935 3.713 5.142) 14.406 10.798 ( 2.833 7.951 -5.656) 10.160 11.609 ( 2.770 -5.374 6.477) 8.860 11.775 ( -0.937 2.090 -2.923) 3.713 11.875 ( 11.031 -3.076 -9.401) 14.817 12.519 ( -9.843 2.733 -5.553) 11.627 12.792 ( 4.479 -7.576 -11.630) 14.585 12.856 ( -3.961 -11.401 -10.873) 16.245 13.508 ( -12.492 5.479 -0.192) 13.642 13.639 ( -15.633 -2.945 6.761) 17.285 13.743 ( -4.000 1.993 12.537) 13.310 14.023 ( 0.438 -1.278 0.383) 1.405 14.966 ( -0.361 -23.505 -4.086) 23.860 15.365 ( 1.273 -10.273 -0.012) 10.352 15.676 ( 6.570 -6.934 5.926) 11.241 16.451 ( 20.623 -24.098 -6.697) 32.417 17.153 ( 6.890 1.695 1.055) 7.174 17.302 ( 1.393 4.296 0.175) 4.519 17.584 ( -1.475 19.288 -2.758) 19.540 17.734 ( -4.942 29.632 -14.956) 33.558 ======================= Grid point 174 (83/205) ======================= q-point: ( 0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 9.420 1.222 22.183) 24.131 2.488 ( 17.428 8.470 9.887) 21.754 2.974 ( -4.583 -1.134 0.273) 4.729 3.171 ( -9.019 0.828 -2.151) 9.309 3.374 ( 2.219 -1.243 -11.512) 11.790 3.613 ( 3.475 -4.541 -0.538) 5.744 3.916 ( 18.297 3.568 3.487) 18.965 3.974 ( 11.028 6.462 -6.374) 14.282 4.273 ( -7.323 -6.017 -0.554) 9.494 4.630 ( -7.363 3.319 9.738) 12.651 4.810 ( -0.310 1.619 -3.155) 3.560 5.098 ( -2.195 4.184 -2.703) 5.443 5.978 ( 1.456 4.908 -6.236) 8.068 6.392 ( -2.048 0.884 2.413) 3.286 6.734 ( -3.272 1.037 -12.243) 12.715 7.063 ( 12.551 -4.177 -0.672) 13.245 7.640 ( -1.440 -5.429 0.400) 5.631 7.892 ( -4.820 0.972 12.602) 13.527 7.921 ( -1.932 1.594 9.875) 10.187 8.169 ( -4.572 0.021 4.130) 6.161 8.451 ( 6.613 9.739 0.265) 11.775 8.538 ( 0.844 1.494 4.783) 5.081 9.000 ( -11.567 3.546 4.892) 13.050 9.063 ( -8.574 5.205 25.397) 27.306 9.229 ( -8.692 2.177 23.877) 25.503 10.011 ( 2.457 -6.094 -0.159) 6.572 10.123 ( 4.770 2.532 6.388) 8.364 10.337 ( -5.785 -0.104 -7.696) 9.628 10.467 ( -13.852 4.029 2.674) 14.672 10.842 ( 4.126 9.426 -4.995) 11.438 11.499 ( -10.433 -7.520 3.151) 13.241 11.882 ( 3.714 -3.967 -0.737) 5.484 11.954 ( -0.617 -2.048 -6.858) 7.184 12.287 ( -3.162 5.502 -18.092) 19.172 12.675 ( -3.517 -13.731 -7.331) 15.957 12.938 ( 7.008 -7.255 -9.337) 13.745 13.360 ( -3.547 6.833 0.000) 7.699 13.424 ( -9.607 -2.564 5.300) 11.268 13.709 ( -3.149 5.626 5.831) 8.693 14.064 ( 3.009 -3.804 1.108) 4.975 14.887 ( -5.071 -18.632 -0.934) 19.332 15.419 ( 3.320 -9.111 -1.935) 9.888 15.805 ( 4.030 -7.907 6.058) 10.745 16.671 ( 6.370 -17.498 -4.107) 19.069 17.267 ( -0.232 6.307 2.899) 6.945 17.372 ( 8.146 5.770 -1.518) 10.098 17.526 ( -2.653 14.081 -3.745) 14.810 17.640 ( 2.276 16.032 -12.473) 20.439 ======================= Grid point 175 (84/205) ======================= q-point: ( 0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 9.015 -1.180 17.748) 19.941 2.689 ( -4.174 4.152 3.724) 6.966 2.891 ( -15.910 -0.702 0.657) 15.939 2.999 ( 10.071 4.516 1.435) 11.130 3.406 ( 3.747 -4.371 -9.518) 11.124 3.673 ( 1.585 -3.303 -1.494) 3.957 4.098 ( 7.567 0.924 -5.860) 9.615 4.127 ( -6.860 0.519 -4.550) 8.248 4.191 ( 3.705 -0.239 4.152) 5.569 4.571 ( -1.301 -1.295 7.794) 8.007 4.774 ( -1.754 7.702 -2.798) 8.380 5.019 ( -4.062 5.090 -3.163) 7.239 5.956 ( -0.373 3.714 -6.280) 7.305 6.390 ( -0.883 2.428 4.609) 5.284 6.632 ( -2.232 3.321 -6.942) 8.013 7.226 ( 5.691 -3.924 -8.367) 10.853 7.670 ( 4.255 -7.990 7.358) 11.666 7.931 ( -1.671 1.742 21.709) 21.843 8.044 ( 11.414 2.089 6.346) 13.225 8.160 ( 1.406 -0.432 8.320) 8.449 8.572 ( 3.819 1.053 -2.155) 4.510 8.591 ( 1.854 16.015 8.596) 18.270 8.803 ( -7.780 2.397 -2.460) 8.505 8.986 ( -9.710 4.021 23.553) 25.791 9.120 ( -12.371 3.691 19.296) 23.216 9.958 ( -5.970 -2.796 1.503) 6.762 10.056 ( -2.981 0.658 -3.123) 4.368 10.224 ( -10.144 4.143 -0.663) 10.977 10.448 ( 6.230 -1.253 2.278) 6.751 10.929 ( 4.947 9.200 0.829) 10.479 11.253 ( -13.957 -9.375 -0.911) 16.838 11.751 ( -9.339 -6.161 -4.240) 11.965 11.994 ( 4.281 4.713 -1.720) 6.595 12.261 ( 5.629 -2.163 -19.256) 20.178 12.613 ( -0.489 -8.346 -6.845) 10.805 12.983 ( 2.102 -7.670 -9.005) 12.014 13.285 ( -4.650 3.656 -1.416) 6.082 13.341 ( -1.172 -2.236 2.493) 3.548 13.689 ( -0.629 5.481 1.736) 5.784 14.144 ( 4.623 -8.955 -0.352) 10.084 14.822 ( -1.407 -8.672 5.735) 10.492 15.443 ( 0.341 -9.015 -4.298) 9.993 15.883 ( 1.250 -8.910 6.424) 11.056 16.718 ( 1.058 -13.407 -3.352) 13.860 17.225 ( -3.686 7.763 0.873) 8.638 17.418 ( -1.981 13.061 -5.543) 14.326 17.502 ( 0.310 14.012 1.445) 14.089 17.752 ( 13.454 -0.326 -9.948) 16.736 ======================= Grid point 176 (85/205) ======================= q-point: (-0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -19.088 3.733 1.566) 19.513 2.587 ( -17.187 0.994 8.325) 19.123 2.788 ( 9.852 -2.011 11.674) 15.407 3.227 ( 10.170 3.457 -3.196) 11.207 3.423 ( 0.926 -7.769 -3.081) 8.409 3.644 ( -3.923 -2.651 -2.129) 5.191 3.887 ( -15.787 7.905 -4.395) 18.195 4.106 ( -5.338 3.555 -5.883) 8.703 4.270 ( 6.282 -5.527 3.018) 8.895 4.614 ( 0.244 -1.203 5.195) 5.338 4.753 ( 2.241 8.825 -3.313) 9.689 4.960 ( -0.306 3.631 -0.584) 3.691 5.932 ( 0.228 2.720 -2.302) 3.571 6.360 ( -4.590 2.269 3.612) 6.266 6.574 ( -2.582 5.637 -2.309) 6.616 7.252 ( 2.747 -2.686 -11.764) 12.375 7.800 ( 4.059 -4.088 6.710) 8.844 7.984 ( -2.682 -1.959 18.407) 18.704 8.288 ( 8.356 0.598 3.224) 8.976 8.372 ( 14.829 1.190 10.295) 18.092 8.531 ( -6.589 3.499 5.468) 9.249 8.605 ( -0.136 2.503 -6.920) 7.360 8.772 ( 4.376 8.232 3.677) 10.022 8.945 ( -5.033 3.487 26.833) 27.523 8.993 ( -6.521 4.423 15.463) 17.355 9.834 ( -8.626 -7.115 3.384) 11.682 10.032 ( -0.814 1.339 1.685) 2.301 10.088 ( -1.487 4.113 -4.199) 6.063 10.525 ( 3.257 5.794 -3.401) 7.466 10.876 ( -10.207 8.955 3.193) 13.949 11.153 ( 3.376 -8.922 -0.450) 9.550 11.547 ( -10.586 -13.266 -2.532) 17.160 12.073 ( 3.998 7.543 0.162) 8.539 12.295 ( 6.410 -0.596 -18.607) 19.689 12.559 ( -2.808 -1.683 -6.935) 7.669 12.956 ( 0.134 -6.321 -11.860) 13.440 13.236 ( 0.955 -1.689 1.167) 2.265 13.355 ( 1.655 -5.564 2.313) 6.249 13.697 ( 1.223 5.031 0.077) 5.178 14.203 ( 1.630 -11.306 -0.737) 11.446 14.910 ( 6.978 -2.016 7.700) 10.585 15.389 ( -3.761 -8.724 -5.750) 11.105 15.902 ( -2.545 -9.957 6.679) 12.257 16.696 ( -1.657 -12.614 -4.093) 13.365 17.153 ( -3.665 5.960 -0.281) 7.002 17.346 ( -2.940 7.644 -3.340) 8.845 17.508 ( 0.460 16.875 -1.355) 16.935 17.992 ( 14.612 1.837 -7.741) 16.638 ======================= Grid point 177 (86/205) ======================= q-point: (-0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -23.760 5.160 3.904) 24.625 2.255 ( -21.937 4.021 8.904) 24.014 3.014 ( 7.693 -4.617 9.864) 13.334 3.241 ( -25.409 8.268 3.827) 26.993 3.330 ( 3.309 2.892 -8.507) 9.575 3.501 ( -2.019 -5.752 -2.629) 6.639 3.718 ( -1.218 3.713 4.257) 5.778 3.947 ( -6.891 3.494 -7.803) 10.981 4.382 ( 4.013 -5.771 -0.957) 7.094 4.635 ( 1.283 0.056 3.747) 3.961 4.804 ( 2.614 7.853 -0.979) 8.334 4.999 ( 3.590 1.236 0.809) 3.882 5.952 ( 1.658 2.099 3.101) 4.096 6.252 ( -7.491 1.812 3.802) 8.594 6.491 ( -5.148 6.672 -1.675) 8.592 7.240 ( 1.654 -3.169 -14.086) 14.532 7.870 ( 0.199 3.967 6.332) 7.474 7.954 ( -6.989 -4.202 8.289) 11.629 8.255 ( -7.897 3.697 -4.356) 9.747 8.429 ( -2.150 -1.935 -4.224) 5.120 8.667 ( 10.269 -3.733 -2.441) 11.196 8.741 ( 12.401 2.409 6.111) 14.034 8.936 ( -1.896 2.154 24.732) 24.898 9.021 ( 0.548 1.245 19.518) 19.565 9.050 ( 11.389 2.968 19.059) 22.400 9.651 ( -10.352 -6.267 -0.483) 12.110 9.998 ( 0.553 3.285 -3.545) 4.865 10.153 ( 6.438 5.027 0.010) 8.168 10.571 ( 1.880 4.906 0.188) 5.257 10.780 ( 0.660 11.917 3.719) 12.501 11.204 ( 1.495 -8.844 1.370) 9.074 11.329 ( -11.100 -13.522 -0.234) 17.496 12.093 ( -4.706 3.760 -3.094) 6.772 12.323 ( 3.494 8.471 -12.260) 15.306 12.486 ( 1.641 1.453 -7.130) 7.459 12.905 ( 0.625 -6.493 -13.251) 14.770 13.331 ( 6.356 -8.063 4.053) 11.038 13.447 ( 7.820 -6.999 2.682) 10.832 13.745 ( 3.755 4.565 -0.159) 5.913 14.229 ( 1.490 -7.357 2.489) 7.908 15.107 ( 9.504 -2.887 4.426) 10.874 15.249 ( -8.064 -8.225 -5.995) 12.986 15.832 ( -7.878 -10.916 6.210) 14.825 16.608 ( -5.780 -15.219 -5.534) 17.195 17.089 ( -2.796 2.441 -0.000) 3.712 17.285 ( -2.100 5.855 -2.086) 6.561 17.514 ( 1.267 18.621 -2.870) 18.883 18.228 ( 13.474 8.550 -9.680) 18.665 ======================= Grid point 178 (87/205) ======================= q-point: (-0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -22.377 10.196 8.731) 26.094 1.807 ( -27.874 8.536 8.179) 30.277 2.703 ( -28.223 19.585 17.263) 38.446 3.191 ( 3.598 -6.616 2.965) 8.094 3.320 ( -1.388 -1.057 -0.854) 1.942 3.496 ( 3.040 -0.895 -4.526) 5.525 3.732 ( -0.947 -1.397 -1.435) 2.215 3.824 ( -1.008 4.869 -1.375) 5.159 4.413 ( 0.692 -5.345 -4.279) 6.882 4.698 ( 2.884 0.616 3.615) 4.666 4.834 ( 0.424 4.988 2.273) 5.498 5.076 ( 3.843 1.983 -0.537) 4.357 5.974 ( -3.199 1.856 2.978) 4.749 6.189 ( 0.879 0.304 11.822) 11.859 6.379 ( -5.041 6.609 -1.642) 8.473 7.192 ( 0.665 -3.363 -17.598) 17.929 7.771 ( -11.152 -0.039 7.409) 13.389 7.906 ( 0.487 5.530 -1.993) 5.898 8.113 ( -5.105 -1.125 -2.147) 5.651 8.392 ( 0.085 -2.583 -2.007) 3.272 8.739 ( -1.212 -4.766 -7.022) 8.573 8.927 ( -5.271 -2.134 19.554) 20.364 9.047 ( 11.059 3.138 5.662) 12.814 9.107 ( -0.922 0.914 24.322) 24.357 9.309 ( 3.097 -5.801 4.788) 8.134 9.541 ( 1.959 3.687 7.400) 8.496 10.095 ( 10.186 3.053 -2.226) 10.864 10.287 ( 6.879 3.617 2.914) 8.301 10.605 ( 1.635 -0.401 2.476) 2.994 10.891 ( 6.537 12.017 3.312) 14.075 11.114 ( -11.028 -7.616 -3.532) 13.860 11.290 ( 6.178 -8.761 7.905) 13.319 11.876 ( -10.132 8.569 -0.759) 13.292 12.370 ( 3.463 8.440 -1.105) 9.189 12.553 ( 7.989 0.968 -12.630) 14.976 12.867 ( 1.292 -8.146 -12.297) 14.807 13.480 ( 7.153 -9.437 5.235) 12.947 13.669 ( 10.984 -10.289 2.240) 15.216 13.854 ( 9.467 5.154 1.090) 10.834 14.300 ( 3.834 -3.103 5.899) 7.689 15.033 ( -11.475 -7.167 -4.746) 14.337 15.281 ( 6.781 -6.052 1.140) 9.160 15.654 ( -12.741 -11.618 4.452) 17.808 16.397 ( -14.358 -21.785 -6.041) 26.781 17.051 ( -1.387 -0.165 0.905) 1.664 17.248 ( -0.984 5.177 -1.367) 5.444 17.534 ( 2.394 21.559 -3.965) 22.051 18.401 ( 9.477 17.988 -16.105) 25.938 ======================= Grid point 179 (88/205) ======================= q-point: (-0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -9.219 18.400 18.492) 27.668 1.362 ( -19.179 17.183 13.761) 29.197 2.355 ( -18.654 21.809 31.373) 42.519 3.137 ( -4.835 -1.553 -6.219) 8.029 3.342 ( 1.492 -8.947 0.197) 9.073 3.550 ( 2.672 4.207 -3.677) 6.194 3.700 ( 2.241 0.318 -4.815) 5.321 3.876 ( 2.148 1.176 5.847) 6.339 4.393 ( 0.056 -5.952 -5.846) 8.343 4.740 ( -0.049 4.955 0.896) 5.036 4.859 ( 0.915 -1.185 4.650) 4.886 5.136 ( 2.794 2.215 -1.629) 3.920 5.915 ( -2.194 2.052 4.568) 5.467 6.295 ( -0.109 4.322 -1.389) 4.541 6.379 ( 6.999 -1.262 18.472) 19.793 7.119 ( 0.635 -2.846 -20.444) 20.651 7.659 ( -1.317 -0.491 6.079) 6.239 7.892 ( -2.192 2.148 2.046) 3.689 8.045 ( -0.867 1.609 -0.830) 2.007 8.399 ( -0.716 -5.022 -4.591) 6.842 8.596 ( -5.647 0.578 -2.581) 6.236 8.868 ( -7.761 -3.774 13.077) 15.668 9.088 ( -7.959 3.050 8.282) 11.884 9.231 ( 0.961 -1.728 21.470) 21.561 9.401 ( 7.144 3.937 1.661) 8.324 9.715 ( 9.146 -2.213 5.678) 10.990 10.233 ( 3.434 -3.955 3.184) 6.130 10.421 ( -2.622 0.488 -2.213) 3.466 10.593 ( -0.281 2.275 -4.797) 5.316 10.922 ( -0.592 2.976 -4.941) 5.798 11.078 ( 9.891 1.788 10.818) 14.767 11.323 ( -5.375 4.179 2.298) 7.186 12.020 ( 21.170 2.486 9.707) 23.422 12.407 ( 0.752 3.381 -2.719) 4.403 12.647 ( 6.507 1.146 -12.811) 14.415 12.871 ( 5.584 -9.681 -9.521) 14.682 13.643 ( 6.365 -7.472 3.339) 10.368 13.804 ( 4.313 -8.283 6.819) 11.563 14.165 ( 17.890 -1.452 2.660) 18.145 14.376 ( -1.728 -2.581 6.179) 6.916 14.825 ( -5.071 -6.555 0.113) 8.288 15.365 ( 1.456 -7.509 0.045) 7.649 15.418 ( -11.439 -14.074 0.488) 18.143 15.985 ( -25.975 -26.049 -2.508) 36.872 17.040 ( -0.417 -1.195 1.348) 1.849 17.235 ( 0.085 5.048 -0.684) 5.095 17.568 ( 2.875 23.942 -4.601) 24.549 18.411 ( -0.069 30.210 -24.046) 38.612 ======================= Grid point 180 (89/205) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.590 18.723 16.585) 25.019 1.830 ( 4.687 19.480 17.959) 26.906 2.774 ( 1.305 14.121 5.894) 15.357 3.024 ( -3.243 -0.334 4.186) 5.306 3.216 ( 3.156 0.945 5.993) 6.839 3.690 ( 1.830 -0.990 2.673) 3.387 3.758 ( 2.942 8.589 -7.562) 11.816 3.916 ( -2.945 2.709 -0.508) 4.033 4.265 ( 1.060 -4.845 -4.727) 6.851 4.769 ( 0.706 -2.474 -0.739) 2.676 4.878 ( -1.363 2.144 2.990) 3.924 5.175 ( 0.141 0.650 -3.524) 3.586 6.002 ( 0.884 5.344 2.633) 6.023 6.389 ( 2.775 -0.649 2.045) 3.507 6.513 ( 2.915 1.648 7.383) 8.107 6.977 ( 1.511 -4.461 -17.600) 18.219 7.758 ( 5.927 0.830 14.790) 15.955 7.834 ( -3.702 -2.568 9.894) 10.871 8.047 ( -2.826 -10.373 -3.892) 11.434 8.121 ( -4.511 0.314 -4.085) 6.094 8.649 ( 4.349 -3.553 17.760) 18.627 8.784 ( -5.640 7.918 1.944) 9.914 9.054 ( -7.735 1.672 8.353) 11.507 9.324 ( -2.330 1.102 19.004) 19.178 9.495 ( -9.316 -4.775 1.594) 10.589 9.726 ( -0.070 6.210 6.142) 8.735 10.069 ( -3.873 3.267 -2.859) 5.817 10.405 ( 3.860 -0.225 4.993) 6.315 10.753 ( 5.495 3.905 4.348) 8.022 11.106 ( 4.275 -1.645 2.841) 5.391 11.275 ( 1.282 -1.045 10.325) 10.457 11.436 ( 7.550 5.989 -6.895) 11.850 12.215 ( 6.393 -15.719 1.673) 17.051 12.384 ( 1.728 -6.366 -10.238) 12.180 12.592 ( -2.730 9.524 -12.907) 16.271 12.977 ( 10.821 -0.469 -6.556) 12.661 13.483 ( -3.693 -9.773 9.862) 14.367 13.803 ( 8.355 -10.053 10.181) 16.568 14.162 ( -11.779 -0.048 -2.768) 12.100 14.270 ( -4.681 -1.956 -0.372) 5.087 14.638 ( -8.126 -7.113 3.661) 11.403 14.968 ( 4.514 -17.312 -3.614) 18.252 15.242 ( 2.107 -8.195 2.392) 8.793 15.288 ( 1.202 -10.388 -5.203) 11.681 17.114 ( 0.249 6.726 3.776) 7.717 17.350 ( 0.201 4.598 3.451) 5.753 18.082 ( 1.621 22.275 -6.536) 23.271 18.762 ( -3.400 15.047 -25.926) 30.168 ======================= Grid point 181 (90/205) ======================= q-point: ( 0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 6.882 13.210 20.169) 25.073 2.051 ( 10.441 15.207 16.362) 24.658 2.905 ( 9.190 2.508 -0.018) 9.526 3.000 ( -1.343 0.913 6.259) 6.466 3.365 ( 8.085 6.459 9.053) 13.749 3.669 ( -4.848 -2.479 -1.048) 5.544 3.772 ( -0.669 10.760 -3.418) 11.310 3.874 ( 4.249 7.057 -8.148) 11.586 4.262 ( 0.628 -6.212 -6.491) 9.006 4.756 ( -1.087 -2.240 -2.892) 3.816 4.888 ( -0.508 2.250 7.756) 8.092 5.161 ( 0.306 1.027 -3.351) 3.519 6.037 ( 2.124 5.750 -0.518) 6.151 6.432 ( 0.490 -2.821 0.939) 3.013 6.600 ( 4.708 2.490 3.076) 6.151 6.932 ( 1.675 -2.846 -17.183) 17.497 7.741 ( -8.093 -1.978 6.750) 10.722 7.896 ( -5.735 -1.470 7.945) 9.908 8.033 ( 12.057 -3.521 10.544) 16.400 8.157 ( 0.537 -4.690 2.939) 5.561 8.642 ( -5.985 11.105 -4.147) 13.279 8.786 ( -9.862 -6.409 4.814) 12.709 8.950 ( -1.670 -2.275 19.878) 20.077 9.178 ( -8.570 3.851 15.756) 18.344 9.453 ( 1.990 1.221 7.133) 7.505 9.735 ( -4.881 8.386 10.639) 14.399 10.011 ( -2.102 3.263 -2.500) 4.617 10.548 ( 6.489 -4.125 4.185) 8.754 10.843 ( 2.296 4.669 2.988) 6.000 11.050 ( -8.320 2.221 2.198) 8.888 11.378 ( 6.176 -3.133 10.010) 12.172 11.631 ( 11.193 -2.422 -8.099) 14.026 12.155 ( -11.679 1.924 -7.155) 13.831 12.359 ( 0.712 -9.849 -2.725) 10.243 12.565 ( 5.761 -4.998 -13.526) 15.528 13.005 ( -4.719 0.171 -12.734) 13.581 13.543 ( 3.182 -9.507 18.550) 21.086 13.809 ( -11.276 -6.939 7.868) 15.401 13.890 ( -14.210 2.659 -5.245) 15.379 14.101 ( -7.459 0.299 0.804) 7.508 14.583 ( 1.538 -8.510 -2.310) 8.951 14.987 ( 1.153 -21.322 -1.836) 21.432 15.352 ( 7.160 -8.723 3.563) 11.835 15.594 ( 25.490 -12.152 -6.166) 28.904 17.152 ( 2.195 6.895 3.655) 8.107 17.374 ( 0.535 4.546 3.801) 5.950 18.054 ( -1.597 20.565 -5.771) 21.419 18.518 ( -9.750 18.067 -22.559) 30.502 ======================= Grid point 182 (91/205) ======================= q-point: ( 0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 6.362 7.236 22.049) 24.063 2.367 ( 15.249 13.358 11.991) 23.553 2.958 ( -3.003 -4.835 5.548) 7.949 3.132 ( 10.850 1.641 -2.391) 11.231 3.482 ( -4.110 -4.284 1.533) 6.131 3.525 ( -4.359 0.510 -4.590) 6.350 3.824 ( 8.535 15.874 2.730) 18.228 3.980 ( 9.618 8.825 -12.734) 18.236 4.230 ( -1.013 -6.761 -4.314) 8.084 4.693 ( -4.482 -3.828 -2.497) 6.401 4.923 ( 0.599 6.274 8.474) 10.561 5.160 ( 0.803 1.121 -3.473) 3.737 6.080 ( 2.992 6.530 -2.977) 7.775 6.418 ( -1.080 -1.560 -0.303) 1.922 6.734 ( 6.835 0.304 1.724) 7.055 6.888 ( 1.392 -1.766 -15.137) 15.303 7.635 ( -3.169 0.251 0.711) 3.257 7.878 ( -4.130 -1.458 22.355) 22.780 8.064 ( -9.220 -4.502 -4.121) 11.057 8.235 ( 0.297 -2.233 5.796) 6.218 8.543 ( -1.586 8.993 3.082) 9.638 8.567 ( -2.713 7.481 2.182) 8.252 9.027 ( -4.366 -1.513 25.203) 25.623 9.229 ( -1.933 0.016 24.804) 24.879 9.525 ( -3.203 9.947 5.831) 11.966 9.708 ( 4.995 0.929 8.298) 9.730 9.960 ( -1.668 -2.346 -1.676) 3.331 10.601 ( -3.232 -1.103 0.341) 3.432 10.819 ( -9.891 5.430 7.351) 13.467 10.946 ( 0.776 3.681 -5.777) 6.894 11.504 ( 0.080 -4.915 9.481) 10.679 11.738 ( 2.704 -6.639 -9.544) 11.937 11.925 ( -2.317 8.759 -8.561) 12.465 12.356 ( -1.325 -14.401 1.767) 14.569 12.633 ( 3.459 -9.808 -9.918) 14.371 12.743 ( -11.138 -0.012 -18.329) 21.448 13.569 ( -9.489 -2.856 8.118) 12.810 13.613 ( -9.647 4.035 -2.557) 10.765 13.736 ( 1.583 -2.751 9.012) 9.555 14.007 ( -3.551 -1.217 0.500) 3.787 14.555 ( -2.125 -13.879 -5.002) 14.905 15.085 ( 8.355 -13.737 -0.729) 16.095 15.496 ( 5.549 -9.642 4.119) 11.863 16.034 ( 21.153 -17.717 -6.655) 28.383 17.242 ( 5.906 6.031 3.036) 8.971 17.398 ( 0.166 4.483 3.373) 5.613 17.978 ( -3.743 18.084 -4.727) 19.063 18.228 ( -10.636 17.774 -17.253) 26.957 ======================= Grid point 183 (92/205) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 6.705 3.378 20.434) 21.769 2.700 ( 13.209 11.045 7.520) 18.789 2.909 ( -4.483 -5.246 8.631) 11.050 3.224 ( -7.106 3.958 -4.568) 9.329 3.331 ( 0.723 -1.861 -8.564) 8.793 3.528 ( 3.907 -4.131 0.039) 5.686 3.981 ( 3.060 1.201 -2.939) 4.409 4.102 ( 8.245 6.060 -3.693) 10.879 4.234 ( 4.522 2.132 -8.188) 9.594 4.575 ( -5.710 -3.781 -1.447) 7.000 4.979 ( 1.270 9.351 6.331) 11.364 5.141 ( -1.441 0.690 -4.088) 4.389 6.108 ( 1.215 7.259 -5.491) 9.183 6.420 ( 1.130 1.674 1.506) 2.520 6.760 ( -1.733 1.327 -7.630) 7.936 6.951 ( 8.236 -5.819 -1.921) 10.266 7.602 ( -1.930 0.998 -0.346) 2.200 7.892 ( -2.826 -1.137 12.383) 12.752 7.950 ( 0.073 1.655 13.487) 13.588 8.164 ( -4.840 -1.099 4.535) 6.723 8.570 ( 0.750 7.173 5.144) 8.858 8.691 ( 8.224 10.131 6.500) 14.578 9.018 ( -7.595 -0.434 23.488) 24.689 9.242 ( -6.487 1.164 21.974) 22.942 9.373 ( -12.019 18.744 9.526) 24.219 9.853 ( 0.570 -5.895 -5.076) 7.800 10.053 ( 12.541 -9.679 7.449) 17.506 10.457 ( -9.440 6.459 -1.795) 11.578 10.587 ( -14.564 9.073 2.422) 17.329 10.949 ( 0.800 -0.211 -4.283) 4.363 11.409 ( -10.534 -0.128 3.392) 11.067 11.748 ( 1.483 -7.249 -4.195) 8.505 11.971 ( 5.963 1.554 -6.127) 8.690 12.330 ( -6.716 -5.068 -6.965) 10.922 12.347 ( -6.681 -12.620 -9.414) 17.103 12.757 ( 6.460 -9.559 -9.459) 14.919 13.394 ( -7.748 -0.029 -1.839) 7.963 13.513 ( -2.611 6.431 -2.740) 7.462 13.770 ( -1.824 -1.526 6.223) 6.662 13.947 ( -2.715 -6.695 -0.703) 7.259 14.539 ( 2.611 -10.951 0.636) 11.276 15.235 ( 6.763 -7.574 -1.459) 10.259 15.594 ( 2.584 -11.351 4.696) 12.553 16.318 ( 11.291 -17.399 -6.056) 21.608 17.381 ( 1.658 4.969 4.021) 6.603 17.429 ( 6.964 2.181 -0.286) 7.303 17.873 ( -4.914 16.674 -5.718) 18.300 17.987 ( -6.964 15.203 -10.583) 19.790 ======================= Grid point 184 (93/205) ======================= q-point: ( 0.44 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 6.375 0.324 17.610) 18.731 2.778 ( -6.455 2.575 7.611) 10.306 2.878 ( -11.686 0.743 2.346) 11.942 3.091 ( 5.835 3.144 -1.196) 6.735 3.339 ( 2.454 -0.505 -8.036) 8.417 3.610 ( 2.713 -3.091 -2.055) 4.597 4.000 ( 2.103 -3.271 2.102) 4.420 4.177 ( -0.887 -0.761 -13.549) 13.600 4.259 ( 1.161 3.505 -1.512) 3.990 4.549 ( 4.451 2.730 -0.406) 5.237 4.999 ( -2.014 9.376 3.540) 10.222 5.068 ( -3.545 1.259 -4.323) 5.731 6.075 ( -1.294 7.760 -6.626) 10.286 6.452 ( 0.235 3.198 2.523) 4.080 6.711 ( -0.714 3.721 -1.618) 4.120 7.088 ( 6.182 -8.649 -3.853) 11.308 7.597 ( 2.837 0.341 2.336) 3.691 7.939 ( -1.018 -1.460 18.981) 19.065 8.099 ( 8.650 2.972 8.818) 12.705 8.165 ( 2.640 0.389 10.199) 10.542 8.588 ( -1.149 4.845 1.032) 5.085 8.844 ( 3.912 7.589 5.576) 10.198 8.951 ( -8.316 6.351 20.167) 22.720 9.173 ( -10.440 2.402 19.984) 22.674 9.207 ( -9.164 18.383 11.218) 23.404 9.786 ( -4.890 -6.665 -4.085) 9.221 10.182 ( -2.327 -1.757 -6.599) 7.214 10.344 ( -10.686 7.047 1.621) 12.903 10.422 ( 8.329 4.608 6.698) 11.639 10.923 ( -3.237 -8.375 -0.042) 8.979 11.214 ( -8.994 4.010 0.698) 9.872 11.626 ( -11.593 -5.468 -7.881) 15.047 12.065 ( 6.731 1.155 -3.012) 7.464 12.186 ( 4.231 -4.782 -17.510) 18.638 12.367 ( 2.679 -13.620 3.158) 14.235 12.807 ( 2.293 -8.282 -7.172) 11.193 13.277 ( -2.989 -1.060 -4.973) 5.898 13.404 ( -6.586 2.307 -7.644) 10.350 13.765 ( -0.229 0.422 2.632) 2.676 13.921 ( 0.690 -8.952 -0.164) 8.980 14.650 ( 6.596 -6.124 5.764) 10.688 15.314 ( 2.172 -2.621 -2.883) 4.461 15.640 ( -0.044 -13.705 5.521) 14.775 16.432 ( 3.600 -15.287 -5.403) 16.609 17.354 ( -3.576 5.483 1.830) 6.797 17.561 ( 0.747 -0.647 -3.756) 3.884 17.800 ( 3.859 15.946 -4.459) 17.001 17.898 ( 1.684 11.906 -5.046) 13.041 ======================= Grid point 185 (94/205) ======================= q-point: (-0.44 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -17.225 4.777 5.917) 18.830 2.622 ( -10.839 2.576 6.219) 12.759 2.747 ( 3.446 -1.322 11.235) 11.825 3.209 ( 3.594 -7.294 0.516) 8.148 3.368 ( 4.121 4.638 -8.449) 10.483 3.619 ( -0.376 0.309 -1.874) 1.937 3.949 ( -8.241 -1.802 -10.705) 13.629 4.146 ( 4.948 -6.045 -1.826) 8.023 4.239 ( -4.035 8.099 2.098) 9.289 4.645 ( 2.747 5.491 0.579) 6.167 4.950 ( -1.110 2.841 -0.053) 3.051 5.005 ( -1.905 5.978 -0.802) 6.325 6.031 ( -0.425 7.164 -3.669) 8.060 6.424 ( -4.068 3.604 1.241) 5.575 6.694 ( -2.200 5.055 2.262) 5.958 7.141 ( 2.361 -8.181 -8.004) 11.686 7.732 ( 7.970 -1.199 5.893) 9.985 7.983 ( -3.584 -0.359 18.508) 18.855 8.283 ( 8.843 -0.959 4.969) 10.189 8.367 ( 7.682 -0.567 4.866) 9.112 8.529 ( -2.231 4.093 4.194) 6.270 8.814 ( -5.523 10.300 -3.136) 12.101 8.954 ( -2.945 5.169 23.705) 24.440 9.049 ( -9.660 1.666 19.916) 22.198 9.140 ( -2.845 16.771 11.131) 20.329 9.637 ( -8.591 -7.903 0.300) 11.677 10.140 ( -2.289 4.856 -0.793) 5.426 10.229 ( 2.301 7.710 -3.833) 8.912 10.594 ( 3.456 3.468 5.035) 7.022 10.828 ( -3.529 -12.811 0.329) 13.292 11.103 ( -4.295 0.215 0.592) 4.341 11.358 ( -9.948 -3.004 -7.932) 13.073 12.188 ( 5.195 2.653 -1.231) 5.962 12.247 ( 8.566 -3.499 -14.694) 17.365 12.458 ( 5.439 -8.144 0.624) 9.813 12.782 ( -1.588 -7.303 -6.803) 10.106 13.221 ( -0.533 -0.858 -8.950) 9.007 13.255 ( -3.531 -5.798 -3.865) 7.812 13.777 ( 0.876 2.732 0.701) 2.953 13.971 ( 4.075 -8.598 0.755) 9.545 14.814 ( 6.930 -6.068 6.930) 11.527 15.292 ( -2.635 0.689 -4.258) 5.055 15.637 ( -3.041 -15.040 5.747) 16.385 16.419 ( -2.429 -15.121 -5.785) 16.371 17.273 ( -5.075 5.749 0.223) 7.672 17.472 ( -4.692 3.731 -2.980) 6.694 17.847 ( 2.260 15.090 -3.075) 15.565 18.084 ( 16.646 6.603 -5.412) 18.708 ======================= Grid point 186 (95/205) ======================= q-point: (-0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -18.919 9.905 4.421) 21.808 2.374 ( -17.740 7.543 7.567) 20.709 2.888 ( 4.309 -7.214 9.526) 12.702 3.251 ( 0.405 -8.431 3.589) 9.172 3.387 ( -1.080 4.324 -8.550) 9.642 3.529 ( -6.315 7.237 -6.443) 11.566 3.770 ( -3.866 -0.200 -5.767) 6.946 4.120 ( -8.195 13.742 3.328) 16.342 4.239 ( 4.030 -7.957 -0.691) 8.946 4.656 ( -0.507 3.540 2.565) 4.401 4.956 ( -0.690 -1.552 0.389) 1.743 5.026 ( 5.099 7.625 -0.752) 9.203 6.032 ( 0.872 5.818 1.413) 6.050 6.315 ( -7.184 3.863 0.834) 8.200 6.627 ( -5.634 5.559 2.191) 8.213 7.125 ( 0.604 -8.033 -10.804) 13.476 7.890 ( 3.032 -0.934 3.900) 5.027 7.954 ( -4.787 1.710 13.494) 14.420 8.253 ( -10.271 -0.190 -6.112) 11.954 8.417 ( 1.088 0.555 1.539) 1.965 8.727 ( 1.874 6.598 -7.414) 10.100 8.748 ( 10.306 -1.558 11.652) 15.634 8.982 ( -6.193 1.401 26.059) 26.821 9.015 ( -2.313 -1.441 22.870) 23.031 9.197 ( 3.251 12.077 10.417) 16.277 9.526 ( -2.204 -3.360 5.586) 6.881 10.076 ( -1.669 3.514 -1.283) 4.097 10.371 ( 10.584 12.913 -3.750) 17.112 10.540 ( -7.587 -5.446 8.240) 12.455 10.889 ( 5.916 -5.452 -2.348) 8.381 11.000 ( -5.850 -9.171 1.658) 11.004 11.241 ( 1.201 5.813 -4.691) 7.566 12.184 ( -5.179 4.089 -3.088) 7.286 12.363 ( 8.486 -2.450 -11.579) 14.563 12.568 ( 5.719 2.835 -2.186) 6.747 12.707 ( -1.630 -8.630 -8.142) 11.976 13.213 ( 4.535 -4.129 -6.775) 9.139 13.263 ( 4.364 -10.985 0.828) 11.849 13.818 ( 3.567 3.100 0.148) 4.728 14.075 ( 6.002 -6.265 2.338) 8.985 14.946 ( 2.974 -9.725 4.916) 11.296 15.189 ( -5.311 1.996 -4.253) 7.091 15.563 ( -7.224 -14.435 4.849) 16.855 16.278 ( -9.703 -17.203 -6.776) 20.881 17.179 ( -4.385 6.035 0.760) 7.498 17.393 ( -2.955 4.295 -0.148) 5.215 17.895 ( 4.495 17.447 -4.318) 18.527 18.398 ( 18.396 6.627 -8.901) 21.484 ======================= Grid point 187 (96/205) ======================= q-point: (-0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -13.697 16.729 7.856) 23.004 2.030 ( -20.592 13.088 8.793) 25.936 2.956 ( -1.600 -7.107 1.605) 7.459 3.172 ( -12.106 9.812 1.754) 15.682 3.249 ( -3.140 -2.285 5.183) 6.476 3.510 ( 4.259 2.202 -3.928) 6.199 3.731 ( 0.926 1.732 -3.386) 3.914 3.988 ( -5.592 11.778 1.391) 13.112 4.289 ( 1.220 -6.647 -1.008) 6.833 4.678 ( 1.585 -0.141 2.849) 3.263 4.942 ( -1.325 1.054 1.779) 2.456 5.122 ( 4.857 4.221 -3.126) 7.154 6.050 ( -2.230 5.166 4.745) 7.360 6.212 ( -1.828 2.083 4.304) 5.119 6.519 ( -5.677 6.093 1.826) 8.526 7.080 ( 0.429 -7.633 -13.723) 15.708 7.793 ( -9.726 2.474 6.823) 12.135 7.974 ( -3.098 -0.542 3.107) 4.421 8.066 ( -4.481 -2.038 -4.323) 6.552 8.421 ( 0.193 5.794 4.087) 7.093 8.621 ( -7.002 -7.941 -9.704) 14.361 8.937 ( -4.310 3.196 23.166) 23.779 9.043 ( 2.066 -4.131 19.090) 19.641 9.129 ( 6.672 -0.117 14.033) 15.539 9.277 ( 1.639 6.226 4.858) 8.066 9.621 ( 5.282 4.690 10.894) 12.984 10.122 ( 5.976 0.101 -0.211) 5.981 10.415 ( -1.829 1.745 9.413) 9.746 10.593 ( 5.761 3.069 -4.280) 7.805 10.911 ( -1.699 -8.375 -4.746) 9.775 10.936 ( -0.459 -3.593 8.996) 9.698 11.376 ( 12.486 8.402 -4.216) 15.629 12.011 ( -8.805 4.905 -0.586) 10.096 12.435 ( 2.939 -3.740 -10.445) 11.477 12.638 ( 4.776 5.508 -4.742) 8.697 12.691 ( 2.784 -3.634 -7.792) 9.037 13.322 ( 8.515 -7.281 -0.575) 11.218 13.409 ( 8.114 -13.394 1.191) 15.705 13.933 ( 8.760 2.976 0.793) 9.286 14.218 ( 6.942 -4.326 3.873) 9.050 14.900 ( -8.361 -5.775 -1.642) 10.293 15.116 ( -1.555 -7.041 0.002) 7.211 15.406 ( -10.302 -11.834 3.181) 16.009 15.980 ( -18.030 -18.979 -6.656) 27.011 17.121 ( -2.333 6.337 2.432) 7.177 17.352 ( -1.635 4.469 1.450) 4.974 17.974 ( 5.674 20.388 -5.636) 21.900 18.683 ( 15.858 8.221 -15.456) 23.621 ======================= Grid point 188 (97/205) ======================= q-point: (-0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -12.302 17.345 13.398) 25.134 1.746 ( -5.071 23.245 12.826) 27.029 2.826 ( -8.330 13.318 3.911) 16.188 3.075 ( -3.116 -3.533 3.976) 6.165 3.194 ( -2.952 -0.022 3.803) 4.814 3.605 ( 5.127 -0.416 2.203) 5.596 3.744 ( 1.734 5.734 -4.950) 7.771 3.938 ( -0.643 5.585 1.180) 5.744 4.281 ( -0.708 -5.019 -2.725) 5.755 4.732 ( 2.350 -2.742 2.539) 4.414 4.913 ( -2.347 2.773 0.862) 3.734 5.173 ( 2.139 1.846 -4.228) 5.086 5.999 ( -2.750 5.803 4.394) 7.781 6.294 ( 4.835 -2.107 7.784) 9.402 6.458 ( -1.219 6.217 4.026) 7.506 7.027 ( 0.980 -6.255 -16.233) 17.424 7.677 ( -3.719 2.508 8.013) 9.183 7.889 ( -5.484 -1.716 6.656) 8.794 8.028 ( 0.550 -4.670 -1.844) 5.051 8.355 ( -9.084 -2.544 -12.668) 15.795 8.525 ( 0.377 -1.536 14.337) 14.424 8.884 ( -7.269 3.691 11.099) 13.771 9.128 ( -2.161 -1.030 9.884) 10.169 9.243 ( -0.974 3.455 19.781) 20.104 9.417 ( 9.528 -0.020 6.049) 11.286 9.742 ( 1.556 4.412 6.715) 8.184 10.156 ( -3.217 -1.256 4.567) 5.726 10.472 ( -9.708 -4.088 -8.812) 13.734 10.577 ( 10.157 3.705 7.643) 13.240 10.970 ( 6.872 -1.522 0.277) 7.044 11.067 ( 9.617 1.087 10.208) 14.067 11.487 ( -1.756 7.800 -5.218) 9.547 12.008 ( 9.533 -3.771 2.934) 10.663 12.406 ( 0.068 -7.684 -9.624) 12.315 12.680 ( -0.816 7.079 -6.932) 9.941 12.773 ( 11.017 0.776 -6.246) 12.688 13.498 ( 3.382 -8.172 -1.835) 9.032 13.546 ( 9.840 -12.348 9.404) 18.377 14.159 ( 12.467 -0.055 0.751) 12.490 14.316 ( -1.097 -2.651 2.828) 4.029 14.728 ( -6.008 -2.668 0.291) 6.580 15.033 ( -7.172 -15.630 -2.610) 17.394 15.255 ( -4.946 -8.259 1.849) 9.803 15.561 ( -20.967 -16.942 -4.783) 27.377 17.105 ( -0.882 6.493 3.442) 7.402 17.340 ( -0.585 4.574 2.604) 5.296 18.050 ( 4.538 22.274 -6.492) 23.641 18.833 ( 7.559 10.872 -23.050) 26.583 ======================= Grid point 189 (98/205) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -1.724 15.949 14.083) 21.347 2.215 ( 0.933 16.210 10.026) 19.083 2.729 ( 1.459 -8.537 2.775) 9.095 2.922 ( 0.921 -8.292 -0.371) 8.351 3.471 ( 2.784 11.731 6.139) 13.530 3.649 ( 1.988 -1.935 1.292) 3.060 3.938 ( 3.640 6.129 -4.377) 8.365 4.030 ( -0.954 6.856 -3.764) 7.879 4.214 ( -0.728 2.922 -0.700) 3.092 4.657 ( 0.867 -8.208 -1.978) 8.487 4.960 ( -1.020 5.855 2.036) 6.282 5.174 ( -0.369 -1.393 -2.025) 2.486 6.125 ( 1.031 6.103 1.828) 6.453 6.325 ( 2.809 -3.984 1.541) 5.112 6.600 ( 2.404 5.167 1.435) 5.877 6.859 ( 2.246 -6.853 -11.337) 13.437 7.753 ( -1.230 -1.569 5.227) 5.594 7.801 ( -5.519 -0.861 19.085) 19.885 7.913 ( 2.191 -1.780 0.999) 2.994 8.061 ( -0.594 -5.013 0.263) 5.055 8.617 ( -1.311 0.922 13.241) 13.337 8.828 ( -7.474 -5.758 12.024) 15.284 9.181 ( -6.126 12.119 3.040) 13.915 9.372 ( 1.031 3.970 17.972) 18.435 9.463 ( -10.366 -0.331 10.448) 14.721 9.712 ( -1.958 -5.736 5.707) 8.325 10.283 ( 0.733 15.192 1.159) 15.254 10.447 ( 3.760 5.558 2.663) 7.219 10.832 ( 4.488 0.711 12.215) 13.033 10.935 ( 6.083 -12.719 3.570) 14.544 11.203 ( -1.416 -3.433 4.908) 6.155 11.479 ( 1.901 -6.045 -8.236) 10.392 12.003 ( 3.311 -0.465 -0.190) 3.349 12.244 ( 3.330 -6.322 -10.248) 12.493 12.822 ( -2.766 9.630 -12.112) 15.719 12.965 ( 7.463 -0.585 -4.194) 8.581 13.365 ( -0.549 -1.582 7.791) 7.969 13.597 ( 8.635 -10.075 4.822) 14.118 14.165 ( -8.041 0.311 -4.180) 9.068 14.230 ( -5.493 -2.274 -1.626) 6.163 14.582 ( -6.737 0.531 -0.618) 6.786 14.700 ( -3.066 -7.487 -3.034) 8.640 15.068 ( 2.727 -7.684 -1.999) 8.395 15.093 ( 7.296 -8.446 -5.011) 12.234 17.267 ( -0.043 7.248 5.508) 9.103 17.411 ( -0.242 0.981 5.505) 5.597 18.490 ( 1.036 17.196 -9.179) 19.520 18.893 ( -1.057 -0.711 -19.126) 19.168 ======================= Grid point 190 (99/205) ======================= q-point: ( 0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 1.859 12.386 17.435) 21.467 2.329 ( 6.267 9.270 10.952) 15.657 2.814 ( 4.907 -4.616 4.838) 8.294 2.979 ( 5.933 -4.310 -2.248) 7.670 3.514 ( -2.082 5.486 4.735) 7.540 3.638 ( -3.207 -1.115 -1.742) 3.817 4.002 ( 5.853 3.885 -6.002) 9.240 4.032 ( 2.853 9.197 -4.520) 10.637 4.199 ( -0.084 4.276 -2.875) 5.153 4.655 ( -0.022 -7.690 -4.672) 8.998 4.970 ( 1.021 6.060 4.703) 7.738 5.169 ( 0.604 -0.883 -1.567) 1.898 6.163 ( 2.463 6.170 -0.800) 6.692 6.366 ( 1.452 -3.641 -0.978) 4.040 6.667 ( 4.070 3.731 -0.071) 5.522 6.851 ( 2.069 -4.857 -11.383) 12.547 7.694 ( -5.060 -1.286 9.237) 10.610 7.817 ( -3.107 -5.309 14.536) 15.784 8.028 ( 4.818 2.691 4.177) 6.921 8.115 ( 4.407 -0.984 4.842) 6.621 8.691 ( -5.744 -2.991 6.862) 9.436 8.728 ( 3.602 -3.236 7.304) 8.763 9.041 ( -10.358 10.916 14.155) 20.659 9.244 ( -11.849 1.933 14.515) 18.837 9.483 ( 1.016 2.705 11.575) 11.930 9.737 ( -0.003 -5.111 7.103) 8.751 10.250 ( -6.585 15.326 3.881) 17.126 10.529 ( 4.109 2.584 1.015) 4.959 10.931 ( -0.758 0.724 13.350) 13.392 11.002 ( -0.823 -3.021 3.297) 4.546 11.233 ( 4.859 -9.271 5.129) 11.656 11.498 ( 2.013 -11.224 -5.711) 12.753 12.070 ( 3.548 -0.415 -0.688) 3.638 12.274 ( 3.780 -5.763 -9.859) 12.029 12.631 ( -10.052 10.282 -16.801) 22.115 12.976 ( -4.112 -3.734 -14.227) 15.273 13.434 ( 2.982 -0.686 16.506) 16.787 13.660 ( -4.295 -8.192 8.868) 12.814 13.932 ( -12.363 1.833 -5.371) 13.603 14.065 ( -8.392 -3.997 -1.857) 9.479 14.516 ( -1.555 0.729 -4.945) 5.234 14.673 ( 5.717 -8.428 -3.973) 10.931 15.192 ( 8.608 -5.429 -0.115) 10.178 15.358 ( 19.119 -10.812 -5.437) 22.627 17.303 ( 1.315 6.979 5.442) 8.947 17.436 ( 0.198 1.120 5.724) 5.836 18.424 ( -3.532 15.150 -8.643) 17.796 18.718 ( -7.973 2.632 -17.837) 19.714 ======================= Grid point 191 (100/205) ======================= q-point: ( 0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 2.862 8.903 18.978) 21.157 2.535 ( 8.668 0.129 13.168) 15.765 2.913 ( 2.766 3.225 4.439) 6.145 3.141 ( 11.322 -1.710 -3.217) 11.894 3.439 ( -5.995 0.201 1.543) 6.194 3.522 ( -6.769 -0.637 -4.515) 8.162 4.041 ( -0.146 1.439 -7.073) 7.220 4.114 ( 8.476 1.324 -7.819) 11.608 4.216 ( 3.649 10.623 -4.006) 11.925 4.602 ( -2.813 -5.401 -6.823) 9.145 5.038 ( 2.922 5.357 6.655) 9.029 5.177 ( 0.693 0.090 -1.886) 2.011 6.213 ( 3.395 6.260 -2.497) 7.547 6.390 ( 2.054 -1.765 -1.130) 2.934 6.749 ( 4.466 1.208 -1.254) 4.794 6.836 ( 1.192 -2.936 -10.027) 10.516 7.669 ( -1.957 2.598 8.169) 8.793 7.823 ( -3.055 -3.781 16.390) 17.096 8.021 ( -3.777 1.097 -0.939) 4.043 8.177 ( -3.008 -3.592 4.294) 6.355 8.689 ( 5.576 7.400 11.619) 14.861 8.810 ( -2.652 10.653 6.843) 12.936 8.978 ( -5.201 -2.135 24.169) 24.814 9.208 ( 0.787 -3.013 18.392) 18.654 9.543 ( 2.039 -0.333 6.759) 7.068 9.761 ( -0.075 -2.576 4.459) 5.150 10.087 ( -10.688 13.726 3.260) 17.700 10.553 ( -3.724 -3.947 4.082) 6.790 10.930 ( -3.442 4.537 9.019) 10.666 11.000 ( -1.066 6.001 0.639) 6.129 11.364 ( 3.021 -9.821 9.959) 14.309 11.502 ( 2.069 -15.313 -5.170) 16.294 12.128 ( 3.501 3.794 -4.317) 6.730 12.210 ( -9.290 5.618 -12.174) 16.311 12.422 ( -0.813 -7.681 -9.865) 12.529 12.707 ( -13.070 -5.117 -20.500) 24.845 13.527 ( -3.174 -0.659 8.791) 9.370 13.633 ( -0.605 -3.922 11.069) 11.759 13.707 ( -7.064 2.188 -5.513) 9.224 13.901 ( -7.565 -8.120 -2.023) 11.280 14.473 ( 0.627 4.878 -3.596) 6.093 14.859 ( 12.255 -9.419 -2.448) 15.649 15.349 ( 7.109 -2.659 -0.276) 7.595 15.697 ( 17.641 -15.271 -6.386) 24.191 17.368 ( 3.227 5.691 4.721) 8.068 17.464 ( 0.081 1.568 5.154) 5.388 18.294 ( -5.895 12.337 -7.427) 15.560 18.462 ( -10.513 5.471 -14.470) 18.704 ======================= Grid point 192 (101/205) ======================= q-point: ( 0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 3.748 6.164 18.868) 20.200 2.719 ( 2.177 -8.857 15.686) 18.145 2.970 ( 2.068 11.294 1.589) 11.591 3.283 ( -4.343 -0.020 -5.449) 6.968 3.322 ( 0.425 1.002 -4.952) 5.070 3.437 ( 3.206 -4.506 1.046) 5.628 3.996 ( -0.281 2.530 -6.740) 7.205 4.236 ( 5.934 -3.113 -8.776) 11.042 4.257 ( 2.797 7.862 -8.214) 11.709 4.520 ( -0.953 -2.615 -4.801) 5.549 5.108 ( 1.146 3.586 2.611) 4.581 5.170 ( -0.408 2.008 -1.463) 2.518 6.260 ( 2.403 7.280 -3.943) 8.620 6.443 ( 3.370 -0.152 0.357) 3.393 6.783 ( -0.165 0.973 -4.288) 4.400 6.853 ( 4.254 -3.489 -2.936) 6.236 7.650 ( -2.502 3.337 2.262) 4.745 7.832 ( -2.448 -4.384 12.101) 13.102 8.008 ( 2.635 3.818 10.165) 11.173 8.135 ( -2.535 -1.709 8.444) 8.981 8.755 ( -3.992 8.563 15.717) 18.338 8.910 ( 4.316 10.546 8.664) 14.315 8.992 ( -3.069 -0.797 29.179) 29.351 9.285 ( -1.433 3.096 9.528) 10.120 9.627 ( 0.806 -2.097 5.644) 6.074 9.768 ( -1.109 -4.770 -2.090) 5.324 9.943 ( -2.515 8.322 6.497) 10.853 10.454 ( -7.283 -5.870 5.713) 10.961 10.838 ( -9.635 13.269 2.805) 16.636 10.949 ( -3.891 3.921 0.039) 5.524 11.387 ( -4.792 -4.729 4.665) 8.191 11.548 ( 3.048 -13.604 -2.960) 14.253 11.977 ( -4.560 -0.439 -9.440) 10.493 12.190 ( 1.133 3.103 -5.064) 6.046 12.224 ( -11.259 -7.534 -12.545) 18.463 12.569 ( 6.021 -9.138 -12.672) 16.744 13.406 ( -7.729 1.169 -3.391) 8.521 13.575 ( -7.668 -3.632 -7.039) 11.024 13.669 ( 0.644 -1.605 6.530) 6.755 13.820 ( -0.574 -6.133 2.713) 6.731 14.526 ( 5.059 8.315 1.138) 9.799 15.070 ( 9.755 -11.245 -0.278) 14.890 15.451 ( 3.713 0.798 -1.109) 3.956 15.954 ( 11.729 -17.767 -6.835) 22.360 17.462 ( 3.367 2.897 4.069) 6.023 17.479 ( 0.208 2.195 3.045) 3.760 18.152 ( -5.214 10.057 -6.687) 13.155 18.220 ( -8.078 7.159 -9.975) 14.697 ======================= Grid point 193 (102/205) ======================= q-point: ( 0.44 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 3.220 3.103 17.620) 18.179 2.732 ( -6.979 -5.236 14.791) 17.172 2.961 ( -5.697 5.375 -1.501) 7.975 3.107 ( -5.078 -1.021 -4.587) 6.919 3.391 ( 6.622 4.104 -2.952) 8.331 3.542 ( 5.123 -3.463 -1.408) 6.342 3.990 ( 1.804 2.119 -4.482) 5.276 4.130 ( -5.933 -2.997 -18.762) 19.904 4.335 ( 3.865 4.642 1.730) 6.284 4.579 ( 7.474 -2.534 -4.039) 8.866 5.080 ( -3.392 3.522 -1.598) 5.144 5.160 ( -1.153 3.427 0.736) 3.690 6.258 ( -0.282 9.552 -5.423) 10.987 6.498 ( 1.312 0.443 0.866) 1.633 6.768 ( -0.166 2.008 0.460) 2.067 6.919 ( 3.278 -7.014 -2.220) 8.054 7.645 ( 2.062 3.784 2.244) 4.859 7.862 ( 0.319 -5.505 11.560) 12.808 8.154 ( 4.373 2.282 11.417) 12.437 8.183 ( 4.605 1.099 12.606) 13.466 8.747 ( -3.937 8.555 11.617) 14.955 8.935 ( -4.713 0.280 20.213) 20.757 9.074 ( -4.597 8.014 23.675) 25.414 9.257 ( -4.246 5.996 2.308) 7.701 9.561 ( -6.378 11.481 0.492) 13.143 9.677 ( -7.455 -6.214 4.504) 10.699 10.062 ( 8.518 -2.757 1.284) 9.045 10.365 ( -4.858 -4.666 6.036) 9.045 10.659 ( -5.928 13.246 -0.668) 14.528 10.843 ( -7.730 2.441 1.958) 8.340 11.225 ( -10.681 -1.937 -2.643) 11.172 11.499 ( -7.163 -9.049 -7.059) 13.529 11.970 ( 3.654 -8.001 -1.443) 8.914 12.024 ( 4.491 -9.357 -10.402) 14.694 12.289 ( 6.663 5.793 -4.521) 9.920 12.643 ( 5.336 -8.383 -8.527) 13.094 13.246 ( -6.382 -1.295 -7.268) 9.759 13.367 ( -8.703 -4.656 -9.670) 13.818 13.731 ( 3.168 -0.055 3.357) 4.616 13.839 ( 0.665 -3.050 3.045) 4.361 14.650 ( 5.972 7.069 4.361) 10.230 15.221 ( 5.571 -12.782 1.459) 14.019 15.479 ( -0.110 4.573 -2.314) 5.126 16.082 ( 4.686 -18.317 -7.024) 20.169 17.452 ( -2.966 3.967 2.603) 5.596 17.539 ( 0.966 -0.949 0.610) 1.485 18.067 ( 0.903 9.311 -6.230) 11.240 18.103 ( -0.313 7.084 -5.416) 8.922 ======================= Grid point 194 (103/205) ======================= q-point: (-0.44 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -11.681 2.139 14.502) 18.744 2.652 ( -0.400 -0.784 8.928) 8.971 2.788 ( -9.179 5.654 2.396) 11.044 3.055 ( -0.736 -7.037 -1.123) 7.164 3.485 ( 4.025 5.864 -6.826) 9.858 3.638 ( 5.648 0.484 0.033) 5.669 3.893 ( -8.423 -1.867 -16.336) 18.474 4.020 ( 2.044 -5.460 -5.669) 8.132 4.413 ( 2.539 8.104 3.208) 9.078 4.700 ( 5.358 -3.129 -3.270) 7.014 4.993 ( -5.074 5.766 1.320) 7.793 5.131 ( -1.572 3.125 1.557) 3.829 6.221 ( -0.906 10.767 -4.490) 11.701 6.483 ( -3.152 1.206 -0.096) 3.376 6.761 ( -2.177 1.691 3.013) 4.084 6.949 ( 1.055 -9.437 -3.766) 10.215 7.749 ( 6.516 2.448 4.268) 8.164 7.926 ( 0.067 -4.738 12.040) 12.939 8.290 ( 6.312 1.896 8.140) 10.473 8.365 ( 7.028 -0.425 6.365) 9.491 8.680 ( -6.668 9.382 7.411) 13.690 8.939 ( -4.313 0.182 22.618) 23.026 9.034 ( -9.655 3.644 24.532) 26.614 9.088 ( -12.599 2.140 -2.112) 12.952 9.479 ( -2.430 12.987 2.525) 13.452 9.560 ( -6.525 0.851 11.002) 12.820 10.189 ( 0.781 0.602 -1.437) 1.742 10.312 ( 1.378 -1.612 4.382) 4.868 10.661 ( -0.555 -0.721 -1.272) 1.564 10.699 ( -2.504 5.388 3.872) 7.092 11.011 ( -9.044 -3.420 -3.810) 10.392 11.321 ( -5.361 -5.855 -7.942) 11.229 12.097 ( 8.692 -6.176 0.004) 10.663 12.163 ( 10.914 -7.835 -8.144) 15.711 12.412 ( 7.854 5.605 -3.914) 10.412 12.684 ( 2.660 -3.925 -7.749) 9.084 13.097 ( -5.192 -5.701 -7.249) 10.584 13.189 ( -4.788 -4.054 -10.543) 12.269 13.807 ( 3.175 0.894 2.094) 3.907 13.882 ( 3.086 -1.976 2.871) 4.655 14.772 ( 4.069 3.943 5.396) 7.824 15.291 ( 0.562 -14.783 2.973) 15.089 15.426 ( -3.851 8.346 -4.285) 10.142 16.070 ( -2.753 -18.393 -7.456) 20.036 17.387 ( -4.386 5.195 1.450) 6.952 17.506 ( -3.377 -0.079 0.250) 3.387 18.101 ( 4.570 9.401 -4.574) 11.410 18.206 ( 12.575 4.046 -5.499) 14.309 ======================= Grid point 195 (104/205) ======================= q-point: (-0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -12.948 9.420 8.502) 18.129 2.563 ( -10.894 10.262 2.449) 15.165 2.734 ( -1.652 -7.073 11.292) 13.427 3.052 ( -0.373 -10.455 2.491) 10.754 3.483 ( -0.596 5.058 -8.943) 10.292 3.668 ( -6.080 2.812 -13.557) 15.122 3.738 ( 3.983 1.058 -2.065) 4.609 4.059 ( 3.735 -8.575 -2.331) 9.639 4.423 ( -3.349 12.604 2.104) 13.210 4.720 ( -1.656 -0.740 -2.163) 2.823 4.934 ( -1.765 3.900 4.639) 6.312 5.140 ( 1.358 1.606 3.244) 3.866 6.192 ( -0.648 9.378 -1.984) 9.608 6.386 ( -6.251 2.269 -0.930) 6.714 6.700 ( -5.133 1.954 2.716) 6.127 6.930 ( -0.504 -10.158 -6.031) 11.824 7.885 ( 4.212 0.172 2.956) 5.149 7.942 ( -3.126 -2.079 9.481) 10.197 8.310 ( -10.922 5.590 -2.625) 12.547 8.469 ( 6.112 3.067 1.894) 7.095 8.693 ( -3.717 -2.961 9.058) 10.229 8.792 ( -4.982 -1.820 -0.726) 5.353 8.975 ( -3.532 0.106 27.255) 27.483 9.010 ( -6.246 -0.118 27.797) 28.491 9.474 ( 0.668 11.830 3.543) 12.367 9.572 ( 2.539 7.517 13.316) 15.500 10.123 ( -3.107 1.813 -0.753) 3.675 10.384 ( -2.216 -6.527 8.560) 10.990 10.625 ( 5.088 7.742 -4.948) 10.503 10.744 ( -0.712 -7.693 -1.852) 7.945 10.902 ( -0.904 2.032 2.784) 3.563 11.264 ( 3.388 -6.122 -6.341) 9.442 12.216 ( 1.039 -0.883 -0.987) 1.683 12.307 ( 6.887 -2.765 -9.619) 12.149 12.555 ( 9.307 2.749 -4.804) 10.829 12.701 ( 3.767 3.244 -8.453) 9.807 13.033 ( 1.941 -10.076 -2.352) 10.527 13.103 ( 0.663 -7.315 -9.035) 11.644 13.879 ( 4.048 2.789 1.757) 5.220 13.987 ( 6.187 -2.863 3.025) 7.458 14.841 ( 0.530 0.826 4.558) 4.662 15.249 ( -7.705 -11.622 4.185) 14.558 15.311 ( -4.373 5.778 -6.459) 9.707 15.910 ( -10.324 -18.241 -8.029) 22.445 17.313 ( -3.783 6.386 2.153) 7.729 17.446 ( -2.980 0.724 1.803) 3.558 18.206 ( 8.243 12.580 -5.588) 16.045 18.470 ( 16.718 0.128 -7.939) 18.508 ======================= Grid point 196 (105/205) ======================= q-point: (-0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -9.849 13.992 9.721) 19.679 2.347 ( -11.715 16.950 3.746) 20.942 2.740 ( -2.018 -11.150 7.379) 13.522 3.029 ( -3.556 -12.059 1.002) 12.613 3.419 ( -1.755 6.587 -2.279) 7.188 3.550 ( -0.499 0.424 -8.700) 8.725 3.810 ( 4.565 6.010 -2.955) 8.105 4.110 ( 1.258 -6.478 -1.384) 6.742 4.325 ( -5.996 14.243 1.203) 15.501 4.671 ( -1.847 -2.247 -0.751) 3.004 4.946 ( 0.111 3.090 5.102) 5.966 5.185 ( 1.407 -0.270 1.872) 2.357 6.171 ( -2.084 6.312 2.091) 6.968 6.266 ( -4.202 2.501 -0.938) 4.979 6.612 ( -4.306 3.469 2.075) 5.906 6.892 ( 0.142 -9.981 -8.362) 13.022 7.865 ( -5.775 3.443 5.712) 8.822 7.936 ( -2.375 -1.989 1.574) 3.475 8.054 ( -11.350 2.312 -1.771) 11.718 8.416 ( -14.080 -11.292 -2.974) 18.292 8.573 ( 1.144 7.923 9.559) 12.468 8.912 ( -1.403 -7.652 16.749) 18.467 9.030 ( 0.105 4.126 24.629) 24.973 9.102 ( 4.602 -1.218 18.468) 19.071 9.514 ( 0.781 13.307 3.590) 13.805 9.734 ( 5.660 5.087 12.550) 14.677 10.120 ( 2.941 1.380 0.801) 3.346 10.380 ( 0.758 -1.109 9.482) 9.576 10.601 ( -4.530 -5.125 -5.615) 8.849 10.785 ( 3.597 -6.847 -2.318) 8.074 10.970 ( 6.364 8.313 6.215) 12.175 11.379 ( 9.122 -7.721 -4.673) 12.832 12.113 ( -7.841 5.509 -4.149) 10.442 12.327 ( -0.444 -4.674 -9.237) 10.362 12.700 ( 8.127 6.098 -10.094) 14.322 12.783 ( 7.294 5.390 -3.840) 9.849 13.120 ( 5.385 -10.576 3.761) 12.450 13.181 ( 11.009 -10.407 -7.038) 16.704 13.994 ( 7.337 3.201 1.778) 8.200 14.135 ( 7.443 -3.681 3.135) 8.876 14.823 ( -3.852 -0.208 1.355) 4.089 15.055 ( -12.139 -2.133 0.639) 12.341 15.197 ( -5.854 -5.235 -3.103) 8.444 15.613 ( -16.339 -16.784 -8.082) 24.779 17.267 ( -2.264 7.013 3.737) 8.263 17.410 ( -1.941 0.875 3.341) 3.961 18.348 ( 8.864 15.811 -7.230) 19.515 18.740 ( 15.009 -2.195 -12.345) 19.557 ======================= Grid point 197 (106/205) ======================= q-point: (-0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -7.982 15.811 11.777) 21.269 2.207 ( -4.489 20.346 6.967) 21.970 2.726 ( -1.761 -11.464 3.831) 12.214 2.948 ( -3.413 -10.011 -0.654) 10.597 3.411 ( 0.687 10.337 2.975) 10.779 3.575 ( 4.196 -1.694 -0.184) 4.528 3.882 ( 4.158 6.565 -3.487) 8.518 4.082 ( -2.398 2.015 -2.686) 4.127 4.246 ( -2.749 7.156 0.729) 7.700 4.652 ( 0.052 -5.873 -0.807) 5.929 4.965 ( -0.430 4.321 3.784) 5.760 5.194 ( -0.467 -1.134 -1.415) 1.872 6.125 ( -2.504 5.809 3.272) 7.122 6.260 ( 2.235 -1.332 2.251) 3.440 6.573 ( -0.566 5.156 1.772) 5.482 6.868 ( 1.533 -8.808 -10.137) 13.517 7.769 ( -5.782 6.455 7.367) 11.374 7.860 ( -4.825 -0.735 6.230) 7.915 7.923 ( -3.248 -4.331 -0.789) 5.471 8.171 ( -9.845 -11.667 -1.086) 15.304 8.609 ( -2.633 5.899 13.446) 14.917 8.895 ( -6.415 -5.374 17.305) 19.223 9.166 ( 4.143 6.297 11.122) 13.435 9.263 ( 2.082 -0.306 17.984) 18.107 9.522 ( -2.119 8.366 8.299) 11.973 9.792 ( -4.249 -1.630 3.659) 5.839 10.221 ( 4.418 8.024 8.786) 12.692 10.407 ( -0.483 2.594 -8.188) 8.602 10.640 ( 8.658 -2.406 13.056) 15.849 10.829 ( 3.054 -9.959 -0.106) 10.417 11.135 ( 6.047 4.383 5.418) 9.227 11.489 ( 3.102 -8.599 -6.436) 11.180 11.982 ( -2.334 4.616 -2.027) 5.555 12.260 ( -0.433 -5.820 -10.742) 12.225 12.820 ( 8.180 4.096 -4.459) 10.177 12.861 ( 2.676 7.231 -7.010) 10.421 13.291 ( 7.195 -8.321 6.013) 12.537 13.369 ( 11.605 -7.882 -3.878) 14.554 14.162 ( 8.033 0.783 0.644) 8.097 14.260 ( 2.598 -3.072 1.636) 4.343 14.718 ( -5.856 1.748 -1.471) 6.286 14.824 ( -10.871 -4.351 -0.234) 11.712 15.080 ( -3.929 -7.486 -2.348) 8.775 15.252 ( -15.734 -13.342 -7.292) 21.880 17.255 ( -1.064 7.202 4.942) 8.799 17.400 ( -0.987 0.932 4.643) 4.837 18.461 ( 5.947 17.538 -8.642) 20.436 18.905 ( 8.124 -2.676 -16.942) 18.978 ======================= Grid point 198 (107/205) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -2.941 -9.397 9.119) 13.420 2.303 ( -2.941 9.397 9.119) 13.420 2.720 ( 3.255 -9.527 4.197) 10.908 2.720 ( 3.255 9.527 4.197) 10.908 3.604 ( 2.476 -3.126 0.773) 4.062 3.604 ( 2.476 3.126 0.773) 4.062 4.032 ( 2.218 -3.528 -5.073) 6.565 4.032 ( 2.218 3.528 -5.073) 6.565 4.437 ( -0.630 -13.018 -1.450) 13.113 4.437 ( -0.630 13.018 -1.450) 13.113 5.096 ( -0.538 -6.137 1.258) 6.287 5.096 ( -0.538 6.137 1.258) 6.287 6.238 ( 1.837 -4.756 0.870) 5.172 6.238 ( 1.837 4.756 0.870) 5.172 6.717 ( 2.640 -6.458 -4.334) 8.214 6.717 ( 2.640 6.458 -4.334) 8.214 7.757 ( -6.204 -1.978 8.367) 10.602 7.757 ( -6.204 1.978 8.367) 10.602 7.957 ( 4.266 -4.420 6.389) 8.863 7.957 ( 4.266 4.420 6.389) 8.863 8.690 ( -5.748 -5.952 10.862) 13.655 8.690 ( -5.748 5.952 10.862) 13.655 9.372 ( -4.724 -5.458 17.362) 18.803 9.372 ( -4.724 5.458 17.362) 18.803 9.554 ( -4.328 -8.778 4.636) 10.829 9.554 ( -4.328 8.778 4.636) 10.829 10.590 ( -0.382 -7.062 1.447) 7.219 10.590 ( -0.382 7.062 1.447) 7.219 10.694 ( 8.677 -3.852 9.073) 13.132 10.694 ( 8.677 3.852 9.073) 13.132 11.281 ( -1.116 -9.609 -1.177) 9.745 11.281 ( -1.116 9.609 -1.177) 9.745 12.108 ( 2.705 -7.099 -6.838) 10.221 12.108 ( 2.705 7.099 -6.838) 10.221 12.944 ( 1.589 -2.478 -7.267) 7.841 12.944 ( 1.589 2.478 -7.267) 7.841 13.416 ( 5.318 -6.449 4.149) 9.332 13.416 ( 5.318 6.449 4.149) 9.332 14.184 ( -6.639 -1.728 -2.947) 7.466 14.184 ( -6.639 1.728 -2.947) 7.466 14.621 ( -5.973 -2.343 -2.458) 6.870 14.621 ( -5.973 2.343 -2.458) 6.870 14.984 ( 6.601 -0.806 -4.234) 7.883 14.984 ( 6.601 0.806 -4.234) 7.883 17.383 ( -0.280 -3.683 6.130) 7.157 17.383 ( -0.280 3.683 6.130) 7.157 18.774 ( 0.229 -10.254 -13.247) 16.754 18.774 ( 0.229 10.254 -13.247) 16.754 ======================= Grid point 200 (108/205) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.227 -8.206 12.940) 15.325 2.326 ( 0.227 8.206 12.940) 15.325 2.851 ( 8.553 -6.832 2.568) 11.244 2.851 ( 8.553 6.832 2.568) 11.244 3.598 ( -3.406 -3.026 -0.493) 4.582 3.598 ( -3.406 3.026 -0.493) 4.582 4.051 ( 2.644 -1.982 -7.377) 8.083 4.051 ( 2.644 1.982 -7.377) 8.083 4.443 ( 1.588 -12.874 -2.274) 13.170 4.443 ( 1.588 12.874 -2.274) 13.170 5.103 ( 0.992 -5.573 1.054) 5.757 5.103 ( 0.992 5.573 1.054) 5.757 6.279 ( 2.417 -4.966 -1.164) 5.645 6.279 ( 2.417 4.966 -1.164) 5.645 6.751 ( 2.948 -4.564 -5.200) 7.521 6.751 ( 2.948 4.564 -5.200) 7.521 7.719 ( -2.876 -3.567 12.971) 13.756 7.719 ( -2.876 3.567 12.971) 13.756 8.086 ( 4.003 -2.243 3.704) 5.897 8.086 ( 4.003 2.243 3.704) 5.897 8.669 ( 0.964 -1.143 9.916) 10.028 8.669 ( 0.964 1.143 9.916) 10.028 9.218 ( -13.697 -5.064 15.268) 21.128 9.218 ( -13.697 5.064 15.268) 21.128 9.595 ( 1.339 -7.577 9.065) 11.891 9.595 ( 1.339 7.577 9.065) 11.891 10.525 ( -7.023 -8.931 3.284) 11.827 10.525 ( -7.023 8.931 3.284) 11.827 10.906 ( 9.260 -6.752 8.414) 14.218 10.906 ( 9.260 6.752 8.414) 14.218 11.252 ( -1.766 -10.623 0.340) 10.775 11.252 ( -1.766 10.623 0.340) 10.775 12.147 ( 3.984 -5.942 -6.348) 9.565 12.147 ( 3.984 5.942 -6.348) 9.565 12.844 ( -7.808 -9.043 -16.504) 20.375 12.844 ( -7.808 9.043 -16.504) 20.375 13.497 ( 0.499 -6.387 12.463) 14.014 13.497 ( 0.499 6.387 12.463) 14.014 13.981 ( -10.976 -3.267 -4.182) 12.192 13.981 ( -10.976 3.267 -4.182) 12.192 14.570 ( 2.430 -3.671 -4.948) 6.623 14.570 ( 2.430 3.671 -4.948) 6.623 15.184 ( 13.780 -4.930 -3.497) 15.047 15.184 ( 13.780 4.930 -3.497) 15.047 17.413 ( 0.509 -3.403 6.193) 7.085 17.413 ( 0.509 3.403 6.193) 7.085 18.661 ( -5.661 -7.605 -12.650) 15.808 18.661 ( -5.661 7.605 -12.650) 15.808 ======================= Grid point 202 (109/205) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 2.081 -8.890 16.103) 18.511 2.415 ( 2.081 8.890 16.103) 18.511 3.048 ( 10.317 -6.953 0.770) 12.465 3.048 ( 10.317 6.953 0.770) 12.465 3.481 ( -7.506 -3.069 -1.796) 8.305 3.481 ( -7.506 3.069 -1.796) 8.305 4.075 ( 3.756 -3.204 -9.070) 10.327 4.075 ( 3.756 3.204 -9.070) 10.327 4.450 ( 0.438 -9.792 -5.554) 11.266 4.450 ( 0.438 9.792 -5.554) 11.266 5.140 ( 1.876 -3.857 1.369) 4.503 5.140 ( 1.876 3.857 1.369) 4.503 6.327 ( 3.431 -4.544 -1.852) 5.988 6.327 ( 3.431 4.544 -1.852) 5.988 6.783 ( 2.583 -2.095 -4.937) 5.953 6.783 ( 2.583 2.095 -4.937) 5.953 7.738 ( -1.905 -4.081 13.016) 13.773 7.738 ( -1.905 4.081 13.016) 13.773 8.089 ( -2.875 -4.590 1.305) 5.571 8.089 ( -2.875 4.590 1.305) 5.571 8.829 ( 5.663 -5.661 17.561) 19.301 8.829 ( 5.663 5.661 17.561) 19.301 9.079 ( -4.882 -8.706 14.248) 17.396 9.079 ( -4.882 8.706 14.248) 17.396 9.633 ( -0.998 -7.760 6.242) 10.009 9.633 ( -0.998 7.760 6.242) 10.009 10.378 ( -9.310 -13.042 5.035) 16.797 10.378 ( -9.310 13.042 5.035) 16.797 11.105 ( 6.371 -12.692 6.468) 15.605 11.105 ( 6.371 12.692 6.468) 15.605 11.207 ( -2.697 -12.187 2.340) 12.699 11.207 ( -2.697 12.187 2.340) 12.699 12.196 ( 2.833 -5.340 -4.985) 7.835 12.196 ( 2.833 5.340 -4.985) 7.835 12.527 ( -14.029 -11.542 -20.880) 27.677 12.527 ( -14.029 11.542 -20.880) 27.677 13.551 ( -1.321 -3.029 10.169) 10.692 13.551 ( -1.321 3.029 10.169) 10.692 13.769 ( -7.883 -4.215 -4.227) 9.888 13.769 ( -7.883 4.215 -4.227) 9.888 14.651 ( 6.895 -10.631 -2.722) 12.960 14.651 ( 6.895 10.631 -2.722) 12.960 15.430 ( 12.884 -9.798 -4.608) 16.830 15.430 ( 12.884 9.798 -4.608) 16.830 17.455 ( 1.131 -2.466 5.509) 6.141 17.455 ( 1.131 2.466 5.509) 6.141 18.469 ( -8.334 -4.435 -10.728) 14.290 18.469 ( -8.334 4.435 -10.728) 14.290 ======================= Grid point 204 (110/205) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 1.787 -8.776 17.437) 19.603 2.530 ( 1.787 8.776 17.437) 19.603 3.186 ( -0.005 -8.741 -2.159) 9.003 3.186 ( -0.005 8.741 -2.159) 9.003 3.362 ( 0.356 -2.729 -1.237) 3.017 3.362 ( 0.356 2.729 -1.237) 3.017 4.108 ( 3.095 -7.359 -10.059) 12.842 4.108 ( 3.095 7.359 -10.059) 12.842 4.421 ( 0.480 -7.031 -6.522) 9.602 4.421 ( 0.480 7.031 -6.522) 9.602 5.170 ( 0.669 -2.138 0.025) 2.240 5.170 ( 0.669 2.138 0.025) 2.240 6.390 ( 3.681 -4.941 -1.933) 6.457 6.390 ( 3.681 4.941 -1.933) 6.457 6.806 ( 1.531 -1.426 -2.902) 3.578 6.806 ( 1.531 1.426 -2.902) 3.578 7.734 ( -2.541 -4.763 6.824) 8.701 7.734 ( -2.541 4.763 6.824) 8.701 8.085 ( 0.761 -3.255 10.307) 10.835 8.085 ( 0.761 3.255 10.307) 10.835 8.889 ( -6.521 -5.039 26.360) 27.618 8.889 ( -6.521 5.039 26.360) 27.618 9.210 ( 8.636 -12.412 5.067) 15.947 9.210 ( 8.636 12.412 5.067) 15.947 9.616 ( -2.610 -7.178 4.011) 8.626 9.616 ( -2.610 7.178 4.011) 8.626 10.237 ( -7.172 -14.546 6.279) 17.391 10.237 ( -7.172 14.546 6.279) 17.391 11.061 ( -8.192 -2.997 1.150) 8.799 11.061 ( -8.192 2.997 1.150) 8.799 11.285 ( 3.929 -4.100 3.986) 6.938 11.285 ( 3.929 4.100 3.986) 6.938 12.050 ( -12.844 -7.141 -10.745) 18.204 12.050 ( -12.844 7.141 -10.745) 18.204 12.366 ( 5.681 -10.378 -12.382) 17.126 12.366 ( 5.681 10.378 -12.382) 17.126 13.460 ( -8.358 -4.517 -3.708) 10.198 13.460 ( -8.358 4.517 -3.708) 10.198 13.714 ( 1.052 -3.842 3.404) 5.240 13.714 ( 1.052 3.842 3.404) 5.240 14.783 ( 6.690 -14.903 0.877) 16.359 14.783 ( 6.690 14.903 0.877) 16.359 15.621 ( 9.026 -13.741 -5.705) 17.402 15.621 ( 9.026 13.741 -5.705) 17.402 17.498 ( 0.906 -0.497 4.165) 4.291 17.498 ( 0.906 0.497 4.165) 4.291 18.275 ( -6.720 -1.767 -8.345) 10.860 18.275 ( -6.720 1.767 -8.345) 10.860 ======================= Grid point 206 (111/205) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -1.185 -5.435 16.929) 17.820 2.616 ( -1.185 5.435 16.929) 17.820 3.058 ( -7.584 -3.762 -3.526) 9.171 3.058 ( -7.584 3.762 -3.526) 9.171 3.471 ( 7.506 -3.567 -0.895) 8.358 3.471 ( 7.506 3.567 -0.895) 8.358 4.060 ( -2.912 -3.852 -13.688) 14.515 4.060 ( -2.912 3.852 -13.688) 14.515 4.460 ( 5.526 -7.198 -1.833) 9.258 4.460 ( 5.526 7.198 -1.833) 9.258 5.161 ( -1.441 -2.884 -0.626) 3.284 5.161 ( -1.441 2.884 -0.626) 3.284 6.435 ( 1.606 -6.691 -2.594) 7.354 6.435 ( 1.606 6.691 -2.594) 7.354 6.815 ( 0.158 -3.239 -0.278) 3.255 6.815 ( 0.158 3.239 -0.278) 3.255 7.743 ( 1.234 -5.615 5.776) 8.150 7.743 ( 1.234 5.615 5.776) 8.150 8.188 ( 3.986 -0.821 12.839) 13.468 8.188 ( 3.986 0.821 12.839) 13.468 8.883 ( -5.741 -4.616 24.701) 25.776 8.883 ( -5.741 4.616 24.701) 25.776 9.275 ( -5.291 -8.219 2.798) 10.167 9.275 ( -5.291 8.219 2.798) 10.167 9.600 ( -0.875 -2.632 5.478) 6.140 9.600 ( -0.875 2.632 5.478) 6.140 10.186 ( -0.698 -10.995 6.164) 12.624 10.186 ( -0.698 10.995 6.164) 12.624 10.877 ( -10.206 -5.323 -0.672) 11.530 10.877 ( -10.206 5.323 -0.672) 11.530 11.267 ( -6.214 -9.503 -3.364) 11.842 11.267 ( -6.214 9.503 -3.364) 11.842 11.899 ( 3.069 -2.133 -5.633) 6.760 11.899 ( 3.069 2.133 -5.633) 6.760 12.457 ( 7.459 -9.354 -8.873) 14.895 12.457 ( 7.459 9.354 -8.873) 14.895 13.271 ( -8.049 -3.801 -7.944) 11.931 13.271 ( -8.049 3.801 -7.944) 11.931 13.768 ( 2.501 -3.110 3.506) 5.312 13.768 ( 2.501 3.110 3.506) 5.312 14.901 ( 4.386 -15.656 3.242) 16.579 14.901 ( 4.386 15.656 3.242) 16.579 15.719 ( 3.750 -16.108 -6.567) 17.795 15.719 ( 3.750 16.108 -6.567) 17.795 17.513 ( -1.237 -1.972 2.501) 3.417 17.513 ( -1.237 1.972 2.501) 3.417 18.170 ( -0.152 -0.762 -6.154) 6.203 18.170 ( -0.152 0.762 -6.154) 6.203 ======================= Grid point 208 (112/205) ======================= q-point: (-0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -5.366 -1.836 14.026) 15.129 2.620 ( -5.366 1.836 14.026) 15.129 2.919 ( -5.528 -6.521 -1.277) 8.643 2.919 ( -5.528 6.521 -1.277) 8.643 3.595 ( 5.301 -4.461 -3.048) 7.570 3.595 ( 5.301 4.461 -3.048) 7.570 3.921 ( -3.699 -4.023 -13.071) 14.167 3.921 ( -3.699 4.023 -13.071) 14.167 4.573 ( 5.112 -7.545 0.400) 9.123 4.573 ( 5.112 7.545 0.400) 9.123 5.117 ( -2.985 -4.261 1.407) 5.390 5.117 ( -2.985 4.261 1.407) 5.390 6.425 ( -1.299 -7.488 -3.002) 8.172 6.425 ( -1.299 7.489 -3.002) 8.172 6.804 ( -1.635 -3.967 0.640) 4.338 6.804 ( -1.635 3.967 0.640) 4.338 7.823 ( 3.640 -4.678 6.201) 8.578 7.823 ( 3.640 4.678 6.201) 8.578 8.337 ( 6.397 -2.171 8.592) 10.930 8.337 ( 6.397 2.171 8.592) 10.930 8.862 ( -7.233 -7.126 16.325) 19.225 8.862 ( -7.233 7.126 16.325) 19.225 9.088 ( -13.929 -1.921 10.975) 17.837 9.088 ( -13.929 1.921 10.975) 17.837 9.608 ( -1.163 -1.307 7.474) 7.676 9.608 ( -1.163 1.307 7.474) 7.676 10.224 ( 0.214 -3.929 5.697) 6.924 10.224 ( 0.214 3.929 5.697) 6.924 10.720 ( -3.931 -3.133 -2.815) 5.761 10.720 ( -3.931 3.133 -2.815) 5.761 11.110 ( -5.885 -11.524 -4.817) 13.807 11.110 ( -5.885 11.524 -4.817) 13.807 12.046 ( 11.547 -2.008 -2.592) 12.003 12.046 ( 11.547 2.008 -2.592) 12.003 12.564 ( 7.618 -7.708 -8.302) 13.652 12.564 ( 7.618 7.708 -8.302) 13.652 13.089 ( -6.922 -4.135 -8.653) 11.827 13.089 ( -6.922 4.135 -8.653) 11.827 13.839 ( 3.499 -2.157 3.064) 5.127 13.839 ( 3.499 2.157 3.064) 5.127 14.972 ( 1.172 -14.160 4.168) 14.807 14.972 ( 1.172 14.160 4.168) 14.807 15.701 ( -2.516 -16.676 -7.357) 18.400 15.701 ( -2.516 16.676 -7.357) 18.400 17.474 ( -3.338 -3.038 1.761) 4.845 17.474 ( -3.338 3.038 1.761) 4.845 18.224 ( 7.998 -2.519 -5.401) 9.974 18.224 ( 7.998 2.519 -5.401) 9.974 ======================= Grid point 210 (113/205) ======================= q-point: (-0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -6.923 -7.961 9.538) 14.223 2.548 ( -6.923 7.961 9.538) 14.223 2.825 ( -5.058 -11.500 2.997) 12.916 2.825 ( -5.058 11.500 2.997) 12.916 3.593 ( -2.107 -5.504 -10.124) 11.715 3.593 ( -2.107 5.504 -10.124) 11.715 3.883 ( 3.816 -8.675 -4.447) 10.468 3.883 ( 3.816 8.675 -4.447) 10.468 4.620 ( -0.386 -7.276 -1.498) 7.439 4.620 ( -0.386 7.276 -1.498) 7.439 5.080 ( -1.915 -6.815 5.673) 9.072 5.080 ( -1.915 6.815 5.673) 9.072 6.363 ( -3.627 -5.456 -2.832) 7.138 6.363 ( -3.627 5.456 -2.832) 7.138 6.758 ( -2.869 -5.365 -0.412) 6.098 6.758 ( -2.869 5.365 -0.412) 6.098 7.901 ( 1.261 -1.550 4.332) 4.770 7.901 ( 1.261 1.550 4.332) 4.770 8.444 ( -3.090 -5.853 -0.645) 6.650 8.444 ( -3.090 5.853 -0.645) 6.650 8.706 ( -7.229 -4.458 7.955) 11.636 8.706 ( -7.229 4.458 7.955) 11.636 8.993 ( -5.080 -1.198 27.575) 28.065 8.993 ( -5.080 1.198 27.575) 28.065 9.644 ( 1.679 -3.657 8.820) 9.695 9.644 ( 1.679 3.657 8.820) 9.695 10.228 ( -1.600 -8.513 6.367) 10.750 10.228 ( -1.600 8.513 6.367) 10.750 10.672 ( -1.315 -1.200 -5.692) 5.964 10.672 ( -1.315 1.200 -5.692) 5.964 11.060 ( 2.973 -11.107 -1.543) 11.601 11.060 ( 2.973 11.107 -1.543) 11.601 12.232 ( 6.729 -3.157 -3.727) 8.315 12.232 ( 6.729 3.157 -3.727) 8.315 12.691 ( 10.364 -6.641 -9.360) 15.463 12.691 ( 10.364 6.641 -9.360) 15.463 12.953 ( -2.907 -4.551 -5.532) 7.731 12.953 ( -2.907 4.551 -5.532) 7.731 13.934 ( 5.146 -2.598 2.947) 6.474 13.934 ( 5.146 2.598 2.947) 6.474 14.977 ( -2.538 -11.362 3.905) 12.280 14.977 ( -2.538 11.362 3.905) 12.280 15.558 ( -8.703 -15.382 -8.047) 19.419 15.558 ( -8.703 15.382 -8.047) 19.419 17.418 ( -3.155 -3.486 2.608) 5.377 17.418 ( -3.155 3.486 2.608) 5.377 18.403 ( 12.542 -6.557 -6.796) 15.700 18.403 ( 12.542 6.557 -6.796) 15.700 ======================= Grid point 212 (114/205) ======================= q-point: (-0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -6.774 -10.869 6.828) 14.514 2.450 ( -6.774 10.869 6.828) 14.514 2.744 ( -5.078 -14.692 5.137) 16.372 2.744 ( -5.078 14.692 5.137) 16.372 3.516 ( -0.334 -3.364 -7.295) 8.041 3.516 ( -0.334 3.364 -7.295) 8.041 3.957 ( 4.293 -7.708 -2.712) 9.230 3.957 ( 4.293 7.708 -2.712) 9.230 4.561 ( -3.818 -8.188 -2.735) 9.440 4.561 ( -3.818 8.188 -2.735) 9.440 5.089 ( -0.610 -8.159 6.972) 10.749 5.089 ( -0.610 8.159 6.972) 10.749 6.274 ( -4.157 -2.595 -1.276) 5.064 6.274 ( -4.157 2.595 -1.276) 5.064 6.708 ( -1.295 -6.991 -2.194) 7.441 6.708 ( -1.295 6.991 -2.194) 7.441 7.905 ( -1.732 -1.189 1.513) 2.589 7.905 ( -1.732 1.189 1.513) 2.589 8.190 ( -16.277 -9.930 0.975) 19.092 8.190 ( -16.277 9.930 0.975) 19.092 8.741 ( -0.308 -8.518 12.871) 15.437 8.741 ( -0.308 8.518 12.871) 15.437 9.083 ( 2.229 -1.196 24.068) 24.201 9.083 ( 2.229 1.196 24.068) 24.201 9.727 ( 1.275 -6.284 6.929) 9.441 9.727 ( 1.275 6.284 6.929) 9.441 10.268 ( 3.543 -11.007 9.597) 15.027 10.268 ( 3.543 11.007 9.597) 15.027 10.607 ( -1.367 -8.005 -7.301) 10.921 10.607 ( -1.367 8.005 -7.301) 10.921 11.175 ( 7.162 -10.536 0.678) 12.758 11.175 ( 7.162 10.536 0.678) 12.758 12.228 ( -3.331 -5.391 -7.124) 9.534 12.228 ( -3.331 5.391 -7.124) 9.534 12.850 ( 6.973 -3.352 -9.225) 12.040 12.850 ( 6.973 3.352 -9.225) 12.040 12.991 ( 10.217 -2.931 -0.591) 10.646 12.991 ( 10.217 2.931 -0.591) 10.646 14.063 ( 6.874 -3.475 2.811) 8.200 14.063 ( 6.874 3.475 2.811) 8.200 14.909 ( -5.962 -7.788 2.537) 10.131 14.909 ( -5.962 7.788 2.537) 10.131 15.310 ( -12.793 -12.087 -8.291) 19.455 15.310 ( -12.793 12.087 -8.291) 19.455 17.381 ( -2.113 -3.700 4.085) 5.903 17.381 ( -2.113 3.700 4.085) 5.903 18.613 ( 12.114 -9.830 -9.419) 18.223 18.613 ( 12.114 9.830 -9.419) 18.223 ======================= Grid point 214 (115/205) ======================= q-point: (-0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -5.775 -10.656 6.686) 13.842 2.356 ( -5.775 10.656 6.686) 13.842 2.691 ( -2.194 -12.907 5.139) 14.064 2.691 ( -2.194 12.907 5.139) 14.064 3.533 ( 3.647 -3.005 -1.336) 4.911 3.533 ( 3.647 3.005 -1.336) 4.911 4.008 ( 2.552 -5.675 -3.809) 7.295 4.008 ( 2.552 5.675 -3.809) 7.295 4.481 ( -2.993 -10.787 -2.046) 11.380 4.481 ( -2.993 10.787 -2.046) 11.380 5.101 ( -0.873 -7.269 4.138) 8.410 5.101 ( -0.873 7.269 4.138) 8.410 6.219 ( -1.005 -3.167 1.079) 3.493 6.219 ( -1.005 3.167 1.079) 3.493 6.695 ( 1.178 -7.362 -3.473) 8.225 6.695 ( 1.178 7.362 -3.473) 8.225 7.863 ( -4.091 -1.400 1.235) 4.496 7.863 ( -4.091 1.400 1.235) 4.496 7.943 ( -8.554 -10.002 6.479) 14.669 7.943 ( -8.554 10.002 6.479) 14.669 8.745 ( -5.011 -7.543 14.228) 16.865 8.745 ( -5.011 7.543 14.228) 16.865 9.255 ( 4.591 -1.429 20.001) 20.570 9.255 ( 4.591 1.429 20.001) 20.570 9.689 ( -7.099 -7.211 2.873) 10.519 9.689 ( -7.099 7.211 2.873) 10.519 10.456 ( 8.914 -12.969 14.010) 21.070 10.456 ( 8.914 12.969 14.010) 21.070 10.585 ( 2.277 -12.609 -6.409) 14.327 10.585 ( 2.277 12.609 -6.409) 14.327 11.279 ( 2.641 -9.533 -0.079) 9.892 11.279 ( 2.641 9.533 -0.079) 9.892 12.128 ( -1.927 -7.454 -7.869) 11.009 12.128 ( -1.927 7.454 -7.869) 11.009 12.909 ( 3.491 -3.013 -3.893) 6.035 12.909 ( 3.491 3.013 -3.893) 6.035 13.234 ( 12.743 -3.506 -1.905) 13.353 13.234 ( 12.743 3.506 -1.905) 13.353 14.198 ( 4.801 -2.643 1.373) 5.650 14.198 ( 4.801 2.643 1.373) 5.650 14.777 ( -8.161 -2.923 0.338) 8.675 14.777 ( -8.161 2.923 0.338) 8.675 15.041 ( -9.418 -5.550 -7.353) 13.174 15.041 ( -9.418 5.550 -7.353) 13.174 17.371 ( -1.120 -3.733 5.378) 6.642 17.371 ( -1.120 3.733 5.378) 6.642 18.758 ( 7.212 -11.197 -11.992) 17.922 18.758 ( 7.212 11.197 -11.992) 17.922 ======================= Grid point 243 (116/205) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.205 0.000 25.066) 25.416 1.827 ( 14.271 0.000 26.999) 30.539 2.853 ( -0.622 0.000 28.588) 28.595 2.961 ( -2.305 0.000 -4.242) 4.827 3.139 ( -2.192 0.000 -15.028) 15.187 3.239 ( -0.381 0.000 -8.617) 8.626 3.846 ( 1.223 0.000 -0.592) 1.359 3.959 ( -8.920 0.000 4.236) 9.875 4.227 ( 7.603 0.000 -6.959) 10.307 4.705 ( 1.032 0.000 -3.216) 3.378 5.049 ( -2.283 0.000 6.864) 7.234 5.143 ( -0.989 0.000 1.770) 2.027 5.935 ( -4.183 0.000 0.370) 4.199 6.259 ( 9.772 0.000 -3.886) 10.516 6.633 ( 1.579 0.000 -15.221) 15.302 6.868 ( -7.516 0.000 3.102) 8.131 7.776 ( 5.356 0.000 -2.665) 5.982 7.840 ( -3.910 0.000 -4.464) 5.934 8.045 ( 11.162 0.000 9.046) 14.367 8.451 ( 8.654 0.000 9.690) 12.991 8.612 ( -17.717 0.000 -5.692) 18.609 8.943 ( 21.826 0.000 8.746) 23.513 9.253 ( 2.344 0.000 -8.406) 8.726 9.538 ( -11.411 0.000 30.004) 32.100 9.602 ( -29.838 0.000 -14.035) 32.974 9.893 ( -6.508 0.000 36.141) 36.722 9.982 ( 1.811 0.000 -3.289) 3.755 10.488 ( 0.573 0.000 -0.445) 0.725 10.693 ( 20.119 0.000 2.071) 20.226 10.821 ( -0.435 0.000 -0.395) 0.587 11.306 ( -5.876 0.000 6.980) 9.124 11.415 ( 9.332 0.000 -3.646) 10.019 12.067 ( -8.158 0.000 -6.846) 10.650 12.236 ( 12.005 0.000 -23.433) 26.329 12.616 ( 4.657 0.000 -1.077) 4.780 12.849 ( 8.458 0.000 -13.443) 15.882 13.849 ( 5.331 0.000 3.260) 6.248 14.159 ( -14.892 0.000 -0.458) 14.899 14.266 ( 1.113 0.000 11.595) 11.648 14.466 ( -14.885 0.000 7.629) 16.726 15.216 ( 28.107 0.000 -7.078) 28.984 15.414 ( -3.055 0.000 -9.417) 9.900 15.537 ( 5.038 0.000 5.447) 7.420 15.838 ( -12.753 0.000 -3.749) 13.293 17.065 ( 0.161 0.000 1.255) 1.265 17.160 ( 0.021 0.000 -1.663) 1.663 17.300 ( 3.660 0.000 2.330) 4.338 17.486 ( -10.659 0.000 -2.789) 11.018 ======================= Grid point 244 (117/205) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 14.268 0.000 21.908) 26.144 2.209 ( 10.869 0.000 23.395) 25.797 2.945 ( 3.295 0.000 -8.445) 9.065 3.011 ( 5.810 0.000 -16.879) 17.851 3.148 ( 10.730 0.000 17.471) 20.503 3.178 ( -2.790 0.000 -5.871) 6.500 3.796 ( -8.199 0.000 2.929) 8.706 3.831 ( -1.618 0.000 3.428) 3.790 4.376 ( 8.421 0.000 -0.913) 8.470 4.710 ( 1.054 0.000 -8.255) 8.322 5.009 ( -4.926 0.000 9.586) 10.778 5.109 ( -3.007 0.000 -0.587) 3.063 5.857 ( -2.800 0.000 -2.187) 3.553 6.448 ( 10.856 0.000 -14.594) 18.190 6.654 ( 5.851 0.000 1.446) 6.027 6.670 ( -10.718 0.000 -2.475) 11.000 7.769 ( -1.717 0.000 -2.750) 3.242 7.876 ( 7.316 0.000 -4.097) 8.386 8.212 ( -0.948 0.000 18.853) 18.877 8.244 ( -15.819 0.000 -9.605) 18.507 8.723 ( 10.635 0.000 7.560) 13.048 8.881 ( -28.958 0.000 -9.775) 30.563 9.262 ( -4.585 0.000 -8.667) 9.805 9.452 ( 22.417 0.000 13.322) 26.076 9.522 ( -0.839 0.000 32.513) 32.524 9.892 ( -10.104 0.000 34.243) 35.702 10.022 ( 2.587 0.000 -4.151) 4.891 10.467 ( -2.414 0.000 -2.630) 3.570 10.766 ( -5.026 0.000 -2.428) 5.582 10.919 ( -2.229 0.000 0.624) 2.315 11.305 ( 10.886 0.000 -10.341) 15.015 11.605 ( 10.999 0.000 0.190) 11.000 11.853 ( -8.810 0.000 -5.292) 10.277 12.382 ( 12.401 0.000 -19.148) 22.813 12.583 ( -7.307 0.000 -7.327) 10.347 12.871 ( 0.143 0.000 -13.956) 13.957 13.814 ( -18.231 0.000 0.862) 18.251 13.969 ( 3.461 0.000 8.126) 8.833 14.137 ( -18.460 0.000 3.828) 18.853 14.216 ( -12.123 0.000 13.571) 18.197 15.324 ( -2.683 0.000 -10.171) 10.519 15.362 ( -2.655 0.000 -1.079) 2.866 15.705 ( 8.405 0.000 6.958) 10.911 16.094 ( 33.100 0.000 -13.664) 35.809 17.074 ( 0.107 0.000 1.359) 1.364 17.157 ( 0.345 0.000 -1.700) 1.734 17.308 ( -6.853 0.000 -0.919) 6.914 17.379 ( 2.787 0.000 4.322) 5.142 ======================= Grid point 245 (118/205) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 17.546 0.000 16.756) 24.262 2.442 ( 4.492 0.000 21.521) 21.985 2.988 ( 3.814 0.000 -25.225) 25.511 3.002 ( 7.493 0.000 -14.447) 16.274 3.085 ( -5.189 0.000 -0.213) 5.193 3.505 ( 14.693 0.000 -1.966) 14.824 3.708 ( -2.252 0.000 3.724) 4.352 3.908 ( 6.754 0.000 23.403) 24.358 4.499 ( 3.529 0.000 1.201) 3.728 4.647 ( -3.609 0.000 -8.031) 8.805 4.964 ( -3.956 0.000 8.107) 9.020 5.016 ( -5.551 0.000 -4.306) 7.025 5.822 ( 0.273 0.000 -3.296) 3.307 6.492 ( 2.940 0.000 -16.501) 16.761 6.498 ( -5.653 0.000 -0.111) 5.654 6.867 ( 11.021 0.000 4.050) 11.741 7.751 ( 0.691 0.000 -1.239) 1.419 7.978 ( -6.438 0.000 -4.741) 7.995 8.018 ( 9.080 0.000 -4.593) 10.176 8.212 ( -6.348 0.000 16.544) 17.721 8.406 ( -15.832 0.000 -3.390) 16.191 8.844 ( -1.516 0.000 14.616) 14.695 9.096 ( -8.575 0.000 -8.411) 12.011 9.614 ( -2.071 0.000 24.479) 24.566 9.755 ( -15.274 0.000 21.838) 26.650 10.020 ( 20.440 0.000 20.356) 28.847 10.042 ( 1.967 0.000 -6.598) 6.885 10.384 ( -4.500 0.000 5.677) 7.244 10.653 ( -3.672 0.000 -2.615) 4.508 10.719 ( -14.491 0.000 -1.213) 14.542 11.537 ( 16.910 0.000 -20.331) 26.445 11.725 ( -3.819 0.000 0.025) 3.819 11.794 ( 7.313 0.000 0.123) 7.314 12.274 ( -18.843 0.000 -11.869) 22.270 12.498 ( 6.562 0.000 -22.579) 23.514 12.800 ( 0.812 0.000 -8.261) 8.301 13.530 ( -11.989 0.000 3.805) 12.578 13.811 ( -13.982 0.000 3.258) 14.357 13.989 ( -15.967 0.000 15.783) 22.451 14.079 ( 2.637 0.000 4.105) 4.879 15.216 ( -4.449 0.000 -7.185) 8.451 15.366 ( 3.076 0.000 -2.895) 4.224 15.888 ( 6.882 0.000 7.794) 10.397 16.611 ( 25.139 0.000 -18.577) 31.258 17.080 ( -0.080 0.000 1.532) 1.534 17.160 ( 1.316 0.000 -0.611) 1.451 17.225 ( -0.992 0.000 -1.861) 2.109 17.435 ( 0.447 0.000 5.967) 5.983 ======================= Grid point 246 (119/205) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 3.902 0.000 14.209) 14.735 2.611 ( 13.904 0.000 11.129) 17.810 2.949 ( 1.729 0.000 -15.813) 15.907 2.976 ( -4.838 0.000 0.207) 4.842 3.118 ( 9.995 0.000 -10.654) 14.608 3.657 ( 7.116 0.000 -11.114) 13.197 3.717 ( 0.570 0.000 2.337) 2.406 4.222 ( 9.241 0.000 21.956) 23.821 4.508 ( -2.993 0.000 1.240) 3.240 4.548 ( -3.023 0.000 -1.215) 3.258 4.875 ( -5.369 0.000 -5.983) 8.039 4.906 ( -4.932 0.000 3.278) 5.922 5.829 ( 1.656 0.000 -2.600) 3.083 6.459 ( 0.017 0.000 4.024) 4.024 6.463 ( 0.628 0.000 -10.252) 10.271 7.007 ( 4.219 0.000 -8.449) 9.444 7.801 ( 5.989 0.000 -1.510) 6.176 8.028 ( 8.884 0.000 14.861) 17.314 8.120 ( -4.746 0.000 3.222) 5.737 8.182 ( 5.494 0.000 2.222) 5.926 8.241 ( -1.513 0.000 -0.386) 1.562 8.856 ( -4.762 0.000 21.507) 22.028 8.881 ( -9.187 0.000 -9.058) 12.901 9.416 ( -18.913 0.000 -1.941) 19.013 9.621 ( -11.320 0.000 26.623) 28.930 10.047 ( 2.115 0.000 -8.140) 8.410 10.289 ( -0.509 0.000 23.738) 23.744 10.415 ( -15.287 0.000 -3.127) 15.604 10.425 ( -2.868 0.000 7.974) 8.474 10.723 ( 13.992 0.000 6.655) 15.494 11.614 ( -12.815 0.000 -0.013) 12.815 11.733 ( 12.265 0.000 -21.207) 24.498 11.868 ( 1.506 0.000 -3.360) 3.682 11.904 ( -8.525 0.000 -6.773) 10.888 12.443 ( 1.613 0.000 -24.418) 24.471 12.830 ( 2.336 0.000 -8.456) 8.772 13.370 ( -7.048 0.000 4.256) 8.233 13.614 ( -6.851 0.000 -1.323) 6.977 13.792 ( -10.880 0.000 15.352) 18.817 14.143 ( 3.210 0.000 2.055) 3.812 15.100 ( -5.143 0.000 -1.794) 5.447 15.410 ( 2.850 0.000 -6.154) 6.782 16.032 ( 4.397 0.000 8.245) 9.345 16.825 ( 5.235 0.000 -13.471) 14.453 17.084 ( -0.217 0.000 1.613) 1.628 17.208 ( 1.653 0.000 -2.644) 3.118 17.308 ( 13.419 0.000 -5.444) 14.481 17.440 ( -2.831 0.000 6.500) 7.089 ======================= Grid point 247 (120/205) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -0.446 0.000 -0.125) 0.463 2.699 ( -8.841 0.000 4.091) 9.741 2.960 ( 3.423 0.000 4.416) 5.587 2.989 ( 5.738 0.000 -0.119) 5.740 3.330 ( 14.744 0.000 -0.902) 14.771 3.705 ( -2.255 0.000 -1.595) 2.762 3.712 ( 3.068 0.000 -13.251) 13.602 4.284 ( -9.215 0.000 9.693) 13.374 4.399 ( -7.659 0.000 -7.078) 10.429 4.565 ( 3.566 0.000 6.875) 7.745 4.811 ( -5.286 0.000 0.720) 5.335 4.855 ( 4.024 0.000 4.899) 6.340 5.866 ( 2.749 0.000 0.933) 2.903 6.432 ( -0.233 0.000 -6.741) 6.745 6.489 ( -0.192 0.000 5.692) 5.695 7.011 ( 2.385 0.000 -13.370) 13.581 7.954 ( 9.343 0.000 -0.593) 9.362 8.010 ( -6.887 0.000 2.802) 7.436 8.284 ( 6.492 0.000 6.520) 9.201 8.288 ( 4.441 0.000 -3.770) 5.825 8.406 ( 18.240 0.000 20.194) 27.212 8.691 ( -5.504 0.000 -9.514) 10.992 8.797 ( -13.110 0.000 13.096) 18.531 9.119 ( -7.247 0.000 3.930) 8.244 9.502 ( -11.387 0.000 25.197) 27.650 10.062 ( 3.331 0.000 -7.671) 8.362 10.130 ( -12.062 0.000 -4.691) 12.942 10.263 ( -10.012 0.000 -11.634) 15.349 10.388 ( -3.701 0.000 33.779) 33.981 11.026 ( 8.137 0.000 13.267) 15.564 11.298 ( -13.135 0.000 0.000) 13.135 11.783 ( -0.039 0.000 -10.584) 10.584 11.877 ( 4.520 0.000 -15.701) 16.339 11.898 ( 4.345 0.000 3.761) 5.747 12.394 ( 2.887 0.000 -20.513) 20.716 12.756 ( -3.802 0.000 -15.100) 15.571 13.297 ( -1.954 0.000 3.843) 4.311 13.526 ( -1.773 0.000 -3.787) 4.181 13.711 ( -4.331 0.000 14.012) 14.666 14.225 ( 4.776 0.000 -2.014) 5.184 15.024 ( -2.504 0.000 3.918) 4.650 15.407 ( -0.025 0.000 -8.090) 8.090 16.129 ( 1.889 0.000 8.610) 8.815 16.802 ( -0.704 0.000 -9.654) 9.679 17.087 ( -0.214 0.000 1.508) 1.523 17.223 ( 1.350 0.000 -3.364) 3.625 17.383 ( -5.724 0.000 5.598) 8.006 17.569 ( 15.092 0.000 -8.313) 17.231 ======================= Grid point 248 (121/205) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -17.993 0.000 5.314) 18.761 2.583 ( -9.052 0.000 0.610) 9.072 3.077 ( 4.620 0.000 -5.763) 7.386 3.105 ( 7.318 0.000 9.114) 11.688 3.574 ( 2.271 0.000 0.414) 2.308 3.583 ( -12.363 0.000 -10.075) 15.949 3.679 ( 6.286 0.000 3.953) 7.426 4.069 ( -14.392 0.000 3.164) 14.736 4.230 ( -2.996 0.000 -11.273) 11.665 4.698 ( 2.529 0.000 13.690) 13.922 4.745 ( 1.179 0.000 -2.651) 2.902 4.972 ( 3.935 0.000 6.711) 7.780 5.944 ( 3.751 0.000 5.410) 6.584 6.379 ( -2.583 0.000 -6.691) 7.173 6.476 ( -3.978 0.000 6.601) 7.707 6.989 ( 1.525 0.000 -15.458) 15.533 7.893 ( -5.461 0.000 -1.020) 5.555 8.104 ( 5.353 0.000 -1.327) 5.515 8.304 ( -1.297 0.000 -3.662) 3.884 8.490 ( 12.240 0.000 6.533) 13.874 8.505 ( -15.874 0.000 -0.038) 15.874 8.611 ( 2.512 0.000 -7.258) 7.680 8.916 ( 22.529 0.000 23.723) 32.716 9.143 ( 0.256 0.000 15.754) 15.756 9.435 ( -6.035 0.000 21.323) 22.160 9.915 ( -7.390 0.000 -6.853) 10.078 9.960 ( -13.097 0.000 -14.220) 19.332 10.132 ( 7.161 0.000 -4.400) 8.405 10.446 ( -5.708 0.000 30.619) 31.147 11.044 ( -7.155 0.000 15.586) 17.150 11.276 ( 4.954 0.000 4.904) 6.971 11.679 ( -7.265 0.000 -6.048) 9.453 11.866 ( 2.182 0.000 -19.603) 19.724 12.046 ( 7.740 0.000 8.142) 11.234 12.342 ( -0.710 0.000 -15.904) 15.920 12.617 ( -0.999 0.000 -21.060) 21.084 13.341 ( 4.964 0.000 3.500) 6.073 13.502 ( 1.256 0.000 -4.422) 4.596 13.736 ( 0.383 0.000 12.894) 12.900 14.286 ( 2.960 0.000 -4.298) 5.219 15.058 ( 3.717 0.000 5.759) 6.854 15.337 ( -3.499 0.000 -8.479) 9.172 16.171 ( -1.910 0.000 8.987) 9.188 16.737 ( -1.581 0.000 -9.605) 9.734 17.089 ( -0.146 0.000 1.372) 1.380 17.229 ( 0.692 0.000 -3.346) 3.416 17.280 ( -6.583 0.000 3.429) 7.423 17.790 ( 11.476 0.000 -9.031) 14.603 ======================= Grid point 249 (122/205) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -21.956 0.000 8.477) 23.536 2.318 ( -20.615 0.000 5.333) 21.293 3.129 ( 3.538 0.000 -6.061) 7.018 3.184 ( -13.588 0.000 -1.367) 13.656 3.342 ( 3.527 0.000 11.012) 11.563 3.488 ( -5.715 0.000 -5.166) 7.704 3.792 ( -14.552 0.000 -0.184) 14.553 3.882 ( 6.525 0.000 11.444) 13.173 4.182 ( 2.676 0.000 -15.126) 15.361 4.729 ( 0.179 0.000 6.852) 6.855 4.855 ( 4.927 0.000 4.293) 6.535 5.054 ( 2.055 0.000 5.318) 5.701 6.037 ( 1.949 0.000 6.497) 6.783 6.279 ( -4.081 0.000 -7.380) 8.433 6.430 ( -2.649 0.000 11.051) 11.364 6.922 ( -0.793 0.000 -18.586) 18.603 7.795 ( -3.596 0.000 -4.199) 5.529 8.131 ( -1.129 0.000 -2.478) 2.723 8.141 ( -14.139 0.000 4.819) 14.938 8.340 ( -0.366 0.000 -4.848) 4.861 8.702 ( 10.256 0.000 -6.326) 12.050 8.807 ( 15.434 0.000 7.613) 17.209 9.069 ( -13.777 0.000 -2.629) 14.025 9.410 ( 15.186 0.000 19.628) 24.817 9.482 ( 2.864 0.000 16.443) 16.691 9.760 ( -5.461 0.000 10.879) 12.173 9.802 ( 1.125 0.000 -8.911) 8.982 10.335 ( 15.034 0.000 3.336) 15.400 10.438 ( -6.287 0.000 21.934) 22.817 10.982 ( -7.160 0.000 14.129) 15.840 11.442 ( -14.180 0.000 -6.065) 15.423 11.453 ( 11.102 0.000 10.386) 15.203 11.777 ( -4.433 0.000 -16.172) 16.769 12.224 ( -2.889 0.000 -16.554) 16.804 12.241 ( 7.804 0.000 9.717) 12.463 12.563 ( 5.200 0.000 -22.900) 23.483 13.517 ( 11.968 0.000 2.400) 12.206 13.544 ( 4.898 0.000 -3.628) 6.096 13.826 ( 2.989 0.000 12.619) 12.968 14.328 ( 3.596 0.000 -1.675) 3.967 15.189 ( 7.119 0.000 2.668) 7.602 15.201 ( -6.954 0.000 -7.387) 10.146 16.114 ( -8.552 0.000 8.836) 12.297 16.652 ( -2.997 0.000 -10.966) 11.368 17.089 ( -0.921 0.000 1.685) 1.920 17.186 ( -3.257 0.000 0.648) 3.320 17.219 ( -0.252 0.000 -2.895) 2.906 17.917 ( 5.624 0.000 -10.058) 11.524 ======================= Grid point 250 (123/205) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -20.173 0.000 14.460) 24.820 1.874 ( -26.039 0.000 12.461) 28.867 2.932 ( -12.539 0.000 14.880) 19.459 3.146 ( -0.458 0.000 -3.233) 3.266 3.348 ( -4.487 0.000 -8.872) 9.942 3.485 ( -4.996 0.000 -0.655) 5.039 3.576 ( 2.232 0.000 4.059) 4.632 4.012 ( 1.845 0.000 12.077) 12.217 4.174 ( 3.388 0.000 -16.386) 16.733 4.754 ( -1.174 0.000 4.738) 4.882 4.951 ( 3.587 0.000 3.937) 5.326 5.104 ( 1.013 0.000 4.615) 4.724 6.039 ( -3.383 0.000 4.948) 5.994 6.181 ( -2.311 0.000 -6.759) 7.143 6.549 ( 8.254 0.000 17.900) 19.712 6.809 ( -1.580 0.000 -20.860) 20.920 7.703 ( -3.853 0.000 -5.519) 6.731 7.951 ( -7.246 0.000 8.463) 11.141 8.062 ( -4.213 0.000 -3.928) 5.761 8.362 ( 3.742 0.000 -2.580) 4.545 8.717 ( -15.047 0.000 -11.984) 19.236 8.895 ( 11.286 0.000 -5.794) 12.686 9.076 ( 6.032 0.000 5.511) 8.170 9.587 ( 5.261 0.000 2.405) 5.784 9.617 ( 1.072 0.000 18.568) 18.599 9.771 ( -4.362 0.000 29.800) 30.117 9.968 ( 14.456 0.000 0.270) 14.458 10.426 ( -2.228 0.000 12.487) 12.684 10.690 ( 12.119 0.000 7.572) 14.290 10.891 ( -6.485 0.000 7.987) 10.288 11.107 ( -13.365 0.000 -8.203) 15.682 11.561 ( -11.318 0.000 -2.750) 11.647 11.784 ( 16.904 0.000 11.458) 20.421 12.139 ( 3.687 0.000 -25.317) 25.584 12.404 ( 4.505 0.000 8.310) 9.452 12.600 ( 8.208 0.000 -19.640) 21.286 13.642 ( 6.213 0.000 -2.713) 6.780 13.820 ( 18.727 0.000 1.031) 18.755 13.958 ( 4.889 0.000 13.437) 14.299 14.427 ( 6.370 0.000 2.709) 6.923 15.012 ( -9.369 0.000 -5.131) 10.682 15.329 ( 6.568 0.000 -0.918) 6.631 15.913 ( -15.600 0.000 6.848) 17.037 16.505 ( -7.690 0.000 -12.659) 14.812 17.068 ( -1.393 0.000 1.530) 2.069 17.176 ( 1.564 0.000 -0.203) 1.577 17.196 ( -0.834 0.000 -2.228) 2.379 17.900 ( -2.966 0.000 -10.469) 10.881 ======================= Grid point 251 (124/205) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -10.417 0.000 21.926) 24.274 1.604 ( -6.902 0.000 25.337) 26.261 2.825 ( -8.007 0.000 25.426) 26.657 3.062 ( -6.044 0.000 -1.459) 6.217 3.275 ( 0.663 0.000 -10.912) 10.933 3.288 ( -7.349 0.000 -10.202) 12.573 3.749 ( 7.525 0.000 4.463) 8.748 4.051 ( -3.087 0.000 8.946) 9.464 4.171 ( 3.807 0.000 -14.813) 15.295 4.724 ( -2.328 0.000 0.853) 2.479 5.026 ( 1.812 0.000 4.926) 5.249 5.136 ( 0.385 0.000 3.520) 3.541 5.996 ( -3.137 0.000 3.963) 5.054 6.155 ( 2.792 0.000 -4.744) 5.505 6.698 ( -0.179 0.000 -20.303) 20.304 6.822 ( 8.355 0.000 16.511) 18.505 7.662 ( 3.574 0.000 -1.458) 3.860 7.912 ( -0.070 0.000 2.020) 2.021 7.950 ( -5.060 0.000 -4.828) 6.994 8.377 ( -2.121 0.000 -0.357) 2.151 8.603 ( 8.816 0.000 3.096) 9.344 8.922 ( -10.812 0.000 -0.812) 10.843 9.159 ( 8.698 0.000 -7.811) 11.690 9.630 ( -9.032 0.000 24.700) 26.299 9.769 ( 9.487 0.000 -0.275) 9.491 9.838 ( -4.019 0.000 34.612) 34.844 10.283 ( 16.064 0.000 3.478) 16.436 10.385 ( -27.309 0.000 -14.048) 30.710 10.459 ( 1.083 0.000 5.044) 5.159 10.830 ( -2.018 0.000 2.635) 3.319 11.222 ( 12.587 0.000 3.807) 13.150 11.392 ( -7.424 0.000 8.178) 11.045 12.099 ( 8.862 0.000 1.207) 8.944 12.142 ( 9.021 0.000 -28.371) 29.770 12.498 ( 4.002 0.000 4.909) 6.334 12.709 ( 10.949 0.000 -15.458) 18.943 13.745 ( 5.269 0.000 -0.895) 5.345 14.126 ( 5.927 0.000 14.307) 15.486 14.199 ( 15.264 0.000 -0.916) 15.292 14.552 ( 2.170 0.000 6.421) 6.777 14.864 ( 1.195 0.000 -2.880) 3.118 15.428 ( 4.673 0.000 -2.959) 5.531 15.620 ( -14.870 0.000 2.886) 15.147 16.218 ( -16.811 0.000 -11.369) 20.294 17.059 ( -0.236 0.000 1.272) 1.293 17.173 ( -0.603 0.000 -1.730) 1.832 17.226 ( 3.254 0.000 0.698) 3.328 17.722 ( -10.474 0.000 -7.340) 12.790 ======================= Grid point 252 (125/205) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 3.490 12.863 21.666) 25.437 1.945 ( 11.379 10.444 24.016) 28.554 2.880 ( -2.041 0.242 11.732) 11.910 3.007 ( 1.004 5.460 -0.781) 5.606 3.203 ( 0.490 0.545 -4.659) 4.716 3.314 ( -1.590 13.025 -5.865) 14.373 3.811 ( -0.726 -2.813 -0.270) 2.918 3.945 ( -7.306 -1.379 4.293) 8.586 4.199 ( 5.806 -2.471 -6.371) 8.966 4.714 ( 0.533 0.480 -4.969) 5.020 5.000 ( 0.571 -3.753 5.621) 6.783 5.147 ( -2.038 -0.203 0.676) 2.157 5.964 ( -2.850 2.815 1.661) 4.336 6.310 ( 7.407 4.266 -4.117) 9.487 6.627 ( 1.312 -0.721 -14.328) 14.406 6.757 ( -4.804 -8.431 1.240) 9.783 7.805 ( 6.485 1.726 -1.344) 6.844 7.861 ( -5.738 3.818 -5.094) 8.570 8.166 ( 9.186 6.683 10.372) 15.382 8.341 ( 4.614 -6.409 11.969) 14.339 8.629 ( -14.897 1.302 -2.556) 15.170 8.919 ( 17.658 -1.507 6.930) 19.029 9.323 ( 0.624 2.002 6.782) 7.099 9.497 ( -27.805 -3.537 -10.691) 29.999 9.619 ( -4.581 5.332 16.402) 17.845 9.884 ( 0.698 -0.567 18.376) 18.398 10.024 ( -5.685 3.235 13.749) 15.225 10.554 ( 3.221 2.531 -4.301) 5.939 10.614 ( 6.676 0.192 6.555) 9.358 10.962 ( 5.804 9.065 -1.613) 10.884 11.383 ( -0.665 2.982 -1.127) 3.256 11.398 ( 6.465 1.027 4.026) 7.685 12.101 ( -6.701 1.844 -12.327) 14.151 12.209 ( 9.497 -0.556 -17.944) 20.310 12.556 ( 4.709 -7.807 -1.519) 9.243 12.806 ( 6.933 -2.274 -11.153) 13.327 13.794 ( 6.092 -5.192 5.140) 9.512 14.118 ( -12.651 -3.521 0.688) 13.150 14.206 ( 2.799 -5.276 5.793) 8.320 14.428 ( -13.880 -4.294 7.385) 16.299 15.073 ( 0.087 -23.783 -2.125) 23.878 15.141 ( 19.834 -8.325 -7.762) 22.868 15.472 ( 4.227 -6.903 4.517) 9.270 15.572 ( -14.070 -20.158 1.603) 24.635 17.074 ( -0.147 1.870 1.689) 2.524 17.224 ( 1.642 9.220 -2.226) 9.626 17.543 ( 2.326 19.322 -0.215) 19.462 17.881 ( -7.160 26.242 -11.348) 29.474 ======================= Grid point 253 (126/205) ======================= q-point: ( 0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 12.715 10.210 19.624) 25.516 2.262 ( 9.266 5.030 21.891) 24.298 2.923 ( 4.802 -0.764 -3.963) 6.272 3.033 ( 1.948 0.232 -11.746) 11.909 3.234 ( 1.738 6.607 -8.698) 11.061 3.333 ( 7.651 15.283 8.897) 19.268 3.738 ( -6.449 -4.057 2.479) 8.013 3.837 ( -3.346 -0.014 5.811) 6.705 4.313 ( 6.100 -5.496 -0.910) 8.261 4.708 ( 1.385 -0.901 -8.320) 8.483 5.011 ( -3.579 0.457 7.785) 8.581 5.096 ( -1.762 -1.170 -1.753) 2.747 5.912 ( -2.124 4.862 -1.055) 5.410 6.458 ( 8.042 -0.129 -11.053) 13.670 6.618 ( -5.230 -3.167 -3.536) 7.063 6.643 ( 4.347 -0.914 -1.659) 4.741 7.708 ( -4.928 -2.197 -2.967) 6.158 7.967 ( 8.711 6.089 -2.898) 11.017 8.264 ( -9.544 2.833 -0.947) 10.000 8.357 ( -6.881 9.696 15.736) 19.722 8.539 ( 7.583 -11.677 6.992) 15.580 8.838 ( -25.993 -4.467 -7.204) 27.340 9.344 ( 4.950 6.000 0.694) 7.810 9.439 ( 15.184 -2.259 16.330) 22.413 9.613 ( -2.106 7.089 21.412) 22.653 9.930 ( -8.641 3.940 28.874) 30.396 9.991 ( -0.248 -2.422 0.517) 2.489 10.538 ( -1.670 5.709 -7.423) 9.512 10.721 ( 1.217 -1.707 1.311) 2.472 10.974 ( -5.574 4.746 0.183) 7.323 11.391 ( 7.040 5.652 -12.603) 15.503 11.605 ( 10.758 0.089 3.785) 11.405 11.856 ( -10.261 0.892 -7.293) 12.621 12.345 ( 11.764 -3.726 -18.489) 22.229 12.578 ( -3.471 -1.782 -4.592) 6.026 12.780 ( -3.023 -7.386 -12.902) 15.171 13.797 ( -16.799 -1.346 -1.483) 16.918 13.942 ( 4.959 -2.806 8.785) 10.471 14.092 ( -19.344 -4.471 5.078) 20.493 14.192 ( -9.960 -1.842 9.782) 14.081 14.925 ( -3.557 -24.196 -3.788) 24.747 15.366 ( -2.845 -10.179 -2.647) 10.896 15.629 ( 8.245 -7.528 6.077) 12.711 15.779 ( 31.865 -21.075 -6.712) 38.788 17.089 ( 1.468 3.160 1.151) 3.669 17.249 ( 2.043 9.263 -2.764) 9.880 17.572 ( -0.297 18.356 0.768) 18.374 17.703 ( -6.167 24.409 -7.081) 26.153 ======================= Grid point 254 (127/205) ======================= q-point: ( 0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 14.640 5.783 15.331) 21.973 2.486 ( 5.620 4.596 19.823) 21.110 2.990 ( 0.894 0.007 -13.964) 13.993 3.022 ( 7.648 1.404 -9.246) 12.081 3.164 ( -3.174 7.404 -12.414) 14.799 3.549 ( 7.023 1.589 -5.521) 9.074 3.683 ( 1.542 0.174 5.456) 5.673 3.930 ( 7.750 2.075 21.600) 23.042 4.371 ( -0.845 -8.577 0.880) 8.664 4.693 ( 1.309 -1.701 -10.235) 10.457 4.917 ( -7.663 2.809 5.211) 9.684 5.080 ( -0.568 1.477 -0.894) 1.818 5.884 ( -0.031 5.653 -3.105) 6.449 6.450 ( -2.049 -2.499 -2.569) 4.129 6.549 ( 1.622 3.481 -11.652) 12.269 6.831 ( 10.566 -3.484 2.287) 11.358 7.652 ( -0.086 -4.121 0.027) 4.122 7.986 ( -9.507 0.629 -5.535) 11.019 8.130 ( 7.082 7.463 -2.879) 10.684 8.341 ( -8.360 6.228 13.592) 17.129 8.457 ( -7.993 7.924 4.860) 12.260 8.640 ( 0.171 -10.953 7.393) 13.216 9.274 ( -8.581 10.899 -0.087) 13.872 9.650 ( -1.789 2.537 26.228) 26.411 9.805 ( -13.830 1.578 23.795) 27.567 9.934 ( 9.233 -5.544 7.230) 12.971 10.029 ( 11.227 -1.596 3.310) 11.813 10.422 ( -7.334 4.975 0.106) 8.863 10.698 ( -2.215 4.457 -2.867) 5.744 10.780 ( -12.164 4.904 -0.557) 13.127 11.532 ( 13.486 -0.615 -17.798) 22.339 11.685 ( -5.507 -3.135 1.144) 6.439 11.804 ( 6.953 0.435 -0.712) 7.003 12.298 ( -16.600 1.890 -14.760) 22.293 12.471 ( 4.803 -3.092 -19.779) 20.587 12.708 ( 2.067 -8.730 -4.324) 9.959 13.525 ( -10.730 -0.474 1.384) 10.829 13.755 ( -16.304 -4.176 3.932) 17.284 14.000 ( -11.362 0.405 12.698) 17.045 14.056 ( 1.201 -2.086 2.894) 3.764 14.879 ( -0.285 -22.308 -4.454) 22.750 15.347 ( 1.351 -8.274 -1.618) 8.538 15.805 ( 6.718 -8.046 6.918) 12.560 16.281 ( 22.534 -21.343 -9.995) 32.607 17.158 ( 6.092 4.550 -0.187) 7.606 17.274 ( 1.837 8.441 -3.305) 9.249 17.490 ( -6.107 20.984 -4.148) 22.245 17.632 ( -1.437 15.713 1.876) 15.890 ======================= Grid point 255 (128/205) ======================= q-point: ( 0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 7.080 0.234 11.643) 13.629 2.697 ( 8.844 5.408 10.899) 15.042 2.969 ( 2.026 2.136 -4.317) 5.225 3.021 ( -6.222 4.300 -8.542) 11.409 3.129 ( 7.844 0.760 -9.741) 12.530 3.599 ( 2.944 -3.780 -3.191) 5.756 3.782 ( 6.311 4.001 -5.216) 9.113 4.218 ( 8.315 0.091 18.338) 20.136 4.308 ( -5.003 -9.417 3.907) 11.356 4.642 ( -2.522 -7.280 -9.339) 12.106 4.822 ( -3.000 9.790 3.774) 10.912 5.036 ( -3.616 3.897 -1.986) 5.675 5.876 ( 0.635 4.571 -3.131) 5.577 6.437 ( 0.493 -0.105 0.341) 0.609 6.546 ( 2.033 5.628 -4.311) 7.375 6.980 ( 5.503 -3.087 -7.583) 9.864 7.698 ( 3.789 -6.922 4.262) 8.969 7.932 ( 5.208 -1.237 3.522) 6.408 8.182 ( -1.850 4.358 -0.161) 4.737 8.260 ( -0.425 4.858 5.070) 7.034 8.496 ( 4.425 17.074 10.387) 20.469 8.646 ( -1.935 -8.408 4.500) 9.731 9.085 ( -11.434 10.754 6.193) 16.875 9.545 ( -16.991 9.494 1.367) 19.511 9.648 ( -10.277 2.521 26.072) 28.137 9.934 ( -1.292 -8.316 -4.772) 9.675 10.314 ( 1.058 2.962 13.446) 13.809 10.376 ( -1.548 -4.760 12.659) 13.613 10.496 ( -10.928 5.377 1.281) 12.246 10.760 ( 9.244 3.896 -1.573) 10.154 11.534 ( -12.391 -5.572 0.446) 13.594 11.726 ( 12.237 -2.479 -12.421) 17.612 11.874 ( -3.977 1.162 -7.294) 8.389 11.923 ( -5.695 0.926 -10.581) 12.052 12.429 ( 1.941 -1.676 -19.692) 19.858 12.765 ( 3.101 -6.598 -6.747) 9.933 13.390 ( -4.979 0.672 2.199) 5.484 13.501 ( -11.055 -6.685 1.793) 13.043 13.848 ( -8.144 3.419 8.512) 12.266 14.084 ( 0.985 -6.054 0.408) 6.147 14.873 ( 0.977 -16.457 -0.085) 16.486 15.368 ( 1.121 -5.966 -3.065) 6.800 15.941 ( 4.123 -8.683 7.620) 12.266 16.542 ( 9.512 -18.133 -8.790) 22.283 17.284 ( 0.391 6.795 -2.386) 7.212 17.333 ( 11.151 3.340 -5.298) 12.790 17.364 ( -3.398 17.668 -2.190) 18.124 17.607 ( -2.689 13.129 3.388) 13.823 ======================= Grid point 256 (129/205) ======================= q-point: (-0.56 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 0.665 1.191 2.632) 2.965 2.739 ( -9.762 3.281 1.938) 10.480 2.943 ( 2.047 -0.738 4.366) 4.879 3.048 ( 5.728 4.863 -2.045) 7.787 3.268 ( 9.261 -4.967 -0.537) 10.523 3.639 ( 1.934 -2.817 -1.820) 3.871 3.825 ( 0.957 5.420 -12.373) 13.542 4.224 ( -2.912 -9.739 -0.049) 10.165 4.309 ( -7.072 2.368 9.951) 12.436 4.615 ( 3.905 -5.485 -1.796) 6.968 4.818 ( -1.432 10.204 6.688) 12.284 4.948 ( -2.565 3.392 -2.374) 4.871 5.894 ( 2.192 2.922 0.760) 3.731 6.431 ( -1.224 1.009 -1.730) 2.347 6.585 ( 1.597 7.334 1.888) 7.740 7.007 ( 2.799 -0.842 -12.094) 12.442 7.824 ( 5.367 -7.746 7.034) 11.760 8.113 ( 5.624 3.057 1.080) 6.491 8.161 ( 3.735 -0.578 -0.064) 3.780 8.331 ( 5.675 4.393 7.876) 10.655 8.577 ( -3.751 -3.738 2.724) 5.955 8.683 ( 6.991 11.679 4.845) 14.448 8.889 ( -12.324 9.745 7.847) 17.562 9.273 ( -8.527 12.031 3.918) 15.258 9.549 ( -10.554 4.394 25.864) 28.278 9.875 ( -2.782 -11.210 -6.501) 13.253 10.171 ( -11.403 3.860 -5.008) 13.039 10.387 ( -6.468 0.689 19.792) 20.834 10.414 ( 0.118 6.575 3.853) 7.622 11.007 ( 10.984 -1.785 6.493) 12.884 11.233 ( -15.422 -4.574 1.904) 16.198 11.677 ( -7.061 -7.745 -4.927) 11.581 11.872 ( 7.003 -0.464 -16.543) 17.970 11.969 ( 6.818 3.706 -0.369) 7.769 12.402 ( 3.089 0.411 -17.216) 17.496 12.727 ( -1.961 -3.393 -13.607) 14.160 13.305 ( -4.434 -0.305 2.171) 4.947 13.383 ( -2.025 -9.962 0.718) 10.191 13.766 ( -3.902 3.496 6.358) 8.239 14.114 ( 2.656 -10.217 -2.929) 10.955 14.925 ( 3.463 -7.836 4.753) 9.798 15.347 ( -1.501 -5.264 -5.211) 7.557 16.028 ( 1.239 -9.579 8.103) 12.608 16.609 ( 2.088 -14.010 -7.716) 16.130 17.231 ( -4.325 8.367 -0.301) 9.424 17.305 ( 0.233 8.858 -5.185) 10.266 17.541 ( -0.652 10.470 2.228) 10.724 17.604 ( 11.520 5.627 -4.691) 13.652 ======================= Grid point 257 (130/205) ======================= q-point: (-0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -17.916 2.461 4.271) 18.582 2.617 ( -8.663 3.101 1.676) 9.352 3.039 ( 3.684 -2.659 2.465) 5.169 3.145 ( 6.510 2.938 -0.823) 7.189 3.421 ( 4.287 -8.561 1.782) 9.739 3.600 ( -8.217 -1.409 -4.373) 9.414 3.753 ( -0.690 3.644 -2.607) 4.533 4.123 ( -7.832 3.706 -3.530) 9.356 4.216 ( -2.131 0.092 0.665) 2.234 4.694 ( 2.521 -2.980 1.283) 4.108 4.800 ( -0.855 8.757 7.211) 11.377 4.968 ( 3.112 -1.007 1.757) 3.713 5.970 ( 3.951 2.482 6.082) 7.665 6.370 ( -3.942 0.595 -3.301) 5.176 6.588 ( -2.773 8.366 2.997) 9.309 6.991 ( 1.126 -0.269 -13.872) 13.921 7.894 ( -0.842 -0.353 2.539) 2.698 8.147 ( 1.953 3.462 0.118) 3.977 8.257 ( 0.497 -1.072 -3.101) 3.319 8.473 ( 2.897 -6.213 -0.159) 6.857 8.559 ( -13.329 5.273 -0.774) 14.355 8.596 ( 9.760 3.035 3.048) 10.665 9.012 ( 14.522 8.673 17.653) 24.449 9.266 ( 0.545 9.956 15.298) 18.260 9.483 ( -7.922 4.578 23.121) 24.866 9.750 ( -6.207 -10.705 -8.155) 14.820 9.980 ( -5.370 5.108 -6.869) 10.105 10.298 ( -2.766 6.560 2.612) 7.583 10.499 ( 0.249 5.825 18.876) 19.756 11.019 ( -8.027 -2.930 10.358) 13.427 11.190 ( 4.014 -6.640 4.091) 8.772 11.527 ( -7.769 -11.204 -0.077) 13.634 11.890 ( 4.197 1.972 -17.584) 18.185 12.133 ( 7.891 4.663 2.519) 9.506 12.367 ( -0.017 2.444 -13.836) 14.051 12.613 ( -1.000 -0.834 -19.922) 19.965 13.297 ( 2.590 -5.982 3.171) 7.249 13.384 ( 1.959 -8.938 0.331) 9.156 13.750 ( -0.435 1.711 5.515) 5.791 14.160 ( 3.797 -10.452 -3.672) 11.711 15.043 ( 5.955 -2.358 5.716) 8.585 15.264 ( -4.445 -5.693 -6.659) 9.824 16.050 ( -2.983 -10.998 8.233) 14.058 16.576 ( -1.778 -12.600 -7.938) 14.998 17.155 ( -3.454 5.410 0.535) 6.441 17.283 ( -0.882 6.321 -2.798) 6.968 17.490 ( -2.589 14.690 -0.355) 14.920 17.840 ( 13.222 4.838 -7.189) 15.809 ======================= Grid point 258 (131/205) ======================= q-point: (-0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -20.403 3.842 7.879) 22.207 2.368 ( -18.903 4.628 5.530) 20.232 3.075 ( 0.709 -3.390 -4.460) 5.647 3.276 ( 0.501 3.958 -2.196) 4.554 3.337 ( -7.395 1.064 4.565) 8.756 3.458 ( -1.846 -2.668 0.128) 3.247 3.760 ( -1.456 -4.010 1.575) 4.548 3.948 ( -8.327 9.248 6.991) 14.274 4.216 ( 3.234 1.042 -10.866) 11.385 4.731 ( 1.484 -1.346 4.275) 4.721 4.856 ( 2.073 3.231 4.066) 5.592 5.040 ( 3.103 -1.833 2.771) 4.546 6.073 ( 1.850 3.470 8.005) 8.918 6.277 ( -2.574 -0.432 -3.258) 4.174 6.520 ( -5.021 7.637 5.300) 10.565 6.921 ( -1.366 -0.402 -16.730) 16.790 7.854 ( -2.428 4.672 -3.772) 6.477 8.117 ( -7.601 0.602 6.094) 9.761 8.155 ( -6.704 -0.455 -3.779) 7.709 8.374 ( -2.757 4.070 -1.528) 5.148 8.557 ( 5.342 -8.436 -7.537) 12.511 8.870 ( 14.414 4.890 7.545) 16.989 9.227 ( -7.705 9.238 -0.017) 12.030 9.398 ( 9.009 1.663 19.040) 21.130 9.472 ( -0.681 -0.831 16.328) 16.363 9.682 ( 2.369 -5.088 7.900) 9.691 9.924 ( 2.953 9.745 -2.457) 10.475 10.334 ( 1.002 1.961 15.888) 16.040 10.590 ( 4.061 10.047 7.426) 13.137 10.963 ( -3.483 -3.113 10.491) 11.484 11.205 ( -4.896 -12.304 -2.410) 13.460 11.407 ( -3.647 -8.003 7.460) 11.533 11.898 ( 3.257 8.201 -12.333) 15.164 12.183 ( -2.423 -1.404 -10.605) 10.969 12.362 ( 5.103 7.431 -0.362) 9.021 12.549 ( 3.890 -1.622 -21.062) 21.480 13.407 ( 6.483 -9.878 2.565) 12.091 13.487 ( 9.029 -7.162 1.386) 11.607 13.797 ( 2.808 -0.475 5.490) 6.185 14.241 ( 6.125 -7.346 -1.270) 9.649 15.114 ( -6.674 -4.774 -6.493) 10.464 15.189 ( 5.368 -3.433 2.907) 7.004 15.970 ( -9.345 -12.421 7.639) 17.319 16.470 ( -5.863 -14.518 -8.254) 17.700 17.105 ( -2.242 2.674 1.543) 3.815 17.248 ( -1.604 6.864 -1.562) 7.220 17.456 ( -0.078 16.609 -2.741) 16.834 18.027 ( 9.679 8.935 -9.919) 16.489 ======================= Grid point 259 (132/205) ======================= q-point: (-0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -15.810 8.622 14.136) 22.894 1.979 ( -22.807 9.054 11.133) 26.945 3.000 ( -8.568 3.500 8.652) 12.670 3.150 ( -3.304 1.776 -3.066) 4.844 3.293 ( -3.780 -4.094 -6.266) 8.385 3.506 ( 1.613 1.535 1.518) 2.695 3.666 ( -4.097 7.730 5.396) 10.279 3.946 ( 2.246 -3.429 6.666) 7.825 4.212 ( 1.189 1.422 -11.342) 11.493 4.778 ( 0.266 0.838 2.991) 3.118 4.896 ( 1.409 -2.234 2.853) 3.888 5.107 ( 2.510 -0.756 2.509) 3.628 6.054 ( -4.469 2.719 3.654) 6.381 6.265 ( -0.026 4.886 -3.219) 5.851 6.532 ( 3.922 -0.354 14.079) 14.620 6.806 ( -1.965 -0.457 -19.182) 19.288 7.758 ( -5.157 4.405 -4.789) 8.303 8.000 ( -4.567 4.563 7.683) 10.035 8.057 ( -2.963 -0.764 -1.530) 3.422 8.340 ( -1.089 -2.208 -3.720) 4.461 8.580 ( -0.006 -4.052 -6.399) 7.574 9.060 ( -5.742 6.875 -1.951) 9.167 9.136 ( 8.174 6.286 3.874) 11.015 9.539 ( 4.209 -2.790 8.108) 9.552 9.554 ( 0.789 -3.496 18.614) 18.956 9.813 ( 0.693 2.549 20.283) 20.454 10.102 ( 12.501 9.241 4.541) 16.195 10.422 ( 0.749 2.000 14.207) 14.367 10.666 ( -3.840 -2.273 2.587) 5.158 10.978 ( -12.275 -7.690 -7.253) 16.200 11.023 ( 7.789 7.044 8.133) 13.283 11.439 ( 0.294 -7.105 5.313) 8.876 11.920 ( 2.708 6.580 3.283) 7.836 12.123 ( 5.841 0.571 -21.988) 22.757 12.470 ( 5.538 4.245 1.134) 7.069 12.559 ( 4.641 -3.244 -16.175) 17.137 13.548 ( 6.930 -8.434 1.222) 10.984 13.729 ( 13.925 -10.845 3.627) 18.019 13.921 ( 8.533 0.040 5.513) 10.159 14.384 ( 7.975 -4.601 2.257) 9.480 14.927 ( -9.007 -6.036 -5.689) 12.244 15.288 ( 3.498 -5.497 -0.233) 6.519 15.757 ( -15.415 -12.532 5.972) 20.745 16.264 ( -12.421 -19.018 -7.293) 23.857 17.081 ( -1.163 1.497 2.074) 2.810 17.217 ( -0.657 7.997 -1.711) 8.205 17.462 ( 1.864 18.394 -2.913) 18.717 18.108 ( 3.557 15.252 -12.998) 20.352 ======================= Grid point 260 (133/205) ======================= q-point: (-0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -9.247 14.302 17.987) 24.771 1.734 ( -4.121 12.081 23.108) 26.399 2.901 ( -7.338 4.916 18.836) 20.804 3.058 ( -4.330 1.357 -4.002) 6.051 3.228 ( 0.289 -3.745 -8.691) 9.468 3.410 ( -6.011 10.530 -3.680) 12.671 3.752 ( 5.152 0.647 5.153) 7.315 4.002 ( -0.430 -3.670 5.175) 6.359 4.178 ( 1.036 -0.153 -10.770) 10.821 4.749 ( -2.351 1.846 -1.875) 3.529 4.951 ( 2.057 -5.030 4.490) 7.049 5.152 ( 0.900 -0.035 1.845) 2.053 6.000 ( -2.556 1.638 3.397) 4.556 6.248 ( 1.148 6.920 -3.437) 7.811 6.687 ( 0.598 -2.500 -12.493) 12.754 6.727 ( 4.558 -5.963 5.787) 9.477 7.695 ( 1.880 2.853 -1.170) 3.612 7.982 ( -1.785 7.097 1.189) 7.414 8.026 ( 0.552 3.875 0.358) 3.931 8.283 ( -2.326 -6.888 2.172) 7.588 8.619 ( 7.739 2.693 2.305) 8.512 8.911 ( -10.878 -0.795 -0.304) 10.911 9.258 ( 5.065 6.933 -0.478) 8.599 9.604 ( -3.294 -0.879 20.483) 20.765 9.714 ( 6.603 -3.794 7.508) 10.694 9.880 ( -4.885 2.673 22.628) 23.303 10.256 ( -16.876 -7.395 -3.949) 18.843 10.386 ( 5.563 7.044 3.802) 9.748 10.538 ( 1.169 5.542 2.648) 6.253 10.870 ( 1.949 3.119 -0.170) 3.682 11.238 ( 8.731 0.540 2.779) 9.178 11.430 ( -3.598 3.706 8.901) 10.291 12.044 ( 11.715 -5.552 -16.985) 21.367 12.190 ( 5.250 5.315 -7.037) 10.263 12.520 ( -0.389 -0.832 -3.330) 3.454 12.649 ( 11.857 -3.325 -10.237) 16.014 13.672 ( 5.639 -6.653 1.074) 8.788 14.001 ( 10.160 -11.403 11.132) 18.899 14.175 ( 12.714 -1.218 -1.176) 12.826 14.507 ( 0.542 -5.301 6.108) 8.106 14.791 ( 1.728 -5.123 -3.290) 6.329 15.292 ( -4.026 -13.892 -4.574) 15.169 15.491 ( -10.754 -8.587 4.545) 14.493 15.928 ( -19.346 -22.112 -3.350) 29.571 17.073 ( -0.620 1.326 2.032) 2.504 17.210 ( 0.693 8.721 -1.957) 8.965 17.497 ( 2.727 19.652 -1.878) 19.929 18.047 ( -3.469 22.287 -13.857) 26.472 ======================= Grid point 261 (134/205) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 2.658 15.864 17.034) 23.429 2.197 ( 5.811 13.157 18.340) 23.308 2.858 ( -0.607 -2.398 2.681) 3.648 3.013 ( -0.128 -4.748 -5.544) 7.300 3.340 ( 5.263 11.376 -0.157) 12.535 3.624 ( 0.640 10.204 -4.103) 11.016 3.789 ( -4.003 5.062 7.328) 9.764 3.910 ( -4.157 -1.554 2.045) 4.886 4.142 ( 1.779 -2.287 -5.395) 6.124 4.700 ( -0.892 -2.379 -6.749) 7.211 4.928 ( 3.026 -2.444 2.702) 4.736 5.136 ( -1.070 -0.635 -1.627) 2.048 6.040 ( -0.968 4.208 1.492) 4.568 6.376 ( 2.672 0.444 -2.701) 3.825 6.583 ( -0.429 -2.276 -2.315) 3.275 6.647 ( 1.330 -1.652 -12.203) 12.386 7.856 ( 6.994 2.765 1.101) 7.601 7.917 ( -8.801 1.063 -2.390) 9.181 8.163 ( 6.784 -4.147 5.569) 9.707 8.324 ( 0.626 1.318 24.886) 24.929 8.714 ( -9.451 6.430 0.128) 11.432 8.914 ( 8.471 2.642 6.321) 10.895 9.206 ( -11.459 -8.187 0.997) 14.119 9.550 ( -10.696 5.017 8.379) 14.484 9.744 ( -0.595 4.214 18.629) 19.109 9.928 ( 1.208 5.524 -8.201) 9.962 10.093 ( -4.876 4.544 28.770) 29.532 10.523 ( 3.974 -1.617 2.551) 4.992 10.768 ( 1.121 10.268 0.400) 10.336 11.134 ( 5.040 4.723 0.325) 6.915 11.314 ( 8.030 -3.545 -6.184) 10.738 11.484 ( -1.071 1.163 9.540) 9.670 12.057 ( 7.192 -3.995 -18.590) 20.330 12.261 ( -2.510 -13.252 -6.413) 14.934 12.339 ( 0.751 5.448 -5.832) 8.016 12.790 ( 4.436 -0.180 -10.973) 11.838 13.656 ( 7.372 -7.314 8.215) 13.241 14.011 ( 6.723 -9.375 8.284) 14.203 14.083 ( -9.759 -3.664 -3.911) 11.134 14.302 ( -9.760 -6.464 2.540) 11.978 14.693 ( -12.892 -11.101 1.283) 17.061 14.906 ( 14.598 -14.311 -2.478) 20.593 15.188 ( -6.529 -14.655 -3.750) 16.476 15.270 ( 5.151 -12.242 0.161) 13.282 17.201 ( -0.160 9.262 5.028) 10.540 17.415 ( 0.803 8.069 2.336) 8.438 17.957 ( 2.094 19.463 -5.077) 20.223 18.334 ( -3.734 16.262 -17.236) 23.989 ======================= Grid point 262 (135/205) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 8.952 12.535 16.273) 22.407 2.405 ( 7.324 8.718 18.026) 21.320 2.916 ( 6.007 -0.638 -0.930) 6.112 2.994 ( 0.691 -3.282 -6.205) 7.053 3.419 ( 3.000 9.243 -9.810) 13.809 3.564 ( -3.795 -0.008 -6.965) 7.931 3.786 ( -1.673 13.044 4.471) 13.890 3.845 ( 0.101 3.223 10.540) 11.022 4.179 ( 2.772 -7.068 -1.597) 7.758 4.657 ( -0.733 -3.947 -7.233) 8.272 5.010 ( 3.411 -1.180 3.783) 5.229 5.090 ( -2.148 1.146 -3.865) 4.568 6.029 ( -0.503 5.910 0.277) 5.938 6.410 ( 0.957 -3.396 -2.509) 4.329 6.598 ( 3.819 0.432 -7.477) 8.407 6.631 ( 3.300 -0.226 -7.081) 7.816 7.728 ( -6.556 4.134 -0.402) 7.760 8.057 ( 8.892 1.650 2.814) 9.472 8.203 ( -7.554 -7.680 1.738) 10.912 8.427 ( 0.718 -0.437 15.188) 15.211 8.605 ( -3.045 13.565 9.045) 16.586 8.769 ( -15.551 -0.686 0.463) 15.573 9.322 ( 16.431 -4.793 10.083) 19.866 9.491 ( -2.685 4.799 14.459) 15.470 9.750 ( -6.002 5.166 15.365) 17.286 9.919 ( 0.250 -3.142 1.374) 3.438 10.085 ( -9.201 10.376 21.387) 25.490 10.603 ( 2.870 0.176 0.315) 2.892 10.790 ( 2.511 7.768 -4.013) 9.097 11.092 ( -7.159 5.959 1.111) 9.381 11.431 ( 6.709 -2.731 -12.358) 14.324 11.599 ( 5.938 -1.684 10.446) 12.133 11.921 ( -11.375 5.482 -13.666) 18.607 12.222 ( 9.083 -8.392 -15.432) 19.775 12.423 ( 2.720 -10.992 2.425) 11.580 12.692 ( -8.581 -1.624 -17.118) 19.217 13.765 ( -11.215 -2.400 -4.015) 12.151 13.863 ( 3.120 -3.529 10.322) 11.346 13.968 ( -15.822 -6.746 6.451) 18.370 14.148 ( -6.557 -2.880 4.214) 8.309 14.527 ( -3.403 -12.114 -3.201) 12.984 14.988 ( 0.493 -22.195 2.137) 22.303 15.393 ( 13.908 -13.233 -1.314) 19.242 15.464 ( 20.515 -11.632 -4.802) 24.067 17.232 ( 1.335 9.454 4.459) 10.538 17.440 ( 0.681 8.031 1.801) 8.258 17.950 ( -0.857 17.477 -3.628) 17.871 18.154 ( -7.143 17.499 -14.058) 23.555 ======================= Grid point 263 (136/205) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 7.740 6.371 14.205) 17.386 2.636 ( 8.884 9.634 14.727) 19.713 2.979 ( 0.807 -1.648 -3.869) 4.282 3.054 ( 8.455 1.653 -7.351) 11.325 3.317 ( -6.444 5.480 -12.958) 15.474 3.498 ( -1.152 -3.735 -0.404) 3.930 3.782 ( 3.337 6.566 -5.618) 9.264 4.007 ( 7.741 5.834 14.901) 17.776 4.198 ( -0.896 -7.747 0.283) 7.804 4.599 ( -2.573 -5.299 -5.860) 8.308 5.033 ( -1.249 4.662 -5.252) 7.133 5.075 ( 1.591 -0.144 2.089) 2.630 6.024 ( 0.224 7.288 -2.499) 7.708 6.410 ( 0.776 -1.291 0.123) 1.511 6.619 ( 3.533 2.815 -9.482) 10.503 6.747 ( 8.107 -3.754 -1.503) 9.060 7.659 ( -1.863 4.327 2.130) 5.170 7.975 ( -9.197 -1.672 -3.845) 10.108 8.228 ( 4.776 0.361 8.262) 9.550 8.375 ( -8.154 -1.597 4.324) 9.367 8.610 ( -0.315 10.853 4.576) 11.782 8.699 ( 1.592 12.319 16.830) 20.917 9.477 ( -6.170 7.691 9.272) 13.535 9.634 ( 5.763 -6.375 9.658) 12.928 9.728 ( -1.732 -5.175 16.334) 17.222 9.923 ( -6.273 3.010 15.227) 16.742 10.006 ( 0.465 1.694 10.974) 11.114 10.582 ( -4.731 8.004 -1.464) 9.412 10.808 ( 0.797 5.506 -5.610) 7.901 10.906 ( -12.587 7.781 1.136) 14.842 11.501 ( 8.300 -2.952 -12.728) 15.480 11.630 ( -7.789 -1.773 1.690) 8.165 11.796 ( 4.705 -0.899 -3.615) 6.001 12.313 ( -3.365 -2.472 -16.778) 17.290 12.353 ( -8.936 -7.539 -13.695) 18.007 12.479 ( 4.054 -11.840 -0.537) 12.526 13.509 ( -10.636 -1.084 -5.157) 11.870 13.689 ( -13.238 -1.939 2.750) 13.659 13.956 ( -2.372 -4.631 8.996) 10.392 14.022 ( -6.708 -1.955 2.221) 7.331 14.492 ( 1.761 -12.311 -0.736) 12.458 15.083 ( 7.063 -14.499 0.562) 16.138 15.574 ( 6.777 -13.418 3.651) 15.469 15.879 ( 21.275 -17.570 -8.661) 28.920 17.301 ( 4.332 8.512 3.093) 10.040 17.452 ( -0.158 7.738 0.911) 7.793 17.880 ( -5.275 16.245 -5.399) 17.913 17.972 ( -5.604 15.400 -7.028) 17.832 ======================= Grid point 264 (137/205) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 5.525 2.840 11.492) 13.063 2.818 ( 4.417 6.403 3.116) 8.380 3.031 ( 4.567 3.058 4.889) 7.356 3.108 ( -4.969 0.880 -9.216) 10.508 3.149 ( 0.366 3.519 -6.294) 7.220 3.520 ( 3.033 -3.849 -0.381) 4.915 3.838 ( 5.389 1.373 -9.812) 11.278 4.123 ( -3.612 -8.472 0.333) 9.216 4.258 ( 7.770 3.719 13.827) 16.291 4.514 ( -3.042 -3.884 -3.595) 6.105 4.991 ( -0.225 3.770 -8.563) 9.359 5.089 ( -1.183 3.407 2.544) 4.413 6.006 ( -0.415 7.699 -4.044) 8.706 6.450 ( 2.323 0.957 1.141) 2.760 6.662 ( 3.642 4.987 -1.708) 6.408 6.883 ( 6.932 -5.332 -5.028) 10.087 7.635 ( -0.953 0.880 4.339) 4.528 7.936 ( 5.113 0.511 0.918) 5.219 8.265 ( -2.692 3.630 2.544) 5.186 8.338 ( 0.278 -0.342 12.854) 12.861 8.619 ( -0.771 9.325 2.956) 9.813 8.826 ( 4.014 14.002 11.426) 18.512 9.343 ( -9.694 13.800 4.850) 17.548 9.655 ( -7.923 -3.329 9.245) 12.623 9.685 ( -6.727 0.678 16.799) 18.109 9.839 ( -7.342 3.205 7.955) 11.290 10.191 ( 6.561 -10.062 11.210) 16.430 10.478 ( -4.236 10.133 6.581) 12.804 10.625 ( -14.305 7.514 1.515) 16.230 10.835 ( 4.272 2.490 -6.858) 8.455 11.443 ( -11.653 -2.612 0.694) 11.962 11.638 ( 6.579 -5.649 -4.598) 9.815 11.885 ( 2.645 -0.762 -6.822) 7.357 11.914 ( -10.160 -2.158 -18.547) 21.257 12.352 ( 1.810 -6.357 -5.989) 8.920 12.565 ( 5.035 -11.779 -6.607) 14.413 13.319 ( -7.158 -4.413 -4.286) 9.438 13.468 ( -10.216 -0.346 -2.973) 10.646 13.887 ( -5.682 -3.807 5.153) 8.564 13.930 ( -3.083 -3.313 -0.537) 4.557 14.597 ( 7.093 -8.114 4.974) 11.869 15.204 ( 4.936 -7.988 -1.663) 9.536 15.694 ( 3.703 -14.395 5.478) 15.841 16.167 ( 12.547 -18.351 -8.922) 23.954 17.420 ( 5.744 5.315 -0.285) 7.831 17.439 ( -0.682 7.136 0.892) 7.224 17.728 ( -5.301 16.400 -6.510) 18.424 17.879 ( -3.255 12.118 -1.420) 12.627 ======================= Grid point 265 (138/205) ======================= q-point: (-0.56 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 1.960 2.838 6.116) 7.022 2.819 ( -8.661 4.264 -0.870) 9.693 2.939 ( -2.104 0.380 3.158) 3.813 3.156 ( 2.557 -4.680 -3.233) 6.236 3.178 ( 4.368 6.363 0.839) 7.763 3.583 ( 3.184 -2.648 0.458) 4.167 3.856 ( 0.112 -3.112 -14.913) 15.235 4.053 ( -1.582 -7.041 0.013) 7.217 4.375 ( -2.116 3.832 9.326) 10.302 4.554 ( 7.672 0.831 3.408) 8.436 4.948 ( -0.394 1.306 -7.168) 7.297 5.053 ( -3.314 7.224 1.619) 8.111 5.993 ( 0.807 6.839 -0.693) 6.921 6.470 ( -0.839 2.102 -1.144) 2.536 6.732 ( 2.567 5.887 2.319) 6.829 6.958 ( 3.682 -3.874 -7.547) 9.248 7.711 ( 5.551 -2.310 8.422) 10.348 8.094 ( 9.004 -2.466 1.930) 9.533 8.251 ( 0.067 4.713 0.407) 4.731 8.386 ( -0.592 -0.363 8.534) 8.562 8.609 ( -0.822 10.038 3.327) 10.607 8.901 ( -2.923 10.422 5.557) 12.167 9.185 ( -6.255 15.440 3.245) 16.972 9.498 ( -8.579 6.292 10.017) 14.613 9.654 ( -7.152 4.694 25.146) 26.562 9.734 ( -4.682 1.585 -0.546) 4.973 10.238 ( -5.481 -1.660 5.839) 8.179 10.382 ( -9.083 3.859 8.158) 12.804 10.529 ( 3.152 4.355 5.496) 7.688 10.915 ( 3.276 -6.404 0.059) 7.193 11.213 ( -10.149 1.907 -0.254) 10.329 11.495 ( -12.341 -9.483 -4.679) 16.251 11.845 ( 7.596 -2.279 -14.579) 16.597 12.012 ( 8.745 0.147 -2.633) 9.134 12.376 ( 3.205 -4.254 -5.671) 7.780 12.594 ( 2.087 -8.784 -11.725) 14.798 13.184 ( -5.339 -6.318 -3.999) 9.188 13.278 ( -6.632 -5.371 -4.997) 9.889 13.824 ( -2.842 0.712 3.373) 4.468 13.909 ( 1.395 -5.474 -1.021) 5.741 14.772 ( 7.894 -5.728 6.469) 11.703 15.244 ( 0.417 -3.422 -4.182) 5.420 15.763 ( 0.480 -15.424 6.846) 16.882 16.290 ( 4.511 -17.115 -8.731) 19.736 17.380 ( -4.406 6.704 0.711) 8.054 17.475 ( -1.295 5.671 -4.252) 7.205 17.736 ( 8.502 11.415 -2.092) 14.386 17.825 ( -1.088 11.274 -2.093) 11.518 ======================= Grid point 266 (139/205) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -16.350 5.552 2.267) 17.415 2.700 ( -7.381 4.725 3.979) 9.625 2.978 ( 1.239 -3.108 4.106) 5.297 3.201 ( 4.200 -0.966 -5.815) 7.238 3.265 ( 4.774 -2.810 4.771) 7.311 3.581 ( -4.865 -0.027 -3.649) 6.081 3.756 ( -3.525 -3.299 -5.075) 7.005 4.074 ( 5.176 -6.923 -6.870) 11.041 4.346 ( -5.334 9.706 7.633) 13.451 4.689 ( 2.906 2.479 4.148) 5.639 4.928 ( 0.875 -0.908 -3.431) 3.655 5.004 ( -1.087 8.801 1.490) 8.993 6.042 ( 3.203 4.733 4.918) 7.539 6.406 ( -4.529 2.294 -3.750) 6.312 6.749 ( -2.218 6.194 2.469) 7.027 6.960 ( 0.254 -2.923 -9.041) 9.505 7.866 ( 5.154 -1.904 6.805) 8.746 8.212 ( -1.229 0.004 5.203) 5.346 8.297 ( 7.025 1.718 -4.015) 8.272 8.328 ( -6.783 -1.681 -3.365) 7.756 8.691 ( 6.221 5.852 6.743) 10.882 8.739 ( -8.633 11.616 -1.420) 14.542 9.219 ( 4.968 9.574 10.984) 15.395 9.449 ( -3.546 4.721 15.639) 16.717 9.607 ( -10.429 6.714 27.517) 30.183 9.649 ( -3.889 5.077 -0.128) 6.397 10.138 ( -1.353 9.959 -6.080) 11.746 10.319 ( -3.642 -2.802 15.701) 16.360 10.651 ( 7.137 6.636 3.428) 10.331 10.856 ( -8.564 -10.938 4.265) 14.531 11.135 ( -0.969 -0.349 1.538) 1.851 11.290 ( -7.647 -10.835 1.532) 13.350 11.928 ( 8.278 1.385 -14.807) 17.020 12.173 ( 6.819 -0.643 -2.485) 7.286 12.413 ( 3.743 0.361 -6.325) 7.359 12.545 ( -0.674 -6.007 -15.565) 16.697 13.099 ( -0.761 -8.812 -2.325) 9.145 13.203 ( 0.497 -10.820 -2.006) 11.015 13.803 ( -0.429 2.966 1.894) 3.546 13.971 ( 5.235 -5.761 -0.797) 7.825 14.938 ( 6.046 -6.477 5.656) 10.511 15.189 ( -3.377 -0.458 -6.103) 6.990 15.764 ( -3.714 -15.983 7.111) 17.884 16.272 ( -2.301 -16.930 -8.779) 19.209 17.287 ( -5.032 7.109 1.366) 8.817 17.426 ( -1.693 6.419 -1.682) 6.848 17.786 ( 0.364 13.187 -2.952) 13.518 17.970 ( 13.900 6.994 -5.672) 16.562 ======================= Grid point 267 (140/205) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -15.504 9.273 6.111) 19.071 2.495 ( -15.391 7.361 5.741) 18.001 2.992 ( -0.328 -4.633 -0.262) 4.652 3.241 ( -0.016 -5.180 -1.981) 5.546 3.403 ( 6.164 -1.743 6.809) 9.349 3.419 ( -7.258 3.786 -5.844) 10.058 3.693 ( -0.666 -2.010 -1.160) 2.414 4.163 ( 5.196 -6.073 -6.298) 10.176 4.215 ( -10.345 14.574 5.710) 18.763 4.718 ( -0.133 1.161 3.747) 3.925 4.929 ( 0.501 0.025 -3.642) 3.677 5.045 ( 3.100 5.444 2.428) 6.719 6.146 ( 3.739 2.755 9.001) 10.129 6.282 ( -5.501 1.430 -5.079) 7.622 6.677 ( -5.762 6.365 2.622) 8.977 6.892 ( -2.481 -2.650 -11.407) 11.971 7.919 ( -1.024 0.896 -1.168) 1.793 8.142 ( -8.004 -2.499 -2.064) 8.635 8.169 ( -6.602 4.276 7.347) 10.764 8.367 ( 1.629 0.049 -8.458) 8.614 8.609 ( -1.550 10.062 0.583) 10.198 8.950 ( 13.629 1.786 9.432) 16.670 9.342 ( -3.347 5.742 5.004) 8.320 9.453 ( -2.941 -1.284 15.996) 16.315 9.533 ( -6.665 6.942 24.774) 26.578 9.650 ( 7.220 5.434 4.672) 10.173 10.142 ( 0.833 9.189 6.448) 11.256 10.396 ( 5.422 3.951 10.097) 12.123 10.690 ( -8.227 -6.030 6.978) 12.358 10.831 ( 6.615 -1.913 -2.112) 7.203 11.094 ( -3.478 -2.717 6.267) 7.665 11.227 ( 0.130 -6.628 2.876) 7.226 12.041 ( 8.466 5.305 -10.875) 14.767 12.160 ( -4.080 -0.901 -9.762) 10.619 12.451 ( -0.558 -3.716 -16.488) 16.911 12.511 ( 7.228 2.031 -3.339) 8.217 13.159 ( 6.875 -12.048 1.450) 13.947 13.274 ( 6.934 -12.700 0.233) 14.471 13.834 ( 3.240 3.461 1.395) 4.943 14.098 ( 8.053 -5.324 -0.119) 9.654 14.990 ( -4.510 -6.837 -2.107) 8.457 15.117 ( 0.446 -1.663 -1.339) 2.182 15.672 ( -9.014 -15.710 6.192) 19.141 16.124 ( -9.237 -18.561 -8.448) 22.387 17.217 ( -3.140 7.587 3.063) 8.764 17.396 ( -1.192 6.610 0.490) 6.735 17.800 ( 3.034 15.888 -4.978) 16.924 18.205 ( 13.445 7.217 -9.816) 18.144 ======================= Grid point 268 (141/205) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -8.627 14.638 11.251) 20.378 2.203 ( -16.866 12.114 9.560) 22.861 2.969 ( -2.685 -5.190 1.827) 6.122 3.156 ( -5.833 -4.774 -2.446) 7.924 3.300 ( -3.158 5.866 -3.731) 7.635 3.537 ( 5.398 1.162 1.599) 5.748 3.746 ( 3.525 -1.304 7.663) 8.535 4.031 ( -8.554 11.115 2.392) 14.228 4.199 ( 0.703 -1.525 -6.522) 6.735 4.745 ( 0.984 -2.501 3.477) 4.395 4.908 ( -0.806 1.081 -4.847) 5.032 5.106 ( 2.289 2.293 1.093) 3.419 6.136 ( -5.260 4.151 -0.341) 6.709 6.285 ( 4.233 -2.154 4.761) 6.725 6.589 ( -3.886 4.868 4.644) 7.769 6.781 ( -2.598 -2.073 -14.497) 14.873 7.838 ( -5.623 2.953 -2.178) 6.714 7.994 ( -3.751 -2.240 -2.046) 4.824 8.136 ( -2.038 2.500 13.831) 14.202 8.304 ( -3.629 2.687 -9.864) 10.848 8.637 ( 2.161 7.023 5.139) 8.966 9.165 ( -12.226 4.414 0.566) 13.011 9.230 ( 8.511 1.849 9.746) 13.071 9.499 ( 3.198 -1.305 10.342) 10.904 9.558 ( -1.675 4.838 20.689) 21.314 9.885 ( 7.793 5.944 12.919) 16.216 10.221 ( 2.217 2.020 13.214) 13.550 10.514 ( -5.778 -5.895 -4.272) 9.295 10.583 ( 1.989 4.749 9.026) 10.391 10.855 ( 0.752 -1.048 0.355) 1.338 11.124 ( 1.090 -1.888 8.988) 9.248 11.355 ( 11.432 0.347 1.565) 11.543 11.976 ( -6.085 0.733 -6.461) 8.905 12.165 ( 5.624 -0.387 -14.000) 15.093 12.420 ( 6.045 -3.397 -14.727) 16.277 12.610 ( 3.570 4.813 -1.901) 6.287 13.336 ( 9.359 -11.346 2.003) 14.844 13.456 ( 11.041 -13.934 3.524) 18.124 13.955 ( 8.945 2.688 1.333) 9.435 14.269 ( 8.817 -5.436 1.040) 10.410 14.820 ( -8.767 -3.845 -6.003) 11.299 15.121 ( -2.031 -8.550 0.316) 8.793 15.478 ( -12.871 -14.193 4.047) 19.583 15.846 ( -16.008 -20.491 -6.589) 26.824 17.190 ( -1.544 8.178 4.446) 9.436 17.385 ( -0.454 7.236 1.654) 7.437 17.854 ( 4.743 18.522 -6.027) 20.047 18.377 ( 9.393 9.546 -14.502) 19.740 ======================= Grid point 269 (142/205) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -8.157 15.662 13.723) 22.364 2.052 ( -0.317 17.306 17.224) 24.419 2.903 ( -4.851 -4.088 4.203) 7.609 3.058 ( -2.495 -4.872 -4.626) 7.167 3.271 ( 1.329 9.480 -0.262) 9.577 3.611 ( 2.336 5.242 -2.179) 6.139 3.815 ( -2.226 5.284 12.468) 13.723 3.946 ( -0.807 0.347 -1.250) 1.528 4.161 ( -0.603 -0.533 -6.952) 6.999 4.751 ( -1.337 -2.931 -2.661) 4.178 4.884 ( 0.790 -0.390 -1.001) 1.333 5.140 ( 0.928 -0.245 -0.187) 0.978 6.062 ( -2.306 3.618 0.641) 4.338 6.349 ( 1.335 0.761 0.409) 1.591 6.586 ( 0.204 -1.865 4.972) 5.315 6.686 ( -0.016 -1.250 -15.578) 15.628 7.761 ( -0.061 3.372 0.641) 3.433 8.004 ( 3.893 -3.858 1.928) 5.810 8.147 ( -7.714 1.568 -7.685) 11.001 8.203 ( 0.383 3.449 21.318) 21.598 8.731 ( 5.543 6.809 5.958) 10.611 8.927 ( -11.800 4.360 -0.508) 12.590 9.324 ( -2.360 -2.091 7.402) 8.046 9.630 ( 3.310 0.240 16.289) 16.624 9.654 ( 1.898 2.233 9.801) 10.229 9.980 ( -5.518 8.094 13.930) 17.030 10.161 ( -11.724 -1.976 2.630) 12.177 10.420 ( 3.982 -3.353 3.065) 6.041 10.709 ( 3.658 10.529 8.435) 13.979 10.965 ( 8.949 3.214 0.055) 9.509 11.199 ( 5.022 -2.740 0.866) 5.787 11.509 ( -0.935 2.152 7.222) 7.594 11.950 ( 9.027 -2.735 -13.916) 16.811 12.186 ( 3.816 -10.721 -7.401) 13.575 12.470 ( 0.182 3.515 -12.614) 13.096 12.679 ( 7.362 3.795 -4.041) 9.215 13.501 ( 7.047 -9.336 2.117) 11.887 13.730 ( 14.047 -13.733 8.825) 21.537 14.155 ( 8.340 -0.590 -1.258) 8.455 14.374 ( -0.993 -5.942 2.519) 6.530 14.695 ( 1.661 -4.329 -4.195) 6.253 14.992 ( -11.889 -12.448 -0.614) 17.224 15.279 ( -6.454 -12.297 0.224) 13.890 15.479 ( -18.586 -20.209 -3.060) 27.626 17.189 ( -0.810 8.746 5.054) 10.134 17.393 ( 0.359 7.808 2.255) 8.135 17.918 ( 4.300 19.914 -6.037) 21.249 18.425 ( 2.661 13.046 -17.605) 22.073 ======================= Grid point 270 (143/205) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 1.428 13.297 13.869) 19.267 2.457 ( 1.868 11.267 13.360) 17.576 2.772 ( 1.835 -5.458 2.327) 6.211 2.901 ( 0.387 -5.788 -1.869) 6.094 3.534 ( 3.173 6.252 -2.135) 7.328 3.651 ( -1.141 -1.466 -5.575) 5.876 3.890 ( -0.653 1.041 0.709) 1.419 3.956 ( 2.459 1.284 -0.462) 2.812 4.201 ( -2.983 9.965 0.871) 10.438 4.603 ( -1.310 -7.082 -3.637) 8.069 4.936 ( 2.347 3.568 -3.047) 5.246 5.115 ( 0.093 -1.905 -4.588) 4.969 6.129 ( 0.692 4.566 -0.082) 4.619 6.327 ( 0.963 -4.013 0.556) 4.165 6.585 ( 0.877 1.078 -3.754) 4.003 6.624 ( 1.611 -0.980 -11.442) 11.597 7.889 ( 4.719 1.337 6.091) 7.820 7.958 ( -3.982 1.681 6.505) 7.810 8.090 ( 0.979 -1.143 2.463) 2.886 8.291 ( -1.218 -4.717 21.283) 21.833 8.798 ( -2.734 2.634 9.007) 9.775 8.954 ( -10.752 -3.747 4.781) 12.349 9.227 ( 1.152 12.676 1.378) 12.803 9.604 ( -4.949 -1.059 6.383) 8.146 9.818 ( -2.926 4.474 21.754) 22.401 9.982 ( -9.966 -1.139 6.954) 12.206 10.278 ( 7.117 11.815 12.558) 18.653 10.543 ( -0.383 4.651 1.033) 4.779 10.944 ( 4.686 -1.096 0.677) 4.860 11.066 ( 8.356 1.482 9.792) 12.958 11.308 ( -4.971 -5.332 -4.068) 8.349 11.414 ( 3.080 -5.728 10.351) 12.225 11.956 ( 4.582 -6.930 -10.147) 13.114 12.000 ( 5.811 -4.372 -8.548) 11.223 12.529 ( -5.412 9.011 -15.587) 18.801 12.768 ( 1.559 -2.398 -13.864) 14.156 13.548 ( 9.050 -2.130 10.072) 13.707 13.778 ( 11.060 -11.461 11.233) 19.490 14.066 ( -10.440 1.130 -5.784) 11.989 14.191 ( -8.403 -4.569 -2.513) 9.889 14.573 ( -12.264 -1.700 -0.171) 12.382 14.664 ( -2.053 -7.502 -0.161) 7.779 14.954 ( 5.448 -8.522 -7.010) 12.307 15.024 ( 7.432 -10.760 -3.980) 13.670 17.394 ( -0.336 8.447 7.059) 11.013 17.528 ( 0.081 2.660 5.729) 6.317 18.304 ( 1.355 13.924 -8.767) 16.510 18.537 ( -1.327 3.915 -16.037) 16.561 ======================= Grid point 271 (144/205) ======================= q-point: ( 0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 4.204 10.160 14.261) 18.008 2.593 ( 6.473 7.992 14.875) 18.084 2.858 ( 5.178 -4.301 -0.322) 6.739 2.937 ( 5.006 -2.367 -1.600) 5.764 3.531 ( -3.295 0.531 -4.064) 5.259 3.550 ( -4.120 1.658 -10.317) 11.232 3.871 ( -0.107 2.982 -1.457) 3.321 4.026 ( 2.563 -4.991 0.682) 5.652 4.158 ( -1.047 13.722 1.258) 13.820 4.555 ( -1.787 -6.065 -4.664) 7.857 5.000 ( 4.438 1.198 -1.929) 4.985 5.105 ( 1.067 -0.591 -4.813) 4.966 6.147 ( 0.986 5.681 0.550) 5.792 6.346 ( 1.053 -3.279 0.245) 3.453 6.609 ( 3.698 0.600 -8.248) 9.059 6.626 ( 3.874 -0.294 -7.707) 8.631 7.860 ( -5.901 7.745 5.309) 11.090 8.028 ( 2.311 -3.057 8.750) 9.552 8.109 ( -1.554 -1.164 1.730) 2.600 8.344 ( -0.755 -7.508 10.277) 12.750 8.819 ( -3.438 4.544 12.135) 13.406 8.855 ( 2.688 7.772 10.170) 13.079 9.303 ( 4.483 4.232 8.195) 10.255 9.534 ( -5.269 -1.141 11.744) 12.922 9.811 ( -9.999 1.344 11.435) 15.249 9.872 ( -1.143 -1.224 11.020) 11.146 10.346 ( -6.776 13.690 7.960) 17.225 10.598 ( 5.384 0.201 7.010) 8.841 10.967 ( -0.413 8.199 -4.683) 9.451 11.175 ( -3.988 2.087 8.186) 9.342 11.284 ( 6.333 -10.612 -3.601) 12.872 11.509 ( 1.830 -7.106 9.665) 12.135 12.007 ( -2.167 0.116 -10.619) 10.838 12.040 ( 8.582 -6.250 -11.013) 15.297 12.320 ( -7.680 3.010 -10.814) 13.601 12.628 ( -9.080 -5.451 -18.843) 21.615 13.704 ( -2.445 -1.490 5.285) 6.011 13.834 ( -9.001 -4.393 3.165) 10.504 13.858 ( -4.736 0.401 4.872) 6.807 14.047 ( -6.275 -6.747 2.025) 9.434 14.425 ( -2.620 0.398 -3.775) 4.613 14.621 ( 4.671 -11.853 -0.610) 12.755 15.159 ( 11.867 -8.447 -3.789) 15.051 15.239 ( 17.049 -9.951 -5.717) 20.552 17.423 ( 0.380 8.293 6.537) 10.567 17.553 ( -0.138 2.699 5.314) 5.962 18.255 ( -2.538 11.805 -7.552) 14.242 18.396 ( -5.992 6.168 -14.017) 16.445 ======================= Grid point 272 (145/205) ======================= q-point: ( 0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 3.868 7.038 12.894) 15.190 2.824 ( 9.363 3.997 15.362) 18.430 2.919 ( 2.580 -0.336 -3.103) 4.049 3.080 ( 8.845 0.373 -3.796) 9.632 3.375 ( -7.894 1.494 -7.377) 10.907 3.447 ( -3.729 -1.911 -3.999) 5.792 3.881 ( 2.055 2.971 -5.829) 6.858 4.025 ( -0.676 -5.475 -5.243) 7.611 4.201 ( 3.490 8.485 6.018) 10.972 4.495 ( -2.465 -5.175 -3.142) 6.536 5.048 ( 1.993 0.968 -6.334) 6.710 5.122 ( 2.120 0.911 -1.978) 3.039 6.168 ( 1.338 6.741 -1.886) 7.127 6.378 ( 2.528 -2.577 -0.369) 3.628 6.659 ( 5.203 1.503 -6.360) 8.353 6.702 ( 5.645 -0.855 -2.750) 6.338 7.781 ( -5.067 6.240 3.336) 8.703 7.939 ( -5.353 -1.710 -1.578) 5.837 8.204 ( 3.628 -0.247 14.489) 14.938 8.341 ( -3.007 -2.716 8.273) 9.212 8.896 ( 1.772 14.181 4.795) 15.074 8.956 ( 4.193 12.292 16.098) 20.684 9.453 ( 3.368 -7.298 16.812) 18.635 9.528 ( 0.451 -8.198 9.160) 12.302 9.671 ( -7.682 3.837 5.956) 10.450 9.908 ( -0.767 -3.602 14.066) 14.540 10.204 ( -10.263 14.111 9.222) 19.736 10.662 ( -3.385 -1.284 6.972) 7.856 10.924 ( -0.578 7.061 -6.364) 9.523 11.097 ( -9.003 10.188 4.495) 14.320 11.379 ( 6.750 -9.266 -5.454) 12.695 11.554 ( -2.380 -7.771 7.038) 10.751 11.844 ( -4.639 7.305 -15.592) 17.833 12.159 ( 2.950 -6.587 -1.243) 7.323 12.212 ( 0.628 -8.153 -17.835) 19.620 12.296 ( -12.702 -7.359 -10.954) 18.316 13.501 ( -11.237 0.905 -7.965) 13.803 13.641 ( -10.254 -3.680 -4.858) 11.929 13.865 ( -5.071 -3.018 10.469) 12.018 13.932 ( -4.970 -5.536 6.502) 9.880 14.436 ( 5.247 5.210 0.190) 7.397 14.829 ( 13.421 -10.389 -0.155) 16.973 15.333 ( 7.537 -7.690 -1.290) 10.845 15.553 ( 17.087 -14.155 -7.730) 23.496 17.468 ( 1.627 7.075 5.210) 8.936 17.565 ( -0.857 2.985 4.229) 5.247 18.148 ( -5.353 9.676 -6.935) 13.053 18.209 ( -7.029 7.297 -10.007) 14.240 ======================= Grid point 273 (146/205) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 4.169 5.286 11.076) 12.962 2.933 ( 0.405 0.692 -1.370) 1.587 3.019 ( 2.206 0.658 8.315) 8.628 3.166 ( -6.317 4.489 -7.177) 10.563 3.210 ( 3.898 1.312 -1.686) 4.445 3.432 ( 3.208 -5.160 -1.179) 6.190 3.865 ( 0.021 1.750 -13.074) 13.190 3.979 ( -1.672 -5.098 -4.478) 6.989 4.336 ( 6.074 3.232 10.097) 12.219 4.458 ( 0.843 -2.592 -0.564) 2.783 5.035 ( 0.145 2.837 -7.345) 7.876 5.147 ( 1.024 0.668 -1.908) 2.266 6.174 ( 0.711 8.358 -4.319) 9.435 6.439 ( 3.709 -2.878 -1.524) 4.936 6.739 ( 4.084 2.624 0.128) 4.856 6.804 ( 5.501 -2.092 -1.696) 6.125 7.702 ( -2.961 4.979 3.826) 6.942 7.915 ( 1.992 -3.090 1.227) 3.876 8.317 ( 0.302 1.161 11.254) 11.318 8.332 ( -0.223 1.328 10.326) 10.414 8.905 ( -1.671 15.854 3.921) 16.417 9.102 ( 3.073 13.441 10.927) 17.592 9.475 ( -6.486 -9.567 2.157) 11.757 9.607 ( -2.072 3.537 28.031) 28.329 9.618 ( 1.419 -2.670 0.519) 3.067 9.981 ( -1.134 -3.239 20.234) 20.523 10.062 ( -5.899 9.752 5.591) 12.695 10.571 ( -6.977 -2.862 6.166) 9.741 10.864 ( -12.856 14.223 0.096) 19.172 10.900 ( -1.026 6.007 -5.623) 8.292 11.406 ( -9.621 -2.560 -2.110) 10.177 11.494 ( 0.769 -8.578 -1.593) 8.758 11.811 ( 3.127 -5.149 -7.313) 9.475 11.863 ( -9.595 -3.168 -18.313) 20.916 12.197 ( 1.231 -5.845 1.880) 6.263 12.344 ( 8.176 -9.366 -9.967) 15.935 13.267 ( -8.955 -0.565 -9.063) 12.754 13.399 ( -10.978 -5.328 -10.020) 15.789 13.804 ( -3.114 -0.916 6.330) 7.113 13.897 ( -2.188 -3.320 4.247) 5.818 14.588 ( 8.053 6.988 5.043) 11.795 15.065 ( 10.503 -7.686 -0.275) 13.018 15.436 ( 3.473 -7.111 -0.103) 7.915 15.798 ( 11.665 -17.232 -8.588) 22.512 17.525 ( 1.807 4.372 2.829) 5.512 17.553 ( -1.850 3.616 3.103) 5.111 18.001 ( -5.064 9.744 -7.457) 13.274 18.071 ( -4.148 6.128 -4.856) 8.851 ======================= Grid point 274 (147/205) ======================= q-point: (-0.56 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 1.686 4.324 9.352) 10.441 2.906 ( -6.018 3.991 -3.705) 8.116 2.949 ( -6.650 -0.062 3.987) 7.754 3.047 ( -0.763 -4.933 0.861) 5.065 3.320 ( 3.752 6.243 -2.786) 7.798 3.526 ( 6.769 -3.401 0.667) 7.605 3.765 ( -3.438 -2.849 -16.352) 16.951 3.921 ( -2.032 -6.242 -4.577) 8.002 4.457 ( 2.797 3.986 9.460) 10.640 4.577 ( 8.195 -0.423 5.191) 9.710 5.001 ( -0.440 4.678 -5.895) 7.538 5.143 ( -0.326 1.117 -2.295) 2.574 6.168 ( 0.545 9.720 -2.836) 10.140 6.477 ( 0.795 -2.360 -3.455) 4.259 6.808 ( 2.122 1.837 2.525) 3.776 6.878 ( 2.460 -3.187 -1.395) 4.261 7.730 ( 3.286 3.704 6.219) 7.950 7.993 ( 4.368 -6.896 3.259) 8.789 8.335 ( 0.440 3.403 3.161) 4.665 8.389 ( -0.200 0.519 7.134) 7.156 8.874 ( -3.485 13.791 4.797) 15.012 9.151 ( -3.197 13.703 4.646) 14.818 9.312 ( -7.785 -4.144 1.860) 9.013 9.604 ( -3.085 4.921 5.026) 7.681 9.706 ( -4.218 1.599 33.245) 33.549 9.938 ( -5.083 13.263 11.725) 18.418 10.123 ( 3.132 -5.467 11.482) 13.097 10.478 ( -7.227 -1.636 5.082) 8.985 10.651 ( -5.448 10.681 -0.151) 11.991 10.857 ( -3.208 1.950 -0.756) 3.829 11.177 ( -11.648 -5.873 -1.358) 13.115 11.334 ( -10.275 -6.647 -9.175) 15.296 11.789 ( 8.131 -2.491 -10.131) 13.227 11.943 ( 8.614 -7.516 -2.525) 11.707 12.252 ( 3.902 -3.551 -0.262) 5.282 12.433 ( 6.032 -7.385 -12.769) 15.937 13.083 ( -6.080 -3.411 -8.348) 10.876 13.159 ( -8.764 -4.444 -10.465) 14.356 13.807 ( 0.749 0.256 3.884) 3.963 13.886 ( -0.116 -1.288 1.666) 2.109 14.758 ( 6.561 5.577 6.398) 10.728 15.215 ( 5.491 -2.937 -2.721) 6.796 15.467 ( -0.565 -8.705 1.935) 8.935 15.918 ( 4.775 -18.480 -9.206) 21.192 17.500 ( -3.901 4.690 2.073) 6.443 17.553 ( -1.029 2.232 0.575) 2.524 17.952 ( 3.609 8.317 -4.840) 10.278 18.004 ( -0.488 5.819 -4.109) 7.140 ======================= Grid point 275 (148/205) ======================= q-point: (-0.44 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -12.455 6.316 0.980) 13.999 2.794 ( -6.234 3.657 6.285) 9.578 2.923 ( -1.331 -1.649 3.446) 4.045 3.077 ( 1.769 -6.600 4.402) 8.128 3.343 ( 2.270 5.896 -5.973) 8.694 3.602 ( -5.347 0.340 -10.497) 11.785 3.651 ( 2.933 -4.190 -0.373) 5.128 3.903 ( 3.960 -8.944 -6.401) 11.690 4.528 ( -0.430 7.527 7.179) 10.410 4.717 ( 2.710 -1.288 5.238) 6.036 4.976 ( 0.187 6.016 -3.515) 6.970 5.130 ( 0.595 2.535 -1.810) 3.171 6.176 ( 0.857 8.286 0.554) 8.348 6.430 ( -3.474 -0.749 -5.382) 6.449 6.821 ( -2.187 1.148 2.475) 3.496 6.883 ( -0.991 -3.854 -2.345) 4.619 7.850 ( 5.014 0.976 5.627) 7.600 8.070 ( 0.829 -8.692 2.605) 9.112 8.370 ( 1.811 3.965 -0.434) 4.381 8.388 ( -0.075 2.803 -0.997) 2.976 8.833 ( -2.010 7.818 7.181) 10.804 8.971 ( -11.357 7.918 -2.262) 14.028 9.321 ( 2.023 3.174 15.179) 15.638 9.549 ( -4.642 3.352 5.382) 7.859 9.725 ( -8.399 6.513 32.971) 34.642 9.894 ( -7.062 13.558 17.537) 23.265 10.245 ( 1.501 -2.924 9.916) 10.446 10.349 ( -0.932 8.251 -1.038) 8.368 10.636 ( -1.187 -3.615 -1.239) 4.002 10.787 ( -2.686 0.475 4.974) 5.673 10.999 ( -5.792 -8.349 3.203) 10.654 11.166 ( -3.462 -5.159 -7.474) 9.719 11.944 ( 11.677 0.497 -10.091) 15.441 12.105 ( 8.007 -6.260 -2.312) 10.423 12.331 ( 4.909 -3.528 -5.661) 8.282 12.463 ( 3.743 -3.297 -13.508) 14.400 12.983 ( -1.896 -7.888 -4.568) 9.310 12.986 ( -3.164 -3.479 -8.116) 9.380 13.850 ( 2.094 1.717 2.113) 3.435 13.921 ( 3.542 -0.937 1.015) 3.802 14.882 ( 3.195 2.834 5.641) 7.076 15.244 ( -0.267 3.779 -7.237) 8.169 15.437 ( -4.091 -13.164 5.075) 14.690 15.898 ( -2.666 -18.857 -9.531) 21.297 17.427 ( -4.169 6.068 2.615) 7.813 17.519 ( -2.149 2.322 0.912) 3.293 18.007 ( 3.472 8.087 -4.722) 9.988 18.088 ( 10.991 3.861 -5.882) 13.051 ======================= Grid point 276 (149/205) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -9.852 11.004 4.434) 15.421 2.646 ( -10.782 6.446 4.709) 13.415 2.898 ( -3.349 -3.733 4.944) 7.043 3.096 ( -1.871 -8.379 0.722) 8.615 3.397 ( 4.463 0.908 1.838) 4.911 3.461 ( -3.435 0.063 -8.050) 8.752 3.690 ( 2.630 2.435 -2.564) 4.407 3.991 ( 5.725 -9.568 -4.549) 12.042 4.479 ( -6.473 10.169 3.267) 12.489 4.724 ( -2.794 -2.272 2.771) 4.544 4.976 ( 0.776 6.566 -1.929) 6.887 5.155 ( 1.998 2.729 -1.663) 3.769 6.202 ( 1.078 3.665 2.451) 4.539 6.316 ( -5.215 0.866 -5.696) 7.771 6.755 ( -5.242 1.461 2.459) 5.971 6.822 ( -3.678 -3.623 -4.098) 6.592 7.916 ( -0.029 -0.206 0.424) 0.472 8.032 ( -3.826 -5.954 -0.896) 7.134 8.296 ( -7.879 7.441 3.139) 11.283 8.437 ( 1.822 3.060 -3.552) 5.030 8.792 ( -6.136 6.584 6.539) 11.125 8.940 ( 8.470 -2.051 10.287) 13.482 9.430 ( -0.732 0.499 16.409) 16.433 9.479 ( -5.638 4.183 7.394) 10.196 9.701 ( -5.830 10.635 26.024) 28.711 9.878 ( 1.310 14.950 12.868) 19.769 10.208 ( -4.808 -1.624 13.033) 13.986 10.467 ( 3.020 0.108 -0.416) 3.051 10.579 ( 0.324 0.452 -0.057) 0.559 10.762 ( -2.722 -9.366 4.603) 10.785 11.013 ( 1.804 -1.284 8.545) 8.827 11.146 ( 6.056 -4.667 -5.254) 9.277 12.108 ( 7.900 1.389 -10.883) 13.520 12.146 ( -2.746 -0.683 -7.101) 7.644 12.358 ( 4.230 -1.022 -13.779) 14.450 12.540 ( 9.141 -1.199 -7.695) 12.008 12.951 ( 4.343 -8.026 -2.896) 9.574 13.032 ( 6.080 -9.209 0.260) 11.038 13.912 ( 3.947 3.678 1.412) 5.576 14.028 ( 6.845 -2.215 1.042) 7.269 14.912 ( -2.387 0.958 2.212) 3.392 15.156 ( -4.556 5.575 -7.979) 10.747 15.349 ( -7.713 -15.041 5.304) 17.716 15.735 ( -9.891 -18.738 -9.123) 23.069 17.377 ( -2.542 7.153 4.235) 8.693 17.492 ( -1.408 2.319 2.668) 3.805 18.082 ( 6.656 11.236 -6.608) 14.636 18.294 ( 12.996 1.206 -9.147) 15.938 ======================= Grid point 277 (150/205) ======================= q-point: (-0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -5.833 13.340 7.743) 16.491 2.460 ( -9.927 12.378 7.395) 17.505 2.839 ( -4.465 -6.491 3.525) 8.631 3.022 ( -4.915 -8.168 -0.635) 9.554 3.404 ( 0.858 3.822 -2.363) 4.575 3.528 ( 5.818 -2.294 4.701) 7.824 3.751 ( 4.745 3.377 -1.978) 6.151 4.034 ( 0.657 -7.190 -6.076) 9.437 4.354 ( -6.623 11.398 2.148) 13.356 4.674 ( -2.653 -5.003 1.227) 5.794 4.973 ( -0.064 6.527 -3.665) 7.486 5.165 ( 0.022 1.410 -3.087) 3.394 6.192 ( -3.158 1.460 -5.900) 6.850 6.252 ( 0.986 -0.593 4.594) 4.736 6.665 ( -4.710 2.067 2.505) 5.721 6.727 ( -3.091 -2.770 -7.002) 8.140 7.877 ( -2.748 1.131 -1.510) 3.334 7.952 ( -3.430 -2.377 -1.735) 4.519 8.169 ( -6.875 4.133 11.911) 14.361 8.370 ( -6.814 -0.220 1.092) 6.905 8.803 ( 1.218 8.712 10.818) 13.943 9.133 ( 3.036 -6.055 8.867) 11.158 9.336 ( -8.560 6.641 5.726) 12.254 9.492 ( 1.116 0.256 12.414) 12.467 9.743 ( -0.680 12.148 18.946) 22.516 10.062 ( 5.263 8.168 19.183) 21.504 10.218 ( 2.139 0.976 11.214) 11.458 10.372 ( -8.016 -1.518 -6.325) 10.323 10.643 ( 4.535 -4.739 4.284) 7.834 10.810 ( 3.492 -7.571 6.894) 10.818 11.097 ( 5.176 3.541 5.588) 8.400 11.321 ( 9.996 -5.448 0.683) 11.405 11.998 ( -6.582 1.747 -8.668) 11.023 12.086 ( -2.302 -3.526 -15.236) 15.807 12.463 ( 11.222 5.650 -12.616) 17.805 12.675 ( 7.146 0.807 -7.137) 10.132 13.108 ( 11.010 -9.538 0.276) 14.569 13.204 ( 10.397 -10.314 4.899) 15.443 14.025 ( 7.209 3.980 1.260) 8.330 14.180 ( 7.872 -3.478 1.255) 8.697 14.799 ( -8.119 2.448 -4.554) 9.625 15.025 ( -6.855 0.367 -2.771) 7.403 15.185 ( -10.424 -13.952 1.635) 17.493 15.452 ( -15.250 -17.536 -7.384) 24.384 17.364 ( -1.254 7.755 5.849) 9.794 17.488 ( -0.605 2.468 4.262) 4.962 18.190 ( 7.457 13.827 -8.281) 17.759 18.480 ( 10.687 0.546 -13.055) 16.880 ======================= Grid point 278 (151/205) ======================= q-point: (-0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -5.138 13.317 10.853) 17.931 2.395 ( -1.418 15.046 11.421) 18.943 2.776 ( -2.919 -7.226 2.660) 8.235 2.934 ( -3.206 -7.105 -1.106) 7.872 3.456 ( 4.217 7.299 0.802) 8.468 3.633 ( 3.525 -1.580 0.331) 3.877 3.846 ( 4.299 0.852 2.032) 4.831 3.981 ( -2.095 -2.125 -6.829) 7.452 4.261 ( -4.128 10.151 1.812) 11.107 4.638 ( -1.434 -7.351 -0.833) 7.535 4.943 ( -0.584 5.841 -5.264) 7.884 5.140 ( -0.681 -0.772 -3.806) 3.943 6.132 ( -0.788 3.363 -2.690) 4.378 6.297 ( 1.535 -3.945 2.528) 4.930 6.606 ( -2.033 1.554 -0.028) 2.559 6.656 ( -0.386 -1.432 -9.496) 9.612 7.828 ( -0.716 3.054 0.904) 3.264 7.933 ( 1.235 -2.671 3.217) 4.360 8.130 ( -3.908 0.421 8.290) 9.175 8.259 ( -6.380 -1.315 16.213) 17.473 8.842 ( -3.327 5.153 9.848) 11.602 9.088 ( -6.044 2.608 3.215) 7.326 9.255 ( -3.861 3.475 3.275) 6.141 9.594 ( 2.863 -3.095 8.476) 9.467 9.806 ( -2.673 9.319 17.023) 19.590 10.096 ( -7.448 -2.486 27.522) 28.620 10.191 ( -4.246 7.765 -8.219) 12.078 10.441 ( 10.414 10.091 6.731) 15.987 10.791 ( 8.302 -13.953 1.024) 16.268 10.911 ( 3.732 3.666 10.774) 11.977 11.250 ( 7.740 3.950 2.830) 9.139 11.429 ( -1.875 -10.241 4.058) 11.174 11.910 ( 2.532 -1.519 -6.203) 6.870 11.982 ( 0.265 -4.208 -16.881) 17.400 12.594 ( 6.196 6.516 -13.825) 16.492 12.744 ( 4.246 1.594 -8.453) 9.593 13.329 ( 10.732 -6.103 3.127) 12.736 13.471 ( 13.991 -11.132 8.711) 19.888 14.164 ( 4.311 1.706 -0.493) 4.662 14.283 ( -0.020 -3.338 0.698) 3.410 14.647 ( -1.699 1.029 -6.044) 6.362 14.834 ( -13.128 -2.920 1.466) 13.529 15.012 ( -4.744 -12.862 -5.539) 14.786 15.122 ( -14.788 -14.402 -4.165) 21.058 17.373 ( -0.707 8.163 6.829) 10.666 17.503 ( -0.078 2.622 5.351) 5.959 18.278 ( 5.295 14.778 -9.102) 18.146 18.572 ( 5.101 1.661 -15.780) 16.667 ======================= Grid point 279 (152/205) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.025 -7.213 12.111) 14.097 2.519 ( 0.025 7.213 12.111) 14.097 2.766 ( 2.383 -6.599 1.259) 7.129 2.766 ( 2.383 6.599 1.259) 7.129 3.612 ( 0.041 -2.414 -3.248) 4.047 3.612 ( 0.041 2.414 -3.248) 4.047 3.928 ( 1.823 -2.223 -2.991) 4.149 3.928 ( 1.823 2.223 -2.991) 4.149 4.423 ( -1.533 -10.175 0.265) 10.293 4.423 ( -1.533 10.175 0.265) 10.293 5.041 ( 0.827 -5.254 -6.078) 8.076 5.041 ( 0.827 5.254 -6.078) 8.076 6.230 ( 1.379 -5.156 0.203) 5.341 6.230 ( 1.379 5.156 0.203) 5.341 6.605 ( 1.118 -0.933 -6.916) 7.068 6.605 ( 1.118 0.933 -6.916) 7.068 7.932 ( 2.307 -2.628 7.686) 8.445 7.932 ( 2.307 2.628 7.686) 8.445 8.164 ( -2.691 -6.494 10.846) 12.925 8.164 ( -2.691 6.494 10.846) 12.925 8.864 ( -6.285 -3.973 10.528) 12.889 8.864 ( -6.285 3.973 10.528) 12.889 9.488 ( -0.616 -10.053 1.551) 10.191 9.488 ( -0.616 10.053 1.551) 10.191 9.918 ( -8.309 -4.519 18.713) 20.968 9.918 ( -8.309 4.519 18.713) 20.968 10.518 ( 5.117 -10.710 -0.374) 11.875 10.518 ( 5.117 10.710 -0.374) 11.875 10.990 ( 3.566 -13.922 12.817) 19.256 10.990 ( 3.566 13.922 12.817) 19.256 11.282 ( -0.172 -8.555 3.203) 9.136 11.282 ( -0.172 8.555 3.203) 9.136 11.933 ( 4.557 -2.643 -10.693) 11.921 11.933 ( 4.557 2.643 -10.693) 11.921 12.683 ( -2.294 -5.892 -16.638) 17.799 12.683 ( -2.294 5.892 -16.638) 17.799 13.589 ( 10.911 -6.064 11.255) 16.807 13.589 ( 10.911 6.064 11.255) 16.807 14.112 ( -9.769 -3.106 -4.393) 11.152 14.112 ( -9.769 3.106 -4.393) 11.152 14.583 ( -9.673 -1.807 -1.028) 9.894 14.583 ( -9.673 1.807 -1.028) 9.894 14.877 ( 9.687 -2.177 -6.314) 11.766 14.877 ( 9.687 2.177 -6.314) 11.766 17.520 ( -0.283 -3.459 7.235) 8.024 17.520 ( -0.283 3.459 7.235) 8.024 18.511 ( 0.263 -6.010 -12.475) 13.850 18.511 ( 0.263 6.010 -12.475) 13.850 ======================= Grid point 281 (153/205) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 2.556 -6.619 13.436) 15.195 2.605 ( 2.556 6.619 13.436) 15.195 2.864 ( 7.416 -4.481 0.263) 8.668 2.864 ( 7.416 4.481 0.263) 8.668 3.550 ( -4.028 -1.197 -6.799) 7.992 3.550 ( -4.028 1.197 -6.799) 7.992 3.934 ( 0.283 -3.407 -2.594) 4.291 3.934 ( 0.283 3.407 -2.594) 4.291 4.399 ( -1.116 -9.450 -1.254) 9.598 4.399 ( -1.116 9.450 -1.254) 9.598 5.058 ( 3.128 -3.523 -5.247) 7.052 5.058 ( 3.128 3.523 -5.247) 7.052 6.260 ( 1.516 -5.124 0.490) 5.366 6.260 ( 1.516 5.124 0.490) 5.366 6.620 ( 3.833 -0.409 -7.407) 8.350 6.620 ( 3.833 0.409 -7.407) 8.350 7.977 ( -3.645 -2.814 8.386) 9.567 7.977 ( -3.645 2.814 8.386) 9.567 8.170 ( 1.119 -7.610 5.663) 9.552 8.170 ( 1.119 7.610 5.663) 9.552 8.899 ( 4.232 -2.117 15.648) 16.348 8.899 ( 4.232 2.117 15.648) 16.348 9.444 ( -5.282 -7.052 5.847) 10.574 9.444 ( -5.282 7.052 5.847) 10.574 9.842 ( -6.280 -1.893 12.065) 13.733 9.842 ( -6.280 1.893 12.065) 13.733 10.571 ( -1.744 -5.964 5.147) 8.069 10.571 ( -1.744 5.965 5.147) 8.069 11.070 ( 3.237 -5.422 3.195) 7.077 11.070 ( 3.237 5.422 3.195) 7.077 11.319 ( -0.106 -10.166 8.580) 13.304 11.319 ( -0.106 10.166 8.580) 13.304 11.986 ( 5.561 -1.276 -10.033) 11.542 11.986 ( 5.561 1.276 -10.033) 11.542 12.471 ( -11.325 -9.069 -18.862) 23.796 12.471 ( -11.325 9.069 -18.862) 23.796 13.734 ( -3.337 -3.916 6.660) 8.416 13.734 ( -3.337 3.916 6.660) 8.416 13.920 ( -6.947 -4.757 1.743) 8.598 13.920 ( -6.947 4.757 1.743) 8.598 14.477 ( 2.087 -4.024 -4.002) 6.047 14.477 ( 2.087 4.024 -4.002) 6.047 15.096 ( 13.839 -2.697 -5.165) 15.016 15.096 ( 13.839 2.697 -5.165) 15.016 17.546 ( -0.205 -3.326 6.798) 7.571 17.546 ( -0.205 3.326 6.798) 7.571 18.418 ( -4.302 -3.727 -11.132) 12.503 18.418 ( -4.302 3.727 -11.132) 12.503 ======================= Grid point 283 (154/205) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 3.179 -7.903 11.329) 14.174 2.717 ( 3.179 7.903 11.329) 14.174 3.037 ( 9.401 -5.149 0.818) 10.750 3.037 ( 9.401 5.149 0.818) 10.750 3.407 ( -7.161 -1.788 -6.833) 10.059 3.407 ( -7.161 1.788 -6.833) 10.059 3.933 ( 1.337 -3.102 -5.070) 6.092 3.933 ( 1.337 3.102 -5.070) 6.092 4.369 ( -0.889 -7.309 -0.762) 7.402 4.369 ( -0.889 7.309 -0.762) 7.402 5.095 ( 2.696 -2.786 -5.090) 6.398 5.095 ( 2.696 2.786 -5.090) 6.398 6.294 ( 2.372 -5.358 -1.641) 6.085 6.294 ( 2.372 5.358 -1.641) 6.085 6.687 ( 5.391 -1.027 -3.657) 6.595 6.687 ( 5.391 1.027 -3.657) 6.595 7.885 ( -5.823 -3.854 1.636) 7.172 7.885 ( -5.823 3.854 1.636) 7.172 8.257 ( 2.230 -4.643 13.116) 14.091 8.257 ( 2.230 4.643 13.116) 14.091 9.109 ( 9.093 -2.350 11.880) 15.144 9.109 ( 9.093 2.350 11.880) 15.144 9.362 ( -6.009 -2.740 10.121) 12.085 9.362 ( -6.009 2.740 10.121) 12.085 9.793 ( -3.589 -6.818 10.419) 12.958 9.793 ( -3.589 6.818 10.419) 12.958 10.501 ( -7.714 -13.285 7.939) 17.293 10.501 ( -7.714 13.285 7.939) 17.293 11.128 ( 0.628 -11.522 -2.359) 11.778 11.128 ( 0.628 11.522 -2.359) 11.778 11.341 ( -0.526 -11.131 7.968) 13.699 11.341 ( -0.526 11.131 7.968) 13.699 12.035 ( -0.012 -8.711 -18.407) 20.365 12.035 ( -0.012 8.711 -18.407) 20.365 12.148 ( -8.750 -4.198 -8.031) 12.597 12.148 ( -8.750 4.198 -8.031) 12.597 13.553 ( -11.152 -3.960 -8.044) 14.309 13.553 ( -11.152 3.960 -8.044) 14.309 13.852 ( -4.641 -1.736 10.394) 11.514 13.852 ( -4.641 1.736 10.394) 11.514 14.615 ( 10.868 -10.653 -0.503) 15.227 14.615 ( 10.868 10.653 -0.503) 15.227 15.326 ( 12.027 -6.738 -5.617) 14.887 15.326 ( 12.027 6.738 -5.617) 14.887 17.569 ( -0.221 -2.524 5.587) 6.134 17.569 ( -0.221 2.524 5.587) 6.134 18.266 ( -6.366 -1.670 -9.030) 11.174 18.266 ( -6.366 1.670 -9.030) 11.174 ======================= Grid point 285 (155/205) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 2.997 -7.041 8.936) 11.765 2.821 ( 2.997 7.041 8.936) 11.765 3.131 ( -4.444 -5.738 -1.696) 7.453 3.131 ( -4.444 5.738 -1.696) 7.453 3.310 ( 4.303 -6.420 -3.010) 8.294 3.310 ( 4.303 6.420 -3.010) 8.294 3.908 ( -1.389 -2.416 -10.120) 10.497 3.908 ( -1.389 2.416 -10.120) 10.497 4.397 ( 3.595 -3.055 4.822) 6.746 4.397 ( 3.595 3.055 4.822) 6.746 5.111 ( 1.289 -3.614 -5.081) 6.367 5.111 ( 1.289 3.614 -5.081) 6.367 6.334 ( 2.849 -6.874 -3.839) 8.373 6.334 ( 2.849 6.874 -3.839) 8.373 6.777 ( 4.206 -1.225 0.173) 4.384 6.777 ( 4.206 1.225 0.173) 4.384 7.818 ( -1.756 -5.793 3.024) 6.767 7.818 ( -1.756 5.793 3.024) 6.767 8.341 ( 0.683 -0.731 11.576) 11.619 8.341 ( 0.683 0.731 11.576) 11.619 9.219 ( -2.927 -14.214 4.090) 15.078 9.219 ( -2.927 14.214 4.090) 15.078 9.380 ( 3.138 -13.133 11.792) 17.927 9.380 ( 3.138 13.133 11.792) 17.927 9.810 ( -0.611 -9.831 16.748) 19.430 9.810 ( -0.611 9.831 16.748) 19.430 10.375 ( -7.985 -14.885 7.415) 18.448 10.375 ( -7.985 14.885 7.415) 18.448 11.048 ( -7.061 -2.718 -2.301) 7.908 11.048 ( -7.061 2.718 -2.301) 7.908 11.342 ( -4.372 -2.585 0.193) 5.082 11.342 ( -4.372 2.585 0.193) 5.082 11.782 ( -5.863 -2.998 -13.310) 14.850 11.782 ( -5.863 2.998 -13.310) 14.850 12.192 ( 6.567 -4.683 -5.573) 9.804 12.192 ( 6.567 4.683 -5.573) 9.804 13.301 ( -10.214 -3.668 -10.358) 15.002 13.301 ( -10.214 3.668 -10.358) 15.002 13.825 ( -1.812 -2.670 6.204) 6.993 13.825 ( -1.812 2.670 6.204) 6.993 14.823 ( 9.246 -13.956 3.246) 17.052 14.823 ( 9.246 13.956 3.246) 17.052 15.495 ( 8.120 -10.956 -6.661) 15.177 15.495 ( 8.120 10.956 -6.661) 15.177 17.582 ( -0.843 -0.851 3.834) 4.017 17.582 ( -0.843 0.851 3.834) 4.017 18.118 ( -4.699 -1.641 -6.793) 8.422 18.118 ( -4.699 1.641 -6.793) 8.422 ======================= Grid point 287 (156/205) ======================= q-point: (-0.56 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -0.796 -4.580 10.327) 11.325 2.898 ( -0.796 4.580 10.327) 11.325 2.975 ( -6.324 -2.646 -4.423) 8.159 2.975 ( -6.324 2.646 -4.423) 8.159 3.432 ( 6.519 -5.184 -2.190) 8.612 3.432 ( 6.519 5.184 -2.190) 8.612 3.798 ( -3.954 -5.099 -11.595) 13.269 3.798 ( -3.954 5.099 -11.595) 13.269 4.533 ( 6.213 -3.299 8.399) 10.956 4.533 ( 6.213 3.299 8.399) 10.956 5.105 ( 0.535 -4.309 -4.540) 6.282 5.105 ( 0.535 4.309 -4.540) 6.282 6.362 ( 1.592 -8.380 -4.213) 9.513 6.362 ( 1.592 8.380 -4.213) 9.513 6.834 ( 1.149 -1.328 1.658) 2.415 6.834 ( 1.149 1.328 1.658) 2.415 7.844 ( 2.328 -6.960 4.594) 8.658 7.844 ( 2.328 6.960 4.594) 8.658 8.384 ( 0.177 -1.273 5.379) 5.530 8.384 ( 0.177 1.273 5.379) 5.530 9.133 ( -6.882 -10.932 2.236) 13.110 9.133 ( -6.882 10.932 2.236) 13.110 9.452 ( -1.259 -13.332 11.225) 17.473 9.452 ( -1.258 13.332 11.225) 17.473 9.892 ( -1.357 -10.723 23.241) 25.632 9.892 ( -1.357 10.723 23.241) 25.632 10.303 ( -1.698 -14.001 6.153) 15.388 10.303 ( -1.698 14.001 6.153) 15.388 10.865 ( -10.719 -6.575 -0.356) 12.579 10.865 ( -10.719 6.575 -0.356) 12.579 11.161 ( -9.077 -7.743 -7.297) 13.985 11.161 ( -9.077 7.743 -7.297) 13.985 11.794 ( 8.220 -4.219 -4.141) 10.125 11.794 ( 8.220 4.219 -4.141) 10.125 12.288 ( 6.429 -5.677 -8.395) 12.002 12.288 ( 6.429 5.677 -8.395) 12.002 13.083 ( -7.664 -2.834 -9.983) 12.901 13.083 ( -7.664 2.834 -9.983) 12.901 13.838 ( 0.923 -2.487 3.225) 4.176 13.838 ( 0.923 2.487 3.225) 4.176 14.981 ( 5.216 -14.492 4.850) 16.148 14.981 ( 5.216 14.492 4.850) 16.148 15.572 ( 3.014 -13.958 -7.845) 16.293 15.572 ( 3.014 13.958 -7.845) 16.293 17.563 ( -2.499 -1.352 2.360) 3.693 17.563 ( -2.499 1.352 2.360) 3.693 18.052 ( 1.015 -1.269 -5.234) 5.480 18.052 ( 1.015 1.269 -5.234) 5.480 ======================= Grid point 289 (157/205) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -8.121 -3.716 2.602) 9.302 2.790 ( -8.121 3.716 2.602) 9.302 2.959 ( -0.948 -4.703 5.795) 7.523 2.959 ( -0.948 4.703 5.795) 7.523 3.479 ( -0.177 -7.308 -7.757) 10.658 3.479 ( -0.177 7.308 -7.757) 10.658 3.731 ( 2.567 -7.321 -5.730) 9.645 3.731 ( 2.567 7.321 -5.730) 9.645 4.652 ( 1.490 -4.658 6.771) 8.352 4.652 ( 1.490 4.658 6.771) 8.352 5.103 ( 1.230 -4.724 -3.072) 5.768 5.103 ( 1.230 4.724 -3.072) 5.768 6.348 ( -1.215 -7.178 -4.063) 8.337 6.348 ( -1.215 7.178 -4.063) 8.337 6.832 ( -2.200 -0.933 1.671) 2.916 6.832 ( -2.200 0.933 1.671) 2.916 7.918 ( 2.481 -5.678 3.411) 7.074 7.918 ( 2.481 5.678 3.411) 7.074 8.415 ( 2.246 -0.346 0.130) 2.276 8.415 ( 2.246 0.346 0.130) 2.276 8.980 ( -9.482 -5.336 3.441) 11.412 8.980 ( -9.482 5.336 3.441) 11.412 9.464 ( -2.685 -8.676 14.880) 17.433 9.464 ( -2.685 8.676 14.880) 17.433 9.929 ( -5.452 -9.768 25.119) 27.497 9.929 ( -5.452 9.768 25.119) 27.497 10.341 ( 0.986 -9.377 6.107) 11.234 10.341 ( 0.986 9.377 6.107) 11.234 10.683 ( -6.728 -6.431 -1.110) 9.374 10.683 ( -6.728 6.431 -1.110) 9.374 11.014 ( -2.597 -7.271 -4.420) 8.897 11.014 ( -2.597 7.271 -4.420) 8.897 11.980 ( 11.645 -4.033 -3.807) 12.898 11.980 ( 11.645 4.033 -3.807) 12.898 12.363 ( 6.039 -5.062 -12.263) 14.577 12.363 ( 6.039 5.062 -12.263) 14.577 12.929 ( -4.112 -1.532 -6.388) 7.751 12.929 ( -4.112 1.532 -6.388) 7.751 13.889 ( 3.237 -2.040 1.804) 4.230 13.889 ( 3.237 2.040 1.804) 4.230 15.060 ( 0.732 -13.265 4.623) 14.067 15.060 ( 0.732 13.265 4.623) 14.067 15.538 ( -2.937 -15.166 -8.641) 17.701 15.538 ( -2.937 15.166 -8.641) 17.701 17.517 ( -2.932 -2.415 2.553) 4.576 17.517 ( -2.932 2.415 2.553) 4.576 18.110 ( 7.058 -1.941 -5.729) 9.296 18.110 ( 7.058 1.941 -5.729) 9.296 ======================= Grid point 291 (158/205) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -6.662 -5.987 3.730) 9.703 2.662 ( -6.662 5.987 3.730) 9.703 2.926 ( -5.058 -6.997 5.101) 10.028 2.926 ( -5.058 6.997 5.101) 10.028 3.431 ( 0.185 -2.147 -4.766) 5.230 3.431 ( 0.185 2.147 -4.766) 5.230 3.803 ( 5.442 -8.077 -4.115) 10.573 3.803 ( 5.442 8.077 -4.115) 10.573 4.638 ( -4.430 -5.772 2.724) 7.770 4.638 ( -4.430 5.772 2.724) 7.770 5.123 ( 1.462 -5.536 -2.123) 6.107 5.123 ( 1.462 5.536 -2.123) 6.107 6.288 ( -2.757 -3.617 -3.974) 6.039 6.288 ( -2.757 3.617 -3.974) 6.039 6.770 ( -4.526 -1.096 1.325) 4.842 6.770 ( -4.526 1.096 1.325) 4.842 7.939 ( -0.942 -2.835 0.064) 2.988 7.939 ( -0.942 2.835 0.064) 2.988 8.427 ( -3.778 -4.123 0.194) 5.595 8.427 ( -3.778 4.123 0.194) 5.595 8.885 ( -0.902 -3.248 10.204) 10.746 8.885 ( -0.902 3.248 10.204) 10.746 9.474 ( -3.617 -2.946 14.718) 15.439 9.474 ( -3.617 2.946 14.718) 15.439 9.942 ( -3.240 -10.334 22.999) 25.421 9.942 ( -3.240 10.334 22.999) 25.421 10.372 ( 0.732 -15.527 7.233) 17.145 10.372 ( 0.732 15.527 7.233) 17.145 10.573 ( -4.796 -2.838 -3.935) 6.822 10.573 ( -4.796 2.838 -3.935) 6.822 11.050 ( 6.439 -3.944 1.245) 7.653 11.050 ( 6.439 3.944 1.245) 7.653 12.126 ( 3.107 -0.993 -7.691) 8.354 12.126 ( 3.107 0.993 -7.691) 8.354 12.439 ( 9.853 -7.032 -14.493) 18.884 12.439 ( 9.853 7.032 -14.493) 18.884 12.901 ( 3.227 -3.236 0.118) 4.571 12.901 ( 3.227 3.236 0.118) 4.571 13.979 ( 5.444 -2.842 1.406) 6.300 13.979 ( 5.444 2.842 1.406) 6.300 15.046 ( -3.955 -11.268 2.580) 12.217 15.046 ( -3.955 11.268 2.580) 12.217 15.387 ( -8.642 -14.324 -8.323) 18.685 15.387 ( -8.642 14.324 -8.323) 18.685 17.485 ( -1.869 -3.002 4.043) 5.371 17.485 ( -1.869 3.002 4.043) 5.371 18.252 ( 10.214 -5.282 -7.979) 13.996 18.252 ( 10.214 5.282 -7.979) 13.996 ======================= Grid point 293 (159/205) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -5.502 -5.939 5.947) 10.046 2.566 ( -5.502 5.939 5.947) 10.046 2.831 ( -5.727 -8.639 2.956) 10.778 2.831 ( -5.727 8.639 2.956) 10.778 3.469 ( 4.064 -2.931 1.744) 5.306 3.469 ( 4.064 2.931 1.744) 5.306 3.873 ( 3.688 -7.697 -5.509) 10.159 3.873 ( 3.688 7.697 -5.509) 10.159 4.545 ( -5.121 -7.557 0.748) 9.159 4.545 ( -5.121 7.557 0.748) 9.159 5.120 ( -0.534 -5.784 -3.969) 7.035 5.120 ( -0.534 5.784 -3.969) 7.035 6.228 ( -1.571 -1.956 -2.805) 3.763 6.228 ( -1.571 1.956 -2.805) 3.763 6.688 ( -3.865 -0.950 -0.019) 3.980 6.688 ( -3.865 0.950 -0.019) 3.980 7.905 ( -1.886 -1.879 -0.851) 2.795 7.905 ( -1.886 1.879 -0.851) 2.795 8.291 ( -9.677 -6.227 8.487) 14.299 8.291 ( -9.677 6.227 8.487) 14.299 8.979 ( 1.884 -8.341 11.709) 14.499 8.979 ( 1.884 8.341 11.709) 14.499 9.451 ( -3.036 -4.421 8.130) 9.740 9.451 ( -3.036 4.421 8.130) 9.740 9.989 ( -3.010 -10.175 20.864) 23.408 9.989 ( -3.010 10.175 20.864) 23.408 10.463 ( -2.064 -8.047 -2.117) 8.573 10.463 ( -2.064 8.047 -2.117) 8.573 10.505 ( 7.813 -18.661 9.246) 22.244 10.505 ( 7.813 18.661 9.246) 22.244 11.205 ( 6.981 -5.359 2.843) 9.249 11.205 ( 6.981 5.359 2.843) 9.249 12.040 ( -4.634 -1.992 -12.270) 13.266 12.040 ( -4.634 1.992 -12.270) 13.266 12.604 ( 11.446 -7.076 -13.528) 19.081 12.604 ( 11.446 7.076 -13.528) 19.081 13.046 ( 10.021 -3.950 4.928) 11.845 13.046 ( 10.021 3.950 4.928) 11.845 14.108 ( 6.998 -3.846 1.510) 8.127 14.108 ( 6.998 3.846 1.510) 8.127 14.930 ( -8.085 -10.063 -1.823) 13.036 14.930 ( -8.085 10.063 -1.823) 13.036 15.150 ( -12.147 -11.183 -5.968) 17.557 15.150 ( -12.147 11.183 -5.968) 17.557 17.480 ( -0.903 -3.218 5.693) 6.602 17.480 ( -0.903 3.218 5.693) 6.602 18.408 ( 9.612 -7.307 -10.612) 16.074 18.408 ( 9.612 7.307 -10.612) 16.074 ======================= Grid point 295 (160/205) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -3.548 -7.394 8.990) 12.169 2.508 ( -3.548 7.394 8.990) 12.169 2.760 ( -2.407 -8.694 2.201) 9.285 2.760 ( -2.407 8.694 2.201) 9.285 3.570 ( 4.232 -4.240 2.477) 6.483 3.570 ( 4.232 4.240 2.477) 6.483 3.903 ( 2.463 -4.172 -5.681) 7.467 3.903 ( 2.463 4.172 -5.681) 7.467 4.466 ( -3.232 -9.266 0.472) 9.825 4.466 ( -3.232 9.266 0.472) 9.825 5.076 ( -1.308 -5.579 -5.903) 8.227 5.076 ( -1.308 5.579 -5.903) 8.227 6.211 ( 0.596 -4.313 -1.142) 4.501 6.211 ( 0.596 4.313 -1.142) 4.501 6.630 ( -1.386 -1.118 -3.217) 3.677 6.630 ( -1.386 1.118 -3.217) 3.677 7.883 ( 0.150 -2.424 1.525) 2.868 7.883 ( 0.150 2.424 1.525) 2.868 8.185 ( -6.293 -4.335 14.997) 16.832 8.185 ( -6.293 4.335 14.997) 16.832 8.974 ( -7.144 -7.494 9.826) 14.274 8.974 ( -7.144 7.494 9.826) 14.274 9.462 ( 1.729 -9.869 1.552) 10.139 9.462 ( 1.729 9.869 1.552) 10.139 9.984 ( -7.269 -7.439 22.188) 24.504 9.984 ( -7.269 7.439 22.188) 24.504 10.440 ( 2.874 -16.143 -4.851) 17.099 10.440 ( 2.874 16.143 -4.851) 17.099 10.775 ( 11.142 -16.691 15.754) 25.513 10.775 ( 11.142 16.691 15.754) 25.513 11.291 ( 0.371 -2.458 1.763) 3.048 11.291 ( 0.371 2.458 1.763) 3.048 11.929 ( 0.037 -2.389 -12.232) 12.463 11.929 ( 0.037 2.389 -12.232) 12.463 12.713 ( 5.622 -4.476 -13.941) 15.685 12.713 ( 5.622 4.476 -13.941) 15.685 13.304 ( 13.301 -4.113 7.362) 15.749 13.304 ( 13.301 4.113 7.362) 15.749 14.218 ( 1.610 -3.157 0.616) 3.597 14.218 ( 1.610 3.157 0.616) 3.597 14.754 ( -7.110 -8.439 -4.725) 12.004 14.754 ( -7.110 8.439 -4.725) 12.004 14.902 ( -9.771 -6.238 -4.340) 12.378 14.902 ( -9.771 6.238 -4.340) 12.378 17.495 ( -0.444 -3.349 6.846) 7.634 17.495 ( -0.444 3.349 6.846) 7.634 18.509 ( 5.663 -7.466 -12.355) 15.507 18.509 ( 5.663 7.466 -12.355) 15.507 ======================= Grid point 324 (161/205) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 2.757 0.000 24.857) 25.010 2.293 ( 9.679 0.000 15.910) 18.623 2.620 ( -0.406 0.000 -18.820) 18.825 2.762 ( -5.594 0.000 -15.621) 16.593 3.211 ( 0.716 0.000 4.881) 4.933 3.307 ( -2.400 0.000 0.478) 2.447 3.978 ( 2.723 0.000 16.374) 16.599 4.042 ( -11.085 0.000 3.648) 11.670 4.175 ( 9.354 0.000 2.381) 9.653 4.495 ( -0.835 0.000 -18.156) 18.175 5.149 ( 0.853 0.000 3.115) 3.230 5.174 ( -2.147 0.000 0.540) 2.214 5.949 ( -6.844 0.000 1.958) 7.119 6.062 ( 8.038 0.000 -10.308) 13.072 6.603 ( 7.009 0.000 7.420) 10.207 6.784 ( -9.829 0.000 -8.997) 13.325 7.737 ( 2.816 0.000 -0.536) 2.867 7.763 ( -2.856 0.000 -2.965) 4.117 8.301 ( 22.680 0.000 13.135) 26.209 8.495 ( -22.830 0.000 -6.922) 23.856 8.689 ( 1.002 0.000 14.869) 14.903 9.010 ( 3.506 0.000 -15.697) 16.084 9.113 ( 26.223 0.000 9.468) 27.880 9.333 ( -29.891 0.000 -12.687) 32.472 9.978 ( 2.658 0.000 2.347) 3.546 9.984 ( -4.645 0.000 7.659) 8.957 10.423 ( -2.678 0.000 20.885) 21.056 10.692 ( 14.699 0.000 -3.400) 15.088 10.777 ( -7.812 0.000 20.446) 21.887 10.883 ( -5.411 0.000 15.659) 16.568 11.104 ( -4.723 0.000 -20.759) 21.289 11.350 ( 8.428 0.000 -13.751) 16.129 11.888 ( 12.530 0.000 -6.522) 14.126 11.932 ( -9.651 0.000 -6.328) 11.541 12.597 ( -1.766 0.000 -0.301) 1.792 12.643 ( 6.746 0.000 -6.106) 9.099 13.936 ( 8.754 0.000 5.306) 10.237 14.052 ( -10.659 0.000 -6.204) 12.333 14.551 ( 0.848 0.000 10.969) 11.001 14.602 ( -12.603 0.000 4.627) 13.425 15.104 ( 21.004 0.000 -2.319) 21.131 15.198 ( -7.087 0.000 -10.493) 12.662 15.651 ( 5.990 0.000 5.574) 8.183 15.753 ( -8.416 0.000 -4.755) 9.667 17.093 ( 0.111 0.000 1.567) 1.571 17.126 ( -0.044 0.000 -1.733) 1.733 17.358 ( 5.463 0.000 3.313) 6.389 17.425 ( -7.687 0.000 -3.350) 8.386 ======================= Grid point 325 (162/205) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 9.252 0.000 18.231) 20.444 2.453 ( 6.634 0.000 -21.926) 22.908 2.640 ( 1.000 0.000 -17.199) 17.228 2.662 ( 6.118 0.000 13.309) 14.648 3.229 ( -1.746 0.000 7.573) 7.772 3.288 ( 2.183 0.000 -5.033) 5.486 3.873 ( -7.462 0.000 4.489) 8.708 4.161 ( 7.091 0.000 22.779) 23.857 4.358 ( 8.560 0.000 -0.344) 8.567 4.411 ( 0.979 0.000 -21.776) 21.798 5.100 ( -5.643 0.000 -0.499) 5.665 5.150 ( -2.296 0.000 4.540) 5.087 5.846 ( -4.225 0.000 2.208) 4.767 6.176 ( 7.623 0.000 -9.091) 11.864 6.578 ( -7.004 0.000 -5.701) 9.031 6.799 ( 7.923 0.000 9.149) 12.103 7.728 ( -0.119 0.000 -1.425) 1.430 7.823 ( 6.094 0.000 -0.599) 6.123 8.057 ( -15.869 0.000 -9.180) 18.333 8.603 ( -3.991 0.000 19.345) 19.753 8.725 ( -22.417 0.000 -6.092) 23.230 8.848 ( 14.760 0.000 4.908) 15.554 8.987 ( -3.065 0.000 -18.396) 18.649 9.701 ( 25.640 0.000 11.964) 28.294 9.912 ( -3.308 0.000 3.933) 5.139 10.000 ( -1.132 0.000 1.429) 1.823 10.371 ( -11.059 0.000 10.622) 15.334 10.728 ( -5.477 0.000 24.798) 25.396 10.862 ( -5.620 0.000 19.961) 20.737 10.866 ( -10.152 0.000 -17.288) 20.048 10.935 ( 14.744 0.000 -11.707) 18.826 11.498 ( 12.288 0.000 -18.438) 22.158 11.759 ( -4.487 0.000 -4.442) 6.313 12.085 ( 8.957 0.000 -6.307) 10.955 12.442 ( -13.488 0.000 -5.388) 14.525 12.667 ( 0.427 0.000 -6.690) 6.704 13.791 ( -12.576 0.000 -2.096) 12.750 14.084 ( 1.568 0.000 3.854) 4.161 14.257 ( -20.038 0.000 7.005) 21.227 14.488 ( -11.522 0.000 11.790) 16.485 15.088 ( -0.018 0.000 -12.845) 12.845 15.324 ( 1.153 0.000 -1.653) 2.015 15.852 ( 9.881 0.000 7.872) 12.633 15.873 ( 23.275 0.000 -9.121) 24.998 17.103 ( 0.208 0.000 1.644) 1.657 17.122 ( 0.495 0.000 -1.791) 1.858 17.282 ( -5.793 0.000 -1.605) 6.011 17.477 ( 4.598 0.000 5.473) 7.148 ======================= Grid point 326 (163/205) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 8.271 0.000 -24.365) 25.731 2.527 ( 14.572 0.000 2.700) 14.820 2.661 ( 6.252 0.000 -6.300) 8.876 2.811 ( 1.786 0.000 16.165) 16.263 3.210 ( -3.863 0.000 9.654) 10.399 3.357 ( 7.568 0.000 -8.795) 11.603 3.798 ( -3.151 0.000 4.911) 5.835 4.349 ( 2.860 0.000 -20.867) 21.062 4.401 ( 6.258 0.000 10.546) 12.263 4.491 ( 5.819 0.000 6.866) 9.000 4.959 ( -8.089 0.000 -0.626) 8.114 5.105 ( -4.564 0.000 5.519) 7.162 5.816 ( -0.312 0.000 3.951) 3.964 6.263 ( 5.133 0.000 -7.531) 9.114 6.490 ( -0.782 0.000 -0.590) 0.980 6.899 ( -0.754 0.000 -0.840) 1.129 7.694 ( -0.134 0.000 -4.002) 4.004 7.948 ( 6.769 0.000 -1.240) 6.882 7.980 ( 8.673 0.000 4.034) 9.565 8.392 ( -10.321 0.000 2.179) 10.549 8.512 ( -10.236 0.000 13.475) 16.922 8.817 ( -5.822 0.000 -19.010) 19.882 9.114 ( 7.987 0.000 11.355) 13.883 9.644 ( -15.918 0.000 -9.007) 18.289 9.962 ( -2.299 0.000 -1.562) 2.780 10.097 ( -9.964 0.000 6.009) 11.635 10.399 ( 22.130 0.000 14.676) 26.554 10.576 ( -12.577 0.000 -14.574) 19.250 10.743 ( -7.009 0.000 17.760) 19.093 10.857 ( -3.488 0.000 30.736) 30.933 11.164 ( 14.911 0.000 -14.810) 21.016 11.640 ( 11.367 0.000 -20.720) 23.633 11.724 ( 1.566 0.000 -1.449) 2.133 12.074 ( -20.033 0.000 -4.548) 20.543 12.090 ( -4.107 0.000 -13.030) 13.662 12.675 ( 3.065 0.000 -5.440) 6.244 13.582 ( -9.245 0.000 1.642) 9.390 13.837 ( -16.834 0.000 0.144) 16.834 14.169 ( -1.171 0.000 3.467) 3.659 14.267 ( -14.960 0.000 11.502) 18.870 15.059 ( 1.366 0.000 -7.654) 7.775 15.316 ( 0.013 0.000 -1.680) 1.680 16.059 ( 7.328 0.000 9.516) 12.011 16.296 ( 22.299 0.000 -13.396) 26.014 17.114 ( 0.048 0.000 1.863) 1.863 17.138 ( 2.495 0.000 -1.605) 2.967 17.195 ( -2.617 0.000 -1.131) 2.851 17.566 ( 1.322 0.000 7.161) 7.282 ======================= Grid point 327 (164/205) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 8.094 0.000 -15.100) 17.132 2.750 ( 8.638 0.000 -12.570) 15.252 2.838 ( 9.757 0.000 8.203) 12.747 2.900 ( 2.549 0.000 9.179) 9.526 3.206 ( 1.286 0.000 12.600) 12.665 3.464 ( 6.455 0.000 -7.364) 9.792 3.752 ( -3.775 0.000 0.701) 3.840 4.372 ( 7.913 0.000 -13.751) 15.865 4.381 ( -5.830 0.000 -10.478) 11.991 4.628 ( -2.884 0.000 12.663) 12.987 4.867 ( 1.245 0.000 4.876) 5.032 5.026 ( -6.142 0.000 6.752) 9.127 5.865 ( 2.819 0.000 7.132) 7.669 6.308 ( 2.638 0.000 -6.431) 6.951 6.521 ( 2.640 0.000 2.591) 3.699 6.822 ( -2.402 0.000 -9.454) 9.754 7.762 ( 7.378 0.000 -1.983) 7.639 8.043 ( 2.721 0.000 -1.963) 3.355 8.216 ( 7.744 0.000 1.800) 7.951 8.379 ( -7.875 0.000 10.027) 12.750 8.410 ( 11.254 0.000 18.279) 21.466 8.627 ( -4.954 0.000 -15.291) 16.073 9.214 ( -20.787 0.000 -4.106) 21.189 9.277 ( 2.097 0.000 9.884) 10.104 9.917 ( -0.461 0.000 -5.113) 5.133 9.925 ( -7.860 0.000 1.023) 7.926 10.268 ( -13.137 0.000 -11.924) 17.742 10.463 ( -19.872 0.000 3.878) 20.246 10.877 ( 8.675 0.000 19.573) 21.410 11.026 ( 8.610 0.000 26.234) 27.610 11.366 ( 12.639 0.000 -15.433) 19.948 11.684 ( -15.100 0.000 10.234) 18.241 11.745 ( 6.089 0.000 -14.537) 15.761 11.833 ( 4.566 0.000 0.068) 4.566 11.907 ( -3.296 0.000 -23.662) 23.891 12.657 ( -3.085 0.000 -9.540) 10.026 13.439 ( -6.606 0.000 2.814) 7.180 13.582 ( -9.184 0.000 -1.649) 9.331 14.064 ( -10.706 0.000 11.680) 15.844 14.151 ( -0.470 0.000 -2.042) 2.096 15.065 ( 1.086 0.000 -1.004) 1.479 15.304 ( -0.230 0.000 -4.298) 4.304 16.213 ( 4.305 0.000 10.060) 10.942 16.548 ( 9.638 0.000 -13.445) 16.543 17.120 ( -0.271 0.000 2.060) 2.078 17.166 ( -0.019 0.000 -1.988) 1.988 17.237 ( 9.143 0.000 -2.335) 9.436 17.579 ( -3.424 0.000 7.425) 8.177 ======================= Grid point 328 (165/205) ======================= q-point: (-0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 3.876 0.000 -2.870) 4.823 2.760 ( -5.497 0.000 -1.608) 5.727 2.950 ( 2.484 0.000 1.938) 3.151 3.001 ( 5.662 0.000 -0.045) 5.662 3.453 ( 15.036 0.000 9.634) 17.857 3.527 ( 2.547 0.000 -4.473) 5.147 3.669 ( -3.083 0.000 -0.572) 3.136 4.132 ( -13.126 0.000 -14.146) 19.298 4.513 ( 10.430 0.000 -8.055) 13.178 4.519 ( -10.566 0.000 9.126) 13.961 4.947 ( -4.995 0.000 8.657) 9.994 4.971 ( 4.420 0.000 3.262) 5.493 5.980 ( 4.677 0.000 10.533) 11.525 6.299 ( -0.629 0.000 -7.683) 7.709 6.577 ( 1.056 0.000 3.957) 4.096 6.760 ( 0.312 0.000 -11.152) 11.157 7.917 ( 8.982 0.000 -2.678) 9.373 8.007 ( -5.521 0.000 0.024) 5.521 8.321 ( -2.236 0.000 5.336) 5.786 8.361 ( 8.766 0.000 2.788) 9.199 8.487 ( -1.541 0.000 -9.199) 9.327 8.787 ( -18.332 0.000 -7.540) 19.823 8.872 ( 21.300 0.000 23.623) 31.808 9.378 ( 0.355 0.000 15.438) 15.442 9.820 ( -2.772 0.000 -0.106) 2.774 9.919 ( 3.902 0.000 -7.778) 8.702 9.984 ( -10.876 0.000 -9.235) 14.268 10.008 ( -23.721 0.000 -6.497) 24.595 11.046 ( 0.119 0.000 28.689) 28.690 11.289 ( 6.138 0.000 15.303) 16.488 11.471 ( -11.874 0.000 16.375) 20.227 11.500 ( 6.978 0.000 -13.837) 15.497 11.668 ( -4.096 0.000 -10.743) 11.497 11.874 ( 8.551 0.000 -30.114) 31.304 12.003 ( 9.471 0.000 7.585) 12.134 12.479 ( -9.023 0.000 -13.274) 16.051 13.366 ( -1.911 0.000 3.168) 3.700 13.458 ( -3.152 0.000 -3.053) 4.388 13.967 ( -4.723 0.000 11.577) 12.503 14.143 ( 1.635 0.000 -6.425) 6.630 15.095 ( 1.599 0.000 3.780) 4.105 15.264 ( -1.572 0.000 -6.184) 6.381 16.316 ( 1.802 0.000 10.189) 10.348 16.585 ( 1.230 0.000 -11.554) 11.619 17.122 ( -0.492 0.000 2.062) 2.120 17.165 ( 0.792 0.000 -2.527) 2.648 17.440 ( 12.327 0.000 -5.109) 13.344 17.500 ( -7.645 0.000 6.198) 9.842 ======================= Grid point 329 (166/205) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -14.616 0.000 5.311) 15.552 2.652 ( -4.452 0.000 5.928) 7.413 3.000 ( 2.532 0.000 -1.410) 2.898 3.091 ( 4.280 0.000 -8.211) 9.260 3.508 ( -4.449 0.000 1.697) 4.762 3.526 ( -4.193 0.000 -2.957) 5.131 3.838 ( -7.481 0.000 -15.611) 17.311 3.861 ( 13.966 0.000 12.435) 18.699 4.328 ( -13.388 0.000 10.049) 16.740 4.663 ( 7.807 0.000 -5.482) 9.539 4.922 ( -1.601 0.000 7.767) 7.930 5.048 ( 3.415 0.000 -0.484) 3.449 6.111 ( 3.483 0.000 10.472) 11.036 6.215 ( -3.658 0.000 -10.728) 11.334 6.594 ( -1.046 0.000 6.074) 6.164 6.711 ( -1.002 0.000 -10.949) 10.995 7.876 ( -7.432 0.000 0.672) 7.462 8.049 ( 5.150 0.000 -3.476) 6.213 8.308 ( -1.234 0.000 4.241) 4.417 8.453 ( 4.074 0.000 -7.675) 8.689 8.462 ( -13.089 0.000 -3.357) 13.512 8.629 ( 14.701 0.000 7.686) 16.589 9.267 ( -17.588 0.000 -11.512) 21.020 9.382 ( 20.011 0.000 20.058) 28.333 9.700 ( -3.898 0.000 11.246) 11.902 9.752 ( -8.471 0.000 -8.089) 11.713 9.839 ( 3.782 0.000 5.056) 6.314 10.056 ( 13.483 0.000 -3.673) 13.974 11.106 ( -9.353 0.000 31.929) 33.270 11.346 ( -5.449 0.000 14.979) 15.939 11.451 ( 3.761 0.000 12.825) 13.365 11.458 ( -3.830 0.000 -16.517) 16.955 11.585 ( -1.568 0.000 -10.755) 10.869 11.912 ( 8.739 0.000 -25.961) 27.392 12.235 ( 9.879 0.000 11.066) 14.834 12.236 ( -8.964 0.000 -16.176) 18.494 13.401 ( 4.226 0.000 2.786) 5.061 13.427 ( 1.524 0.000 -3.226) 3.568 13.972 ( -0.130 0.000 10.621) 10.622 14.163 ( 4.074 0.000 -8.099) 9.067 15.159 ( 2.880 0.000 4.802) 5.600 15.191 ( -3.259 0.000 -6.092) 6.909 16.364 ( -1.891 0.000 10.530) 10.699 16.528 ( -1.672 0.000 -11.034) 11.159 17.122 ( -0.361 0.000 1.887) 1.921 17.169 ( 0.687 0.000 -2.694) 2.780 17.353 ( -9.420 0.000 3.930) 10.207 17.631 ( 9.707 0.000 -7.143) 12.052 ======================= Grid point 330 (167/205) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -16.936 0.000 11.884) 20.690 2.485 ( -16.799 0.000 11.553) 20.388 3.039 ( 3.017 0.000 -4.449) 5.376 3.041 ( -4.454 0.000 -10.297) 11.219 3.406 ( -7.379 0.000 -1.720) 7.577 3.437 ( 0.017 0.000 -5.540) 5.540 3.760 ( 1.708 0.000 -2.299) 2.864 4.115 ( -12.316 0.000 9.156) 15.347 4.129 ( 7.344 0.000 13.316) 15.207 4.768 ( 4.571 0.000 -2.487) 5.204 4.926 ( -0.175 0.000 1.110) 1.124 5.109 ( 3.216 0.000 -0.727) 3.297 6.087 ( -3.617 0.000 -12.491) 13.004 6.176 ( -1.159 0.000 7.133) 7.227 6.621 ( -3.339 0.000 -9.707) 10.265 6.638 ( 3.488 0.000 9.568) 10.184 7.742 ( -6.348 0.000 -0.582) 6.375 8.065 ( -1.709 0.000 -3.296) 3.712 8.242 ( -9.274 0.000 0.620) 9.295 8.335 ( 1.277 0.000 9.401) 9.488 8.558 ( 10.027 0.000 -8.146) 12.918 8.801 ( -19.374 0.000 -18.848) 27.029 8.991 ( 17.259 0.000 10.974) 20.452 9.565 ( -5.158 0.000 -11.780) 12.860 9.774 ( 12.396 0.000 12.706) 17.751 9.784 ( 4.201 0.000 11.242) 12.002 9.995 ( 7.339 0.000 12.880) 14.824 10.436 ( 23.678 0.000 5.532) 24.315 11.003 ( -13.038 0.000 27.793) 30.699 11.215 ( -14.261 0.000 -15.970) 21.411 11.262 ( -10.951 0.000 18.428) 21.436 11.505 ( 0.488 0.000 -16.638) 16.645 11.664 ( 12.004 0.000 9.951) 15.592 11.897 ( -7.020 0.000 -12.335) 14.193 12.084 ( 7.465 0.000 -23.823) 24.966 12.451 ( 6.643 0.000 11.000) 12.850 13.487 ( 5.670 0.000 -2.333) 6.131 13.552 ( 10.680 0.000 1.432) 10.776 14.044 ( 3.030 0.000 8.690) 9.203 14.246 ( 8.218 0.000 -6.644) 10.568 15.088 ( -5.207 0.000 -3.617) 6.340 15.238 ( 3.486 0.000 2.580) 4.336 16.308 ( -9.664 0.000 10.850) 14.530 16.427 ( -3.966 0.000 -11.371) 12.043 17.126 ( -0.289 0.000 2.001) 2.022 17.166 ( 0.146 0.000 -2.500) 2.504 17.204 ( -6.076 0.000 1.205) 6.195 17.735 ( 4.326 0.000 -8.421) 9.467 ======================= Grid point 331 (168/205) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -13.776 0.000 19.232) 23.657 2.196 ( -16.743 0.000 19.120) 25.415 2.900 ( -4.566 0.000 -12.811) 13.600 3.075 ( 3.073 0.000 -9.060) 9.567 3.231 ( -9.788 0.000 1.586) 9.916 3.415 ( -0.227 0.000 -8.593) 8.596 3.836 ( 3.096 0.000 13.037) 13.399 3.965 ( -5.285 0.000 2.255) 5.746 4.252 ( -0.317 0.000 11.763) 11.768 4.753 ( -4.254 0.000 -6.407) 7.690 4.976 ( 5.597 0.000 -1.015) 5.688 5.161 ( 2.114 0.000 0.251) 2.128 5.992 ( -0.204 0.000 -12.023) 12.025 6.143 ( -4.351 0.000 5.424) 6.953 6.522 ( -2.522 0.000 -6.344) 6.827 6.818 ( 9.680 0.000 8.350) 12.784 7.643 ( -2.735 0.000 0.074) 2.736 7.978 ( -5.103 0.000 -3.700) 6.303 8.060 ( -11.053 0.000 -1.051) 11.102 8.441 ( 3.123 0.000 12.962) 13.333 8.501 ( -1.215 0.000 -7.210) 7.311 8.741 ( 12.354 0.000 -9.676) 15.692 9.200 ( -6.325 0.000 4.150) 7.565 9.550 ( 12.177 0.000 -2.072) 12.352 9.916 ( 4.843 0.000 6.557) 8.152 10.054 ( 13.718 0.000 6.184) 15.047 10.195 ( 5.138 0.000 20.156) 20.801 10.666 ( -18.855 0.000 -11.061) 21.859 10.881 ( -10.495 0.000 22.045) 24.415 10.983 ( 11.509 0.000 -4.979) 12.540 11.110 ( -12.935 0.000 20.608) 24.331 11.488 ( 7.745 0.000 -23.090) 24.355 11.664 ( -10.126 0.000 -4.602) 11.123 11.945 ( 11.951 0.000 5.774) 13.273 12.216 ( 13.855 0.000 -16.817) 21.790 12.558 ( 0.422 0.000 6.833) 6.846 13.607 ( 7.192 0.000 -1.201) 7.292 13.833 ( 18.068 0.000 0.402) 18.073 14.158 ( 5.243 0.000 5.582) 7.658 14.421 ( 11.849 0.000 -3.824) 12.450 14.963 ( -6.887 0.000 1.067) 6.969 15.308 ( 3.143 0.000 -0.705) 3.221 16.072 ( -19.041 0.000 9.467) 21.264 16.266 ( -7.952 0.000 -11.330) 13.842 17.102 ( -2.078 0.000 1.872) 2.797 17.153 ( -0.320 0.000 -2.103) 2.127 17.179 ( 2.132 0.000 0.494) 2.189 17.718 ( -2.224 0.000 -8.271) 8.565 ======================= Grid point 332 (169/205) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -6.047 0.000 24.722) 25.451 2.104 ( -1.789 0.000 23.910) 23.977 2.751 ( -3.595 0.000 -18.959) 19.297 2.965 ( -8.153 0.000 -12.688) 15.082 3.169 ( 1.067 0.000 3.813) 3.959 3.360 ( -2.927 0.000 -0.529) 2.975 3.912 ( -2.106 0.000 13.634) 13.796 3.995 ( 8.020 0.000 1.185) 8.107 4.214 ( -7.817 0.000 7.031) 10.514 4.613 ( -4.411 0.000 -13.249) 13.964 5.085 ( 4.698 0.000 1.358) 4.891 5.187 ( 0.285 0.000 0.735) 0.788 5.983 ( 4.491 0.000 -11.043) 11.922 6.065 ( -5.981 0.000 3.558) 6.959 6.498 ( 1.935 0.000 0.122) 1.939 6.948 ( -1.012 0.000 -3.467) 3.612 7.690 ( 4.637 0.000 3.161) 5.612 7.858 ( -5.171 0.000 -3.783) 6.407 7.923 ( 4.265 0.000 2.518) 4.953 8.562 ( 5.046 0.000 15.149) 15.968 8.674 ( 14.725 0.000 6.119) 15.945 8.899 ( -3.671 0.000 -3.778) 5.268 8.952 ( -4.410 0.000 -11.840) 12.635 9.781 ( 4.681 0.000 1.739) 4.994 10.000 ( 0.417 0.000 6.104) 6.119 10.078 ( -26.541 0.000 -14.802) 30.390 10.345 ( 0.183 0.000 24.547) 24.548 10.381 ( 16.586 0.000 4.456) 17.174 10.811 ( -5.185 0.000 15.403) 16.253 10.965 ( -11.365 0.000 21.766) 24.555 11.139 ( 6.689 0.000 -12.829) 14.468 11.415 ( -4.169 0.000 -23.368) 23.737 11.682 ( 10.730 0.000 -1.895) 10.896 12.081 ( -0.783 0.000 -2.098) 2.239 12.452 ( 14.908 0.000 -7.883) 16.864 12.575 ( 0.872 0.000 3.483) 3.590 13.753 ( 8.209 0.000 1.445) 8.336 14.148 ( 6.699 0.000 -2.802) 7.261 14.327 ( 14.752 0.000 2.558) 14.972 14.619 ( 7.759 0.000 -0.882) 7.809 14.876 ( -0.989 0.000 6.198) 6.276 15.341 ( -0.115 0.000 -3.729) 3.730 15.720 ( -17.526 0.000 6.495) 18.690 16.019 ( -12.727 0.000 -9.081) 15.635 17.088 ( -0.413 0.000 1.618) 1.670 17.138 ( -0.352 0.000 -1.788) 1.822 17.249 ( 4.481 0.000 1.582) 4.752 17.592 ( -6.941 0.000 -6.100) 9.240 ======================= Grid point 333 (170/205) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.202 8.895 22.964) 24.725 2.362 ( 8.174 6.198 14.169) 17.493 2.690 ( -0.763 5.608 -16.516) 17.459 2.802 ( -3.976 3.212 -14.047) 14.948 3.225 ( 1.408 1.983 6.184) 6.645 3.368 ( -2.033 5.349 -4.713) 7.413 3.959 ( -2.118 -1.041 13.771) 13.972 4.051 ( -5.484 0.359 5.024) 7.446 4.147 ( 6.888 -2.221 4.348) 8.443 4.490 ( -0.164 -0.424 -17.840) 17.846 5.096 ( 2.147 -4.313 3.961) 6.237 5.148 ( -2.899 -2.522 -1.125) 4.004 6.004 ( -4.548 4.539 3.088) 7.129 6.124 ( 5.702 5.656 -9.679) 12.578 6.565 ( 5.986 -3.063 4.233) 7.946 6.686 ( -7.827 -8.056 -6.581) 13.018 7.776 ( 1.998 2.792 -0.908) 3.551 7.786 ( -1.946 3.861 -2.069) 4.793 8.339 ( 17.715 0.810 7.430) 19.228 8.456 ( -13.251 -0.722 -3.592) 13.748 8.811 ( -6.898 10.232 19.976) 23.480 9.043 ( 18.874 -3.033 4.616) 19.666 9.223 ( 10.229 11.258 -10.918) 18.724 9.274 ( -27.848 -0.819 -10.875) 29.908 9.901 ( -1.091 -4.504 7.088) 8.469 9.992 ( 1.568 -0.852 0.841) 1.973 10.463 ( -1.353 2.747 18.605) 18.855 10.695 ( 2.352 1.807 -0.272) 2.978 10.810 ( -7.404 0.877 26.385) 27.418 10.954 ( 0.952 7.007 4.253) 8.252 11.136 ( -0.625 2.379 -16.581) 16.763 11.393 ( 6.970 4.120 -15.534) 17.517 11.855 ( 9.856 -2.489 -2.643) 10.503 11.963 ( -8.553 2.351 -9.282) 12.839 12.551 ( 4.447 -4.814 1.432) 6.708 12.627 ( 0.617 -1.373 -6.383) 6.558 13.902 ( 9.576 -3.262 5.762) 11.643 14.021 ( -11.368 -2.866 -6.114) 13.222 14.423 ( 3.327 -10.629 10.701) 15.446 14.532 ( -11.274 -7.790 1.138) 13.751 14.980 ( -12.684 -14.749 -3.713) 19.804 15.009 ( 23.381 -8.446 -5.378) 25.435 15.549 ( 6.121 -11.022 3.036) 12.967 15.585 ( -9.606 -16.365 -0.548) 18.984 17.112 ( -0.736 5.273 2.317) 5.806 17.167 ( 1.337 8.831 -3.093) 9.452 17.590 ( 3.442 16.783 4.423) 17.694 17.705 ( -5.158 19.303 -7.128) 21.214 ======================= Grid point 334 (171/205) ======================= q-point: ( 0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 7.415 6.562 15.283) 18.210 2.531 ( 8.218 6.279 -15.887) 18.957 2.692 ( 2.183 3.361 -1.786) 4.388 2.711 ( 2.908 5.538 -4.038) 7.445 3.243 ( -2.330 2.077 5.327) 6.174 3.343 ( 2.314 4.405 -5.483) 7.404 3.847 ( -7.236 -2.026 5.172) 9.122 4.170 ( 5.543 0.819 21.198) 21.926 4.293 ( 6.789 -5.828 -1.148) 9.021 4.429 ( 2.204 1.583 -18.571) 18.769 5.055 ( -5.761 -3.468 -1.682) 6.931 5.138 ( -0.021 -1.598 4.266) 4.556 5.910 ( -4.513 5.725 1.395) 7.422 6.236 ( 7.918 5.146 -7.199) 11.874 6.527 ( -5.130 -4.170 -4.046) 7.751 6.729 ( 7.383 -6.076 5.652) 11.108 7.678 ( -3.404 -0.709 -0.437) 3.504 7.918 ( 7.873 6.548 -1.343) 10.328 8.124 ( -14.242 5.218 -7.044) 16.723 8.632 ( 3.543 -8.504 0.961) 9.263 8.714 ( -14.232 -1.573 0.747) 14.338 8.805 ( -8.521 14.331 16.706) 23.602 9.205 ( 4.551 12.169 -13.032) 18.402 9.673 ( 28.121 -2.940 10.857) 30.287 9.882 ( -3.150 -2.395 3.172) 5.071 9.978 ( -2.983 -1.047 -3.379) 4.627 10.402 ( -11.712 3.195 11.360) 16.626 10.688 ( -2.731 -2.265 16.713) 17.086 10.859 ( -3.746 0.737 15.154) 15.628 10.950 ( -8.601 6.130 -0.431) 10.571 11.028 ( 7.857 7.124 -15.043) 18.406 11.507 ( 10.861 0.669 -19.753) 22.552 11.755 ( -4.894 -0.240 -4.062) 6.364 12.087 ( 9.660 -0.283 -2.847) 10.075 12.430 ( -13.462 -1.308 -8.428) 15.937 12.624 ( 0.558 -4.180 -3.284) 5.345 13.752 ( -12.597 -3.624 -2.608) 13.365 14.064 ( 1.964 -1.751 4.193) 4.950 14.195 ( -19.719 -6.207 4.069) 21.070 14.411 ( -9.010 -6.330 10.865) 15.469 14.810 ( -2.193 -19.165 -6.498) 20.355 15.294 ( 3.274 -6.681 -4.202) 8.544 15.663 ( 20.949 -16.939 -4.752) 27.357 15.747 ( 10.945 -11.877 5.532) 17.073 17.118 ( 0.562 6.371 1.801) 6.645 17.182 ( 1.657 8.197 -3.508) 9.069 17.561 ( -5.880 18.900 -3.442) 20.091 17.680 ( 2.203 15.082 5.180) 16.098 ======================= Grid point 335 (172/205) ======================= q-point: ( 0.22 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 6.850 2.191 -9.619) 12.011 2.640 ( 11.555 6.170 -18.968) 23.051 2.734 ( 6.855 6.467 3.615) 10.094 2.839 ( 2.761 3.806 13.537) 14.330 3.213 ( -3.177 0.741 7.444) 8.128 3.386 ( 4.814 1.973 -8.136) 9.657 3.785 ( -2.152 -1.224 5.458) 5.994 4.303 ( 1.285 -2.496 -4.039) 4.919 4.383 ( 4.226 -7.314 -5.739) 10.212 4.475 ( 6.574 2.971 8.940) 11.488 4.921 ( -6.907 -2.586 -1.513) 7.529 5.131 ( -2.574 1.153 3.546) 4.531 5.864 ( -0.981 4.508 2.287) 5.149 6.339 ( 5.210 6.315 -5.112) 9.652 6.479 ( 1.148 -0.471 0.363) 1.293 6.834 ( 1.716 -5.951 -1.871) 6.470 7.662 ( 2.110 -0.651 0.513) 2.266 7.934 ( -1.126 -0.399 0.652) 1.361 8.068 ( 5.991 7.159 -1.836) 9.514 8.414 ( -8.394 3.058 2.011) 9.158 8.656 ( -4.002 -0.845 0.524) 4.124 8.779 ( -3.931 11.867 8.286) 14.997 9.250 ( 3.208 8.459 0.623) 9.068 9.709 ( -13.489 5.773 -12.120) 19.031 9.892 ( -3.626 -4.734 -0.821) 6.019 10.192 ( -11.854 5.848 7.053) 14.982 10.243 ( 20.879 -9.377 10.176) 25.048 10.652 ( -6.862 3.566 -8.499) 11.491 10.759 ( -4.900 0.949 15.845) 16.613 10.846 ( -7.405 0.183 24.610) 25.701 11.216 ( 13.910 4.629 -11.332) 18.529 11.624 ( 10.136 -1.662 -18.611) 21.257 11.709 ( 0.425 -1.253 -2.494) 2.823 12.049 ( -19.344 -2.514 -6.750) 20.641 12.131 ( -2.962 3.155 -9.886) 10.791 12.643 ( 2.793 -3.325 -3.094) 5.332 13.547 ( -8.382 -3.868 0.692) 9.257 13.795 ( -17.637 -3.950 0.461) 18.080 14.094 ( -3.656 -5.785 0.356) 6.853 14.235 ( -12.145 -3.370 9.912) 16.035 14.810 ( 3.385 -16.577 -1.820) 17.016 15.310 ( 1.010 -5.495 -1.804) 5.871 15.942 ( 8.520 -10.562 6.194) 14.916 16.086 ( 20.309 -17.658 -8.420) 28.198 17.160 ( 3.517 7.749 0.549) 8.528 17.198 ( 1.782 7.018 -3.756) 8.157 17.440 ( -5.172 16.948 -1.470) 17.781 17.724 ( -0.702 12.157 6.784) 13.939 ======================= Grid point 336 (173/205) ======================= q-point: ( 0.33 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 8.039 1.276 -12.200) 14.666 2.765 ( 9.671 0.703 -11.549) 15.080 2.894 ( -1.742 5.197 5.147) 7.519 2.949 ( 7.966 4.659 7.738) 12.043 3.216 ( 1.003 0.898 12.056) 12.130 3.458 ( 6.812 -0.726 -7.612) 10.240 3.763 ( -2.927 0.439 0.660) 3.033 4.266 ( -3.233 -7.046 -5.349) 9.419 4.406 ( 4.741 0.066 -13.150) 13.978 4.615 ( -1.689 -0.826 14.034) 14.160 4.837 ( 0.988 -1.746 1.390) 2.441 5.071 ( -5.022 3.075 3.291) 6.746 5.895 ( 2.350 2.972 5.924) 7.032 6.381 ( 1.198 5.311 -4.449) 7.031 6.552 ( 4.631 3.489 2.475) 6.304 6.812 ( 0.062 -1.108 -8.463) 8.535 7.759 ( 6.977 -0.242 1.706) 7.186 8.035 ( 7.681 -4.985 4.998) 10.432 8.123 ( 0.388 1.140 0.223) 1.225 8.363 ( 0.075 6.310 4.337) 7.657 8.570 ( -3.449 -0.899 -8.515) 9.231 8.783 ( 2.700 18.548 13.217) 22.935 9.239 ( -15.702 2.185 2.121) 15.995 9.400 ( -2.404 10.517 -3.528) 11.351 9.816 ( -3.513 -4.828 -3.261) 6.803 10.026 ( -7.441 4.758 4.082) 9.730 10.259 ( -11.023 1.225 -11.439) 15.933 10.553 ( -16.306 6.940 3.407) 18.046 10.827 ( 13.176 -5.308 9.448) 17.060 10.932 ( 2.273 -7.153 28.387) 29.363 11.402 ( 10.621 3.226 -15.218) 18.836 11.628 ( -12.934 -4.564 9.033) 16.423 11.733 ( 2.929 -2.322 -9.889) 10.572 11.789 ( 3.114 -1.897 -8.032) 8.821 12.011 ( -0.676 7.002 -13.771) 15.464 12.635 ( -2.613 -2.498 -7.215) 8.070 13.425 ( -5.048 -3.283 1.133) 6.128 13.512 ( -11.429 -5.602 -0.119) 12.729 13.999 ( -6.103 -4.841 3.082) 8.377 14.080 ( -5.833 -6.335 1.696) 8.777 14.898 ( 5.098 -10.889 2.880) 12.363 15.304 ( -0.878 -3.461 -3.199) 4.794 16.102 ( 4.841 -10.290 8.434) 14.157 16.346 ( 10.728 -16.291 -10.209) 22.016 17.209 ( 1.688 7.340 -3.587) 8.342 17.249 ( 2.976 6.941 -2.473) 7.947 17.380 ( 1.414 12.988 1.339) 13.133 17.705 ( -4.274 9.983 6.266) 12.537 ======================= Grid point 337 (174/205) ======================= q-point: (-0.56 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 4.976 2.355 -3.029) 6.284 2.800 ( -8.538 3.120 0.395) 9.099 2.926 ( 9.651 -0.967 -4.379) 10.642 3.016 ( -1.587 0.952 3.319) 3.800 3.366 ( 7.333 -4.631 6.172) 10.644 3.621 ( 10.379 4.456 -0.739) 11.320 3.661 ( -5.010 -0.968 -1.716) 5.384 4.094 ( -10.328 -3.674 -10.192) 14.968 4.481 ( 1.349 -0.473 2.803) 3.147 4.571 ( -0.767 3.095 -0.617) 3.248 4.926 ( 4.237 -3.374 3.414) 6.402 4.983 ( -5.072 3.042 4.040) 7.163 6.003 ( 4.971 2.203 10.060) 11.435 6.343 ( -2.493 3.100 -7.213) 8.237 6.638 ( 2.319 5.714 3.138) 6.919 6.788 ( 1.077 2.379 -9.147) 9.512 7.921 ( 7.788 0.154 2.155) 8.082 8.064 ( -3.616 4.739 -2.186) 6.349 8.215 ( 5.365 -6.111 6.180) 10.214 8.445 ( 4.631 2.457 2.493) 5.805 8.465 ( -0.505 2.887 -7.161) 7.737 8.832 ( -17.959 4.283 -4.951) 19.115 9.025 ( 12.235 12.205 16.930) 24.192 9.458 ( 0.916 7.548 10.613) 13.056 9.730 ( -3.643 -6.297 -5.407) 9.064 9.926 ( -7.054 3.874 6.077) 10.085 10.009 ( -7.222 5.299 -9.477) 13.040 10.215 ( -12.889 11.963 -9.005) 19.757 11.005 ( 0.035 -4.596 24.652) 25.077 11.149 ( 8.084 -11.175 8.070) 15.980 11.417 ( -13.366 -4.288 16.429) 21.609 11.498 ( 5.599 -1.307 -10.417) 11.898 11.676 ( -3.419 0.005 -5.301) 6.308 11.875 ( 8.965 0.212 -22.726) 24.431 12.071 ( 8.725 5.585 0.751) 10.386 12.481 ( -8.135 -0.152 -11.593) 14.164 13.346 ( -3.467 -3.086 1.750) 4.961 13.377 ( -2.479 -8.190 -0.931) 8.608 13.914 ( -4.727 -3.226 7.565) 9.486 14.027 ( 0.883 -9.442 -5.527) 10.976 15.020 ( 5.520 -5.755 5.106) 9.469 15.244 ( -3.425 -3.108 -5.126) 6.905 16.202 ( 1.366 -10.613 9.331) 14.198 16.427 ( 2.997 -13.350 -10.086) 16.998 17.224 ( -1.604 8.112 -0.845) 8.313 17.226 ( 0.445 6.056 -2.183) 6.453 17.524 ( 10.609 7.682 -2.129) 13.270 17.619 ( -6.749 9.561 4.043) 12.382 ======================= Grid point 338 (175/205) ======================= q-point: (-0.44 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -14.544 1.660 5.664) 15.696 2.699 ( -4.766 4.246 6.257) 8.938 2.965 ( 0.031 -2.480 -4.634) 5.256 3.103 ( 8.427 0.404 -5.207) 9.914 3.479 ( -8.415 -1.943 -5.882) 10.449 3.511 ( 3.895 -2.350 6.376) 7.833 3.786 ( -6.218 -1.640 -2.740) 6.990 3.944 ( 8.844 3.260 -1.809) 9.598 4.368 ( -11.842 4.017 8.785) 15.282 4.659 ( 6.697 0.125 -4.606) 8.129 4.923 ( -2.665 0.357 3.846) 4.693 5.015 ( 3.885 -2.272 1.381) 4.708 6.151 ( 4.672 3.071 10.791) 12.154 6.232 ( -4.382 1.273 -10.373) 11.333 6.658 ( -1.623 5.767 4.210) 7.322 6.750 ( -1.307 3.445 -9.017) 9.740 7.917 ( -6.723 3.513 0.973) 7.647 8.094 ( 4.830 4.077 -4.031) 7.497 8.289 ( 0.163 -1.657 5.939) 6.168 8.374 ( -1.470 -5.765 -7.475) 9.554 8.521 ( -11.219 5.407 -3.050) 12.822 8.694 ( 14.958 5.721 6.830) 17.411 9.330 ( -5.580 4.663 -1.526) 7.430 9.408 ( 7.812 3.747 5.242) 10.126 9.710 ( 1.784 -0.285 12.806) 12.933 9.800 ( -7.771 5.049 -6.980) 11.602 9.876 ( -1.350 7.008 10.242) 12.484 10.199 ( 12.516 10.902 -5.047) 17.349 11.062 ( -5.281 -7.199 22.836) 24.519 11.228 ( -10.111 -4.346 10.225) 15.022 11.286 ( 0.091 -11.170 4.846) 12.176 11.546 ( 0.175 -3.993 2.890) 4.932 11.598 ( 0.575 5.610 -8.806) 10.457 11.925 ( 7.686 1.043 -25.085) 26.257 12.249 ( -5.687 1.802 -9.194) 10.960 12.288 ( 6.877 3.568 2.443) 8.123 13.346 ( 2.475 -6.250 1.836) 6.969 13.376 ( 3.073 -6.148 -0.911) 6.934 13.887 ( -1.409 -5.547 7.357) 9.321 14.061 ( 5.299 -7.861 -6.132) 11.290 15.128 ( -3.646 -3.169 -3.594) 6.021 15.151 ( 3.272 -3.918 2.189) 5.554 16.227 ( -3.455 -12.156 9.495) 15.807 16.396 ( -1.295 -11.796 -9.732) 15.347 17.178 ( -2.410 5.555 1.780) 6.311 17.239 ( 0.814 6.601 -1.541) 6.827 17.495 ( -6.514 11.334 0.856) 13.100 17.714 ( 10.121 7.111 -5.526) 13.547 ======================= Grid point 339 (176/205) ======================= q-point: (-0.33 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -15.468 3.000 11.652) 19.596 2.527 ( -15.608 3.885 10.620) 19.274 2.990 ( 3.807 -1.190 -4.116) 5.731 3.141 ( -3.649 5.498 -9.342) 11.437 3.344 ( -2.704 -4.197 -0.408) 5.009 3.466 ( -5.605 1.148 -5.346) 7.831 3.767 ( 5.850 -0.664 -0.420) 5.903 4.124 ( 5.241 -0.330 7.514) 9.168 4.160 ( -12.803 4.828 9.037) 16.398 4.757 ( 5.016 -1.062 -2.264) 5.605 4.891 ( -1.719 -2.428 -1.093) 3.169 5.093 ( 3.451 -1.109 1.477) 3.914 6.090 ( -4.085 0.967 -10.789) 11.577 6.265 ( 1.450 5.844 6.842) 9.114 6.639 ( -2.039 1.671 -1.604) 3.086 6.668 ( -2.195 3.182 0.088) 3.867 7.789 ( -5.996 4.144 -2.094) 7.583 8.078 ( -3.520 1.219 -2.352) 4.405 8.232 ( -7.470 -3.288 -3.273) 8.794 8.354 ( 0.121 -0.890 6.271) 6.335 8.443 ( 3.398 2.561 -2.982) 5.196 9.031 ( 0.574 10.752 -2.518) 11.058 9.078 ( 7.422 10.649 0.763) 13.003 9.539 ( -5.004 -1.208 -7.214) 8.862 9.702 ( 5.259 -0.838 9.592) 10.971 9.944 ( 7.682 -3.116 15.583) 17.651 9.980 ( 9.805 12.200 7.749) 17.465 10.529 ( 18.825 7.270 5.249) 20.851 11.003 ( -8.466 -9.035 6.282) 13.884 11.035 ( -13.753 -4.014 13.494) 19.681 11.239 ( -6.142 -3.678 7.211) 10.161 11.472 ( -4.389 -3.680 -4.331) 7.181 11.719 ( 9.361 3.569 -2.628) 10.357 11.933 ( -1.188 2.433 -10.555) 10.897 12.080 ( 2.999 0.469 -20.837) 21.057 12.482 ( 6.451 2.305 7.562) 10.204 13.433 ( 5.614 -6.186 0.320) 8.360 13.505 ( 10.510 -5.624 0.576) 11.934 13.927 ( 2.592 -7.649 6.598) 10.428 14.179 ( 9.478 -5.886 -4.874) 12.175 14.987 ( -6.760 -6.490 -5.808) 11.025 15.245 ( 3.181 -2.456 2.777) 4.885 16.133 ( -10.695 -13.851 8.466) 19.440 16.297 ( -5.069 -12.842 -8.463) 16.193 17.148 ( -1.766 4.184 2.714) 5.291 17.228 ( -1.906 7.571 -0.214) 7.810 17.411 ( -1.176 14.315 -1.852) 14.482 17.848 ( 6.547 9.036 -8.110) 13.794 ======================= Grid point 340 (177/205) ======================= q-point: (-0.22 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -10.173 6.924 18.173) 21.947 2.269 ( -15.319 6.606 17.614) 24.260 2.976 ( -5.427 6.139 -12.704) 15.117 3.055 ( 3.409 -1.115 -6.128) 7.101 3.206 ( -10.014 -2.033 2.344) 10.483 3.441 ( 2.776 1.747 -8.179) 8.812 3.883 ( 5.525 1.523 -0.445) 5.748 3.989 ( -9.042 5.044 13.743) 17.207 4.206 ( -0.198 -4.194 8.308) 9.309 4.747 ( -4.479 -0.591 -7.764) 8.982 4.916 ( 5.226 -4.767 -0.365) 7.083 5.154 ( 2.103 -0.808 1.399) 2.653 5.997 ( -0.652 0.973 -9.198) 9.273 6.257 ( -3.882 8.957 3.317) 10.310 6.537 ( -3.382 1.243 -6.931) 7.812 6.751 ( 5.311 -5.612 7.215) 10.572 7.682 ( -3.416 3.845 -2.228) 5.605 7.985 ( -3.569 -0.501 -3.036) 4.712 8.089 ( -5.870 2.946 -3.143) 7.281 8.405 ( 2.020 -1.591 9.373) 9.719 8.512 ( 4.460 4.788 1.640) 6.746 8.945 ( 2.886 14.018 -7.460) 16.140 9.263 ( -6.850 5.985 4.627) 10.205 9.543 ( 13.603 -0.260 0.281) 13.609 9.846 ( 5.085 -2.906 6.710) 8.907 10.110 ( 4.637 -2.981 11.310) 12.582 10.259 ( 11.251 10.796 9.917) 18.479 10.586 ( -17.787 -6.602 -7.384) 20.359 10.905 ( -0.783 -1.444 2.406) 2.913 10.938 ( -4.348 0.136 24.010) 24.401 11.194 ( -3.201 6.691 10.332) 12.719 11.426 ( 7.780 -5.611 -17.956) 20.357 11.671 ( -7.688 0.952 -6.697) 10.240 12.015 ( 9.639 4.441 2.599) 10.926 12.179 ( 12.667 -2.926 -15.479) 20.214 12.570 ( 0.228 1.005 4.260) 4.383 13.554 ( 6.883 -5.510 -0.130) 8.818 13.783 ( 17.646 -6.220 1.612) 18.780 14.042 ( 6.088 -7.499 5.344) 11.039 14.373 ( 12.029 -5.134 -3.688) 13.589 14.828 ( -7.221 -9.014 -3.574) 12.090 15.287 ( 0.284 -4.663 0.417) 4.690 15.890 ( -17.722 -13.992 7.386) 23.757 16.116 ( -10.257 -15.222 -7.341) 19.769 17.131 ( -1.335 3.934 2.966) 5.104 17.183 ( -1.632 9.127 -1.577) 9.405 17.429 ( 2.899 16.003 -0.433) 16.269 17.887 ( 1.428 12.755 -9.559) 16.003 ======================= Grid point 341 (178/205) ======================= q-point: (-0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -5.737 9.911 22.694) 25.419 2.189 ( -0.661 7.887 21.615) 23.018 2.818 ( -3.938 5.313 -17.372) 18.588 2.965 ( -6.857 -0.154 -11.053) 13.009 3.161 ( 1.775 0.486 6.142) 6.412 3.426 ( -1.253 5.164 -4.969) 7.276 3.918 ( -0.749 -0.283 4.076) 4.154 4.008 ( 3.752 2.741 11.068) 12.004 4.181 ( -6.044 -3.231 5.910) 9.050 4.601 ( -4.276 -0.990 -14.058) 14.727 5.019 ( 4.397 -5.122 2.270) 7.121 5.179 ( -0.067 -1.386 0.189) 1.401 5.990 ( 3.140 1.413 -5.417) 6.419 6.173 ( -5.039 8.622 -0.718) 10.013 6.490 ( 1.034 -0.582 -1.802) 2.158 6.818 ( -1.840 -10.579 -1.713) 10.873 7.678 ( 3.651 1.793 -0.251) 4.075 7.933 ( -6.755 4.622 -2.935) 8.695 8.026 ( 8.183 6.493 2.223) 10.680 8.527 ( 2.959 -1.135 12.988) 13.369 8.671 ( 12.577 1.224 3.411) 13.089 8.942 ( -8.203 4.306 4.942) 10.500 9.144 ( 2.583 14.499 -10.264) 17.951 9.774 ( 1.810 -0.285 3.676) 4.107 9.934 ( -21.238 -10.426 -7.396) 24.788 9.944 ( 1.927 -3.319 4.147) 5.650 10.357 ( 3.588 2.051 10.315) 11.112 10.558 ( 8.291 10.687 12.164) 18.191 10.857 ( -4.511 4.181 12.356) 13.803 10.947 ( -6.051 -0.471 20.850) 21.715 11.157 ( 1.300 0.402 -11.070) 11.153 11.441 ( -0.260 2.196 -25.631) 25.726 11.665 ( 8.776 -1.005 1.860) 9.027 12.136 ( -1.188 4.838 -3.285) 5.968 12.373 ( 12.157 -7.508 -4.994) 15.136 12.590 ( 2.633 0.930 0.673) 2.872 13.704 ( 8.561 -4.788 2.123) 10.036 14.131 ( 7.379 -1.729 -2.638) 8.025 14.187 ( 12.967 -11.984 5.585) 18.519 14.562 ( 6.938 -6.417 -2.501) 9.776 14.733 ( 1.888 -9.906 -0.329) 10.090 15.240 ( -7.346 -9.508 0.168) 12.016 15.577 ( -13.362 -12.101 4.194) 18.508 15.849 ( -14.110 -16.624 -4.633) 22.292 17.120 ( -1.116 4.487 2.705) 5.357 17.162 ( 0.301 9.187 -2.570) 9.544 17.501 ( 3.982 17.101 1.988) 17.671 17.826 ( -3.159 16.862 -9.068) 19.405 ======================= Grid point 342 (179/205) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 1.507 11.564 18.647) 21.993 2.516 ( 5.250 8.187 10.972) 14.662 2.789 ( -1.148 3.057 -9.695) 10.230 2.850 ( -1.303 1.065 -9.521) 9.668 3.313 ( 1.707 6.123 3.523) 7.268 3.467 ( -1.294 2.766 -9.973) 10.430 3.949 ( -2.427 -0.585 5.393) 5.943 4.033 ( 1.982 -2.602 -1.175) 3.475 4.148 ( -2.440 4.511 15.225) 16.066 4.484 ( 0.668 0.024 -15.068) 15.083 4.996 ( 2.821 -5.100 4.090) 7.120 5.080 ( -2.166 -3.877 -3.960) 5.950 6.101 ( 0.070 4.590 5.842) 7.430 6.260 ( 0.695 6.733 -8.591) 10.938 6.499 ( 3.265 -4.036 -1.174) 5.322 6.529 ( -3.637 -5.268 -3.699) 7.394 7.869 ( -0.996 6.069 1.082) 6.245 7.894 ( 0.808 5.995 -1.126) 6.153 8.310 ( 8.685 -3.527 8.435) 12.610 8.461 ( -6.635 -0.224 -5.670) 8.731 8.988 ( 0.360 5.484 10.507) 11.858 8.997 ( -0.887 -0.724 4.515) 4.658 9.219 ( -5.310 3.591 11.092) 12.811 9.597 ( -0.442 16.536 -15.145) 22.428 9.817 ( -2.246 -3.239 8.708) 9.559 9.988 ( 3.812 1.280 -2.356) 4.660 10.510 ( 0.448 2.287 14.417) 14.604 10.761 ( -0.524 3.838 -1.804) 4.273 10.811 ( -8.586 -0.412 23.847) 25.349 11.112 ( 1.005 6.351 -5.795) 8.656 11.188 ( 3.383 3.673 0.172) 4.997 11.489 ( 6.296 4.226 -18.302) 19.811 11.796 ( 8.714 -3.188 3.728) 10.000 12.004 ( -10.466 0.421 -13.431) 17.033 12.408 ( 7.168 -7.984 7.104) 12.868 12.579 ( -2.689 -3.524 -9.902) 10.849 13.812 ( 11.435 -4.917 7.482) 14.523 13.951 ( -12.256 -3.216 -6.552) 14.264 14.193 ( 9.890 -10.662 7.543) 16.383 14.307 ( -10.615 -11.626 -3.105) 16.047 14.726 ( -18.737 -9.124 3.595) 21.148 14.830 ( 22.626 -9.098 -5.611) 25.024 15.181 ( -12.199 -19.548 2.716) 23.202 15.244 ( 8.544 -17.016 -2.690) 19.230 17.310 ( -0.754 11.916 5.734) 13.245 17.408 ( 1.134 12.069 -3.320) 12.569 17.930 ( 2.391 15.319 3.041) 15.800 18.066 ( -3.124 14.591 -10.217) 18.085 ======================= Grid point 343 (180/205) ======================= q-point: ( 0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 4.189 8.532 10.507) 14.168 2.668 ( 8.125 6.572 -4.742) 11.476 2.769 ( 1.695 4.443 -3.891) 6.145 2.826 ( 3.793 3.992 -4.342) 7.012 3.320 ( -2.725 4.668 2.709) 6.046 3.422 ( 0.867 2.210 -6.811) 7.213 3.822 ( -6.985 0.246 2.455) 7.408 4.148 ( 3.469 -7.532 -2.070) 8.547 4.204 ( 2.428 2.885 17.727) 18.124 4.467 ( 3.531 1.874 -10.984) 11.689 4.974 ( -3.982 -4.133 -4.089) 7.047 5.092 ( 2.550 -2.722 2.178) 4.320 6.046 ( -4.459 6.852 0.191) 8.177 6.349 ( 8.022 5.248 -2.718) 9.964 6.442 ( -1.565 -3.823 -2.202) 4.681 6.604 ( 5.863 -4.842 -0.175) 7.606 7.741 ( -4.573 6.223 1.145) 7.807 8.059 ( 5.221 6.194 -1.478) 8.235 8.181 ( -9.373 -0.733 -4.205) 10.299 8.508 ( 1.914 -3.601 3.120) 5.135 8.749 ( -10.094 7.204 2.392) 12.630 9.092 ( -3.150 9.937 21.461) 23.859 9.378 ( 7.487 3.495 -5.760) 10.072 9.652 ( 12.223 3.334 -0.736) 12.691 9.807 ( -2.081 -3.548 7.867) 8.877 10.023 ( 1.897 4.082 -6.520) 7.923 10.469 ( -10.969 3.236 11.188) 15.999 10.667 ( -2.211 0.783 7.244) 7.614 10.894 ( -2.326 2.213 14.838) 15.181 11.089 ( -3.460 6.782 -0.979) 7.676 11.169 ( 1.674 5.850 -8.244) 10.246 11.528 ( 6.440 1.877 -21.747) 22.758 11.751 ( -6.126 -0.248 -3.913) 7.273 12.041 ( 8.882 -5.114 2.744) 10.610 12.374 ( -12.671 -4.752 -13.718) 19.269 12.504 ( 0.797 -6.832 4.581) 8.265 13.661 ( -12.987 -4.372 -5.223) 14.665 14.005 ( -16.020 -10.350 -1.849) 19.162 14.030 ( 3.299 -1.982 4.902) 6.232 14.284 ( -4.930 -5.386 8.481) 11.191 14.485 ( -4.651 -10.608 0.070) 11.583 15.046 ( -1.482 -17.247 2.170) 17.446 15.284 ( 24.737 -16.208 -5.277) 30.041 15.448 ( 11.669 -15.766 0.112) 19.615 17.326 ( 0.156 11.984 4.833) 12.923 17.412 ( 0.989 11.792 -4.395) 12.623 17.923 ( -5.496 15.269 -4.210) 16.766 17.983 ( -0.726 13.258 1.747) 13.392 ======================= Grid point 344 (181/205) ======================= q-point: ( 0.22 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 3.573 5.498 -5.838) 8.779 2.756 ( 4.580 5.600 -15.540) 17.141 2.827 ( 7.330 3.158 3.276) 8.628 2.990 ( 8.849 7.579 8.879) 14.649 3.258 ( -4.852 3.665 4.745) 7.713 3.408 ( 0.792 0.004 -8.177) 8.215 3.755 ( -1.682 -1.307 3.616) 4.197 4.158 ( -1.014 -10.221 -3.083) 10.724 4.324 ( 4.531 1.443 5.904) 7.581 4.526 ( 3.533 1.258 3.901) 5.412 4.876 ( -3.245 -1.212 -6.109) 7.022 5.131 ( 0.365 -1.220 1.433) 1.917 5.982 ( -1.615 6.506 -1.048) 6.785 6.423 ( 1.472 -0.737 0.698) 1.788 6.519 ( 7.898 5.343 -0.925) 9.580 6.707 ( 5.199 -4.740 -2.245) 7.385 7.716 ( 0.205 5.329 3.417) 6.334 7.924 ( -4.987 -0.862 -0.882) 5.137 8.226 ( 3.559 7.838 -4.160) 9.561 8.478 ( -2.431 0.270 4.670) 5.272 8.680 ( -1.526 9.897 2.277) 10.270 9.105 ( -3.849 13.766 18.052) 23.026 9.398 ( 1.233 5.617 -8.635) 10.375 9.764 ( -3.561 -4.282 -5.954) 8.153 9.829 ( -3.386 0.246 3.681) 5.007 10.139 ( 12.962 2.997 2.237) 13.491 10.286 ( -8.892 1.972 7.838) 12.017 10.700 ( -0.539 -1.878 14.327) 14.459 10.764 ( -9.592 3.999 -5.342) 11.685 10.923 ( -11.179 6.883 6.806) 14.787 11.327 ( 11.968 5.180 -1.738) 13.156 11.582 ( 7.330 -1.868 -14.512) 16.365 11.674 ( -2.238 -2.203 -3.242) 4.513 11.956 ( -16.747 -7.162 -13.070) 22.419 12.174 ( -0.859 0.128 -3.370) 3.480 12.530 ( 0.618 -7.813 3.183) 8.459 13.424 ( -9.749 -6.923 -3.335) 12.413 13.673 ( -15.436 -8.282 -4.046) 17.979 13.994 ( -5.984 -2.432 -0.459) 6.475 14.160 ( -10.199 -3.155 6.862) 12.691 14.540 ( 6.998 -8.295 5.422) 12.131 15.103 ( 4.487 -12.492 1.249) 13.332 15.642 ( 10.454 -18.622 3.060) 21.574 15.712 ( 18.834 -16.094 -7.378) 25.849 17.363 ( 1.995 10.892 2.884) 11.443 17.407 ( 0.628 10.936 -4.813) 11.964 17.779 ( -6.629 15.051 -3.520) 16.819 17.967 ( -3.076 10.390 5.047) 11.953 ======================= Grid point 345 (182/205) ======================= q-point: ( 0.33 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 6.686 4.216 -9.023) 11.995 2.791 ( 4.711 2.209 -7.035) 8.750 2.979 ( 5.035 2.709 1.072) 5.817 3.091 ( -3.255 7.439 2.934) 8.634 3.241 ( -0.320 1.900 10.415) 10.592 3.427 ( 8.077 -2.507 -7.541) 11.330 3.735 ( -2.897 -3.394 -0.421) 4.482 4.097 ( -3.389 -8.965 -3.163) 10.093 4.433 ( 5.568 2.873 -2.443) 6.725 4.607 ( 0.530 0.053 14.404) 14.414 4.824 ( 1.019 0.968 -5.262) 5.446 5.115 ( -2.167 0.811 -0.330) 2.337 5.984 ( 1.553 5.582 2.700) 6.392 6.440 ( -0.067 -0.420 -2.830) 2.861 6.663 ( 6.801 6.080 1.088) 9.187 6.788 ( 4.623 -0.545 -3.756) 5.981 7.761 ( 2.978 0.891 7.409) 8.035 7.961 ( 6.412 -1.464 2.258) 6.954 8.221 ( -0.727 6.652 -3.540) 7.570 8.480 ( -0.527 1.741 0.614) 1.920 8.658 ( -1.157 12.457 0.821) 12.537 9.127 ( -1.709 12.726 14.988) 19.736 9.324 ( -9.230 5.784 -4.809) 11.907 9.618 ( -1.136 8.766 -7.351) 11.497 9.755 ( -5.118 0.761 1.058) 5.281 10.108 ( -5.811 4.633 4.160) 8.517 10.355 ( -4.475 5.187 0.287) 6.856 10.652 ( -0.793 -0.412 -1.095) 1.414 10.726 ( -1.401 0.265 4.125) 4.365 10.797 ( -2.185 -4.676 17.463) 18.210 11.467 ( -0.128 1.154 -16.748) 16.788 11.539 ( -9.275 -2.544 10.960) 14.581 11.635 ( -0.313 -7.071 -4.327) 8.296 11.755 ( 7.220 -1.685 -9.077) 11.720 12.135 ( 0.886 4.107 -8.333) 9.332 12.528 ( -2.170 -8.651 -0.655) 8.943 13.254 ( -6.773 -10.312 -2.174) 12.527 13.385 ( -12.147 -8.826 -5.104) 15.859 13.897 ( -2.822 -2.811 -1.364) 4.210 13.999 ( -8.266 -1.174 4.572) 9.519 14.723 ( 8.245 -5.278 7.396) 12.269 15.170 ( 1.874 -7.597 -1.761) 8.021 15.813 ( 5.589 -17.210 6.614) 19.265 15.982 ( 12.297 -17.983 -9.315) 23.693 17.393 ( 0.520 9.585 -4.204) 10.480 17.420 ( 1.832 8.607 -0.630) 8.823 17.669 ( -2.740 13.792 0.191) 14.063 17.908 ( -5.030 8.682 4.127) 10.849 ======================= Grid point 346 (183/205) ======================= q-point: (-0.56 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 6.662 4.161 -3.367) 8.546 2.833 ( -3.997 0.136 1.867) 4.413 2.966 ( 2.236 4.111 -6.407) 7.934 3.039 ( -5.084 1.850 1.876) 5.726 3.289 ( 4.175 -2.707 6.134) 7.898 3.617 ( -6.182 -3.740 -8.175) 10.910 3.647 ( 11.701 -1.808 4.487) 12.662 3.984 ( -6.759 -7.006 -5.535) 11.199 4.517 ( 2.090 4.116 5.356) 7.071 4.660 ( 1.507 5.841 0.472) 6.051 4.870 ( 3.585 -1.526 3.229) 5.060 5.050 ( -3.712 2.727 -2.151) 5.084 6.066 ( 4.388 3.989 7.841) 9.831 6.386 ( -3.143 0.751 -7.451) 8.121 6.769 ( 3.099 5.709 1.565) 6.682 6.839 ( 2.043 2.159 -4.011) 4.993 7.901 ( 6.294 -1.964 9.798) 11.810 8.097 ( 5.129 -2.819 -1.789) 6.120 8.211 ( 2.209 6.034 -0.376) 6.437 8.423 ( -5.166 -0.210 -3.800) 6.417 8.673 ( 2.966 13.007 2.537) 13.580 8.950 ( -15.720 7.276 -3.980) 17.773 9.283 ( 4.796 10.848 9.599) 15.258 9.627 ( -5.360 2.960 -5.791) 8.428 9.697 ( 4.187 9.699 10.488) 14.886 10.060 ( -3.134 9.178 2.973) 10.144 10.188 ( -7.238 11.691 -0.571) 13.762 10.439 ( -10.872 8.766 -3.722) 14.454 10.840 ( -2.432 -10.520 17.384) 20.464 10.917 ( 10.359 -10.140 -1.570) 14.580 11.319 ( -9.466 -5.471 10.456) 15.128 11.416 ( -4.163 -7.099 -2.427) 8.580 11.670 ( 1.770 -0.070 -1.345) 2.224 11.880 ( 9.031 0.081 -15.410) 17.861 12.181 ( 6.699 3.972 -3.396) 8.496 12.438 ( -5.327 -5.369 -6.247) 9.810 13.141 ( -4.290 -12.052 -0.230) 12.795 13.193 ( -4.839 -12.053 -3.875) 13.554 13.880 ( 1.063 -3.033 -0.929) 3.346 13.892 ( -4.104 0.827 2.361) 4.807 14.906 ( 7.195 -4.306 7.043) 10.951 15.152 ( -2.194 -4.354 -4.946) 6.945 15.912 ( 1.111 -16.836 8.254) 18.783 16.102 ( 4.746 -17.514 -9.700) 20.576 17.383 ( -1.133 8.206 -0.841) 8.326 17.403 ( -1.348 8.578 -2.495) 9.035 17.716 ( 6.635 9.931 0.057) 11.944 17.819 ( -5.139 8.874 1.376) 10.347 ======================= Grid point 347 (184/205) ======================= q-point: (-0.44 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -13.390 3.883 5.451) 14.969 2.811 ( -5.938 6.292 7.297) 11.318 2.919 ( 1.072 -1.814 -5.997) 6.356 3.102 ( 9.017 -0.143 -3.832) 9.799 3.423 ( -0.385 -3.869 2.757) 4.766 3.455 ( -1.186 -2.277 -1.579) 3.014 3.742 ( -7.481 -3.321 -0.990) 8.244 3.935 ( 9.037 -4.485 -3.760) 10.767 4.495 ( -7.579 7.934 6.815) 12.916 4.701 ( 3.662 4.479 -4.678) 7.440 4.919 ( -2.459 -0.999 2.637) 3.742 5.014 ( 3.011 2.332 -0.516) 3.843 6.200 ( 4.661 1.614 9.572) 10.768 6.263 ( -4.945 1.774 -9.735) 11.063 6.786 ( -2.091 5.421 1.500) 6.001 6.823 ( -1.805 2.998 -4.228) 5.489 7.973 ( -3.605 0.701 3.504) 5.076 8.151 ( 4.003 -3.170 -8.572) 9.978 8.260 ( -7.670 2.087 -3.893) 8.851 8.308 ( 3.662 1.818 6.020) 7.277 8.706 ( -7.338 11.911 -1.007) 14.026 8.829 ( 11.618 7.139 6.553) 15.129 9.431 ( 0.235 5.944 5.016) 7.782 9.512 ( 2.765 3.821 -2.568) 5.370 9.779 ( -6.070 9.470 9.604) 14.790 9.983 ( -1.649 13.045 -2.653) 13.414 10.088 ( -3.530 12.034 13.799) 18.646 10.426 ( 10.441 9.802 -2.085) 14.472 10.827 ( -4.625 -12.755 7.803) 15.651 11.029 ( -0.318 -12.455 2.846) 12.780 11.191 ( -7.120 -2.813 11.735) 14.012 11.391 ( -1.594 -10.045 7.396) 12.576 11.702 ( 4.465 4.359 -5.572) 8.365 11.940 ( 5.644 0.166 -21.335) 22.069 12.278 ( -6.311 -0.253 -9.465) 11.379 12.340 ( 8.325 0.503 1.563) 8.485 13.116 ( 1.678 -14.222 2.954) 14.622 13.166 ( 2.947 -13.093 -1.622) 13.518 13.844 ( -1.282 1.187 2.066) 2.706 13.942 ( 5.449 -2.678 -2.051) 6.409 15.028 ( -2.058 -5.223 -0.365) 5.626 15.071 ( 1.342 -2.679 -1.662) 3.426 15.920 ( -4.352 -16.922 8.593) 19.472 16.088 ( -1.759 -17.486 -9.399) 19.930 17.329 ( -3.300 8.419 2.846) 9.480 17.402 ( 0.813 8.099 -0.866) 8.185 17.736 ( -2.794 11.122 -1.906) 11.625 17.873 ( 9.627 7.411 -3.940) 12.772 ======================= Grid point 348 (185/205) ======================= q-point: (-0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -11.483 6.976 9.943) 16.715 2.629 ( -12.690 5.633 7.825) 15.937 2.983 ( 3.139 0.198 0.482) 3.182 3.227 ( 2.902 -1.182 -2.321) 3.899 3.263 ( -6.573 0.148 -4.787) 8.133 3.473 ( -3.855 -0.446 -3.654) 5.330 3.712 ( 6.723 -3.967 2.511) 8.200 4.062 ( 3.513 -5.659 -1.777) 6.894 4.338 ( -9.992 10.651 6.387) 15.940 4.746 ( 2.815 1.146 -2.019) 3.649 4.855 ( -3.216 -1.131 -3.758) 5.073 5.087 ( 2.960 0.648 1.814) 3.532 6.119 ( -4.251 1.683 -9.686) 10.710 6.329 ( 3.608 -0.040 8.192) 8.951 6.706 ( -5.846 4.289 -2.311) 7.609 6.743 ( -4.714 3.489 -0.504) 5.886 7.872 ( -4.937 3.055 -3.312) 6.684 8.052 ( -6.841 -5.088 -6.133) 10.502 8.212 ( 0.546 5.180 -3.955) 6.540 8.365 ( -0.405 3.146 9.951) 10.444 8.654 ( 0.644 13.630 1.789) 13.762 9.156 ( 15.326 3.000 10.962) 19.080 9.326 ( -3.247 9.655 -5.193) 11.434 9.588 ( -10.570 5.840 -2.076) 12.253 9.721 ( 10.031 3.398 4.620) 11.555 9.953 ( -2.053 6.266 16.367) 17.645 10.266 ( 11.823 14.729 6.662) 20.028 10.618 ( -0.362 -4.222 4.650) 6.291 10.753 ( 0.312 -6.348 -0.431) 6.370 10.985 ( -4.691 -5.461 12.703) 14.601 11.180 ( 3.418 -1.711 3.758) 5.360 11.358 ( -6.643 -6.397 12.139) 15.245 11.785 ( 4.979 2.989 -12.723) 13.986 11.936 ( 3.624 -2.249 -16.617) 17.155 12.127 ( -2.063 3.137 -8.784) 9.552 12.503 ( 6.508 -1.269 1.300) 6.757 13.217 ( 6.665 -13.965 2.591) 15.689 13.293 ( 10.054 -12.862 2.906) 16.582 13.866 ( 2.987 1.543 1.696) 3.765 14.071 ( 8.932 -3.549 -2.536) 9.940 14.876 ( -8.022 -3.597 -7.614) 11.631 15.135 ( 1.318 -6.571 1.784) 6.935 15.811 ( -10.862 -16.953 7.841) 21.607 15.958 ( -7.667 -18.736 -8.006) 21.770 17.296 ( -1.896 9.171 4.794) 10.521 17.409 ( -0.223 8.603 0.651) 8.631 17.711 ( 1.725 14.061 -3.682) 14.638 18.029 ( 8.768 7.473 -7.767) 13.894 ======================= Grid point 349 (186/205) ======================= q-point: (-0.22 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -5.234 10.235 14.356) 18.392 2.441 ( -10.971 9.632 14.488) 20.568 2.974 ( -3.271 -3.613 -5.507) 7.354 3.143 ( -8.957 -2.100 -1.971) 9.408 3.189 ( 1.170 8.385 0.970) 8.521 3.471 ( 4.820 1.303 -7.859) 9.311 3.846 ( 4.837 -3.677 -2.675) 6.638 4.070 ( -1.083 -5.751 4.023) 7.102 4.210 ( -6.651 10.528 8.463) 15.056 4.726 ( -4.673 -1.666 -8.233) 9.612 4.832 ( 3.686 -2.231 -0.553) 4.343 5.131 ( 0.882 -1.370 1.016) 1.920 6.032 ( -0.849 2.298 -6.256) 6.719 6.396 ( -0.041 0.964 4.337) 4.443 6.566 ( -5.875 2.829 -6.111) 8.937 6.667 ( -3.247 -0.880 2.207) 4.024 7.780 ( -3.251 4.793 -2.955) 6.502 7.950 ( 0.332 -2.231 -2.780) 3.579 8.180 ( -2.979 6.077 -1.240) 6.881 8.429 ( 2.440 3.341 11.316) 12.049 8.696 ( 2.706 12.077 0.682) 12.395 9.177 ( -6.979 7.490 3.299) 10.756 9.413 ( -4.772 6.169 0.114) 7.800 9.555 ( 14.191 1.161 6.223) 15.539 9.861 ( 2.718 5.339 3.950) 7.176 10.053 ( 2.209 1.616 9.593) 9.976 10.381 ( -10.023 -6.600 -5.143) 13.056 10.546 ( 7.233 8.279 11.694) 16.050 10.828 ( 2.788 -4.449 5.442) 7.562 10.987 ( -1.858 2.235 15.278) 15.552 11.240 ( -7.951 -5.028 4.153) 10.284 11.398 ( 13.970 6.531 -1.326) 15.478 11.699 ( -5.311 1.310 -9.887) 11.299 11.964 ( 6.759 -9.396 -10.964) 15.943 12.193 ( 8.341 3.535 -5.059) 10.375 12.579 ( 1.717 -0.768 -1.756) 2.573 13.374 ( 8.512 -11.280 1.882) 14.256 13.559 ( 14.835 -13.070 6.434) 20.792 13.979 ( 7.894 0.997 1.024) 8.022 14.253 ( 10.559 -5.038 -2.666) 11.999 14.679 ( -8.349 -4.991 -7.770) 12.449 15.122 ( -2.895 -9.587 -0.419) 10.023 15.571 ( -16.841 -16.672 5.549) 24.338 15.731 ( -12.693 -19.947 -4.860) 24.137 17.293 ( -1.029 10.253 5.790) 11.820 17.402 ( -0.252 10.300 -0.378) 10.310 17.764 ( 4.661 15.812 -2.255) 16.638 18.127 ( 5.387 9.434 -10.598) 15.177 ======================= Grid point 350 (187/205) ======================= q-point: (-0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -4.141 11.656 18.464) 22.225 2.395 ( -0.009 11.344 16.291) 19.851 2.875 ( -2.835 -1.252 -9.481) 9.974 2.961 ( -6.959 -0.137 -5.772) 9.042 3.250 ( 2.923 8.212 3.495) 9.392 3.509 ( 2.050 2.207 -8.817) 9.317 3.882 ( 2.824 -2.548 -3.478) 5.154 4.083 ( -1.849 -5.464 6.199) 8.467 4.149 ( -4.169 9.261 11.443) 15.300 4.581 ( -4.177 -0.742 -13.356) 14.013 4.913 ( 3.866 -4.577 2.508) 6.495 5.128 ( -1.122 -3.342 -1.328) 3.767 6.037 ( 2.899 2.954 -0.872) 4.230 6.353 ( -5.085 7.265 -0.732) 8.898 6.471 ( -0.263 -1.650 -5.382) 5.635 6.618 ( -3.132 -6.705 -1.087) 7.480 7.758 ( 2.821 4.996 -0.477) 5.757 8.046 ( 1.817 4.100 -0.781) 4.553 8.083 ( 0.052 1.703 4.099) 4.439 8.526 ( 1.667 0.365 5.386) 5.650 8.781 ( 7.278 9.666 -0.165) 12.101 9.064 ( -8.172 6.255 17.187) 20.032 9.358 ( -2.319 2.662 -4.942) 6.074 9.764 ( 3.236 -3.762 1.115) 5.086 9.836 ( -14.143 6.336 -2.383) 15.679 9.928 ( 0.567 3.228 0.987) 3.423 10.385 ( 5.724 1.865 9.331) 11.104 10.692 ( 0.361 1.106 16.911) 16.951 10.948 ( 1.102 1.515 -0.343) 1.905 11.019 ( 0.532 7.207 21.852) 23.016 11.128 ( -0.355 -0.152 -6.277) 6.289 11.496 ( 3.141 3.035 -24.835) 25.216 11.666 ( 3.339 0.885 4.099) 5.360 12.142 ( 10.249 -14.946 0.278) 18.125 12.246 ( -0.081 5.021 -6.996) 8.611 12.596 ( 2.354 -0.815 -4.460) 5.109 13.567 ( 10.435 -7.784 4.247) 13.694 13.895 ( 15.962 -13.980 7.669) 22.562 14.111 ( 1.831 -0.419 -3.074) 3.602 14.391 ( 2.512 -7.672 -1.433) 8.199 14.567 ( 4.621 -6.478 -7.464) 10.910 15.024 ( -9.261 -10.123 3.169) 14.082 15.259 ( -12.556 -18.067 -1.582) 22.059 15.448 ( -14.930 -19.560 -0.293) 24.608 17.301 ( -0.917 11.240 6.052) 12.799 17.401 ( 0.678 11.630 -1.969) 11.815 17.853 ( 4.567 16.273 0.338) 16.905 18.139 ( 0.804 12.274 -11.458) 16.810 ======================= Grid point 351 (188/205) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.959 8.628 12.302) 15.056 2.682 ( 2.954 7.650 6.100) 10.220 2.789 ( 0.913 -2.204 0.038) 2.386 2.870 ( -0.812 0.368 -2.085) 2.268 3.421 ( 0.226 3.465 -4.624) 5.782 3.477 ( -1.749 -0.791 -8.460) 8.675 3.928 ( 1.301 -0.872 2.708) 3.128 3.972 ( 0.753 -2.800 -0.950) 3.051 4.304 ( -3.493 8.538 9.074) 12.939 4.490 ( -0.108 0.038 -8.180) 8.180 4.908 ( 2.367 -2.715 1.417) 3.871 4.994 ( -0.309 -4.415 -6.493) 7.858 6.194 ( 1.956 4.594 7.317) 8.859 6.369 ( -0.990 1.417 0.422) 1.779 6.402 ( 0.111 -1.860 -7.748) 7.969 6.482 ( 0.040 -1.242 -5.837) 5.968 7.981 ( 7.622 4.739 4.232) 9.923 8.044 ( -8.167 8.486 -1.045) 11.824 8.203 ( 5.821 -6.083 10.041) 13.104 8.392 ( -5.752 -6.605 -6.879) 11.137 9.039 ( -5.918 5.460 8.875) 11.983 9.165 ( 2.584 12.171 0.366) 12.448 9.277 ( -0.646 -0.198 20.694) 20.705 9.667 ( -0.459 -7.212 -8.242) 10.961 9.921 ( -3.996 9.130 1.498) 10.078 10.041 ( 1.276 2.519 -3.219) 4.282 10.600 ( -2.394 7.091 11.904) 14.061 10.782 ( 1.079 -1.458 26.128) 26.191 10.853 ( 1.699 4.796 -9.925) 11.153 11.162 ( -3.171 -1.468 -10.419) 10.989 11.307 ( 2.103 6.862 11.251) 13.345 11.549 ( 5.526 1.594 -10.144) 11.661 11.720 ( 4.390 -3.994 4.623) 7.523 11.910 ( -0.559 -9.221 -7.426) 11.853 12.318 ( -0.573 0.193 -1.248) 1.386 12.481 ( -2.593 -5.695 -13.770) 15.125 13.747 ( 12.690 -0.377 9.684) 15.967 13.915 ( -7.910 -0.816 -5.805) 9.846 13.999 ( 8.823 -7.388 6.584) 13.258 14.122 ( -11.822 -6.767 -4.703) 14.411 14.596 ( -15.998 -3.340 2.901) 16.598 14.662 ( 10.342 -6.239 -1.956) 12.236 14.859 ( -5.660 -11.176 -0.504) 12.538 14.926 ( 10.097 -12.844 -5.344) 17.189 17.532 ( -0.603 8.716 6.232) 10.732 17.600 ( 0.502 5.976 0.344) 6.007 18.191 ( 1.333 9.766 -1.188) 9.928 18.279 ( -1.309 6.121 -9.476) 11.357 ======================= Grid point 352 (189/205) ======================= q-point: ( 0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 1.640 6.056 5.724) 8.493 2.771 ( 5.080 1.974 -4.743) 7.225 2.867 ( 4.569 4.218 -0.150) 6.220 2.877 ( 4.872 2.707 0.820) 5.634 3.389 ( -2.161 1.667 0.113) 2.731 3.427 ( -0.959 -1.007 -4.037) 4.270 3.853 ( -5.188 2.197 -2.008) 5.981 4.005 ( -0.145 -6.060 -1.574) 6.263 4.299 ( -0.512 6.097 9.765) 11.523 4.486 ( 1.452 -0.709 -2.174) 2.708 4.913 ( -0.128 -1.023 -5.022) 5.127 5.024 ( 4.097 -3.852 -2.093) 6.000 6.175 ( -3.683 5.589 -0.427) 6.707 6.360 ( -1.627 -3.844 -0.723) 4.237 6.447 ( 8.624 3.863 -1.423) 9.556 6.543 ( 6.200 -1.623 -2.395) 6.842 7.889 ( -5.139 7.121 -0.951) 8.833 8.083 ( -10.995 -3.250 -2.732) 11.787 8.208 ( 9.413 4.337 4.988) 11.502 8.434 ( 3.765 -4.580 4.256) 7.298 8.981 ( -2.673 13.381 6.642) 15.176 9.229 ( 1.538 6.607 10.542) 12.536 9.400 ( 3.952 -1.284 8.661) 9.606 9.609 ( -0.782 -7.728 -8.203) 11.297 9.882 ( -1.886 7.315 7.989) 10.995 10.055 ( 1.660 -1.710 -0.517) 2.438 10.565 ( -7.228 6.929 13.722) 16.987 10.776 ( -2.380 10.471 -5.925) 12.264 10.906 ( -2.604 -2.220 8.582) 9.239 11.153 ( 7.810 -2.061 -3.689) 8.880 11.294 ( -5.850 7.738 2.403) 9.994 11.582 ( 2.897 1.575 -13.991) 14.374 11.743 ( -6.227 -0.749 -5.686) 8.466 11.874 ( 4.123 -9.425 -3.227) 10.781 12.250 ( -8.366 -5.216 -3.359) 10.415 12.366 ( -2.976 -6.856 0.635) 7.501 13.612 ( -13.523 0.118 -8.250) 15.841 13.799 ( -14.438 -8.340 -6.240) 17.803 14.037 ( 6.611 2.211 8.119) 10.701 14.187 ( -3.415 -4.250 9.198) 10.692 14.382 ( -2.919 -0.351 0.024) 2.940 14.674 ( 2.007 -16.242 6.084) 17.460 15.041 ( 17.323 -7.743 -6.961) 20.212 15.155 ( 13.633 -11.949 -3.271) 18.421 17.545 ( -0.511 8.477 5.030) 9.870 17.603 ( 0.014 6.124 -1.216) 6.243 18.165 ( -4.435 8.292 -3.109) 9.904 18.194 ( -2.927 6.963 -2.874) 8.082 ======================= Grid point 353 (190/205) ======================= q-point: ( 0.22 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 2.492 5.482 -3.048) 6.750 2.843 ( 2.895 0.167 -2.204) 3.643 2.901 ( 5.847 5.991 -11.400) 14.143 3.079 ( 10.238 1.179 5.322) 11.599 3.322 ( -6.558 1.802 5.389) 8.678 3.405 ( -0.272 -0.122 -1.021) 1.064 3.754 ( -3.949 1.651 -3.482) 5.517 3.966 ( -1.927 -8.155 -2.976) 8.892 4.374 ( 4.230 3.099 7.431) 9.095 4.513 ( 0.752 -2.423 6.121) 6.626 4.897 ( 1.076 3.336 -6.340) 7.245 5.081 ( 2.316 -3.558 -1.725) 4.582 6.117 ( -1.011 6.426 -3.171) 7.237 6.352 ( 1.301 -4.964 -1.876) 5.464 6.621 ( 8.373 3.694 1.313) 9.246 6.665 ( 6.901 -0.176 -0.546) 6.925 7.829 ( -2.701 4.583 1.903) 5.650 7.907 ( -3.550 -0.611 -1.087) 3.763 8.373 ( 4.157 5.809 0.133) 7.145 8.474 ( -0.357 0.171 7.102) 7.113 8.972 ( -0.982 15.939 2.667) 16.191 9.306 ( -0.206 6.927 15.536) 17.011 9.450 ( 1.775 0.204 -8.683) 8.865 9.584 ( 0.082 -11.347 -1.896) 11.505 9.924 ( 1.091 6.363 12.218) 13.819 10.137 ( 5.751 -4.948 6.944) 10.285 10.426 ( -12.009 10.111 7.951) 17.597 10.713 ( -0.907 8.577 -6.847) 11.012 10.807 ( -6.371 -2.344 -2.244) 7.150 11.121 ( -11.756 10.726 -0.107) 15.914 11.351 ( 9.857 -4.450 2.501) 11.100 11.590 ( 5.979 1.722 -12.155) 13.655 11.607 ( -8.174 -4.422 1.964) 9.499 11.772 ( -9.687 -7.968 -19.112) 22.860 12.137 ( -0.793 -2.447 2.364) 3.494 12.333 ( -3.306 -10.624 7.691) 13.526 13.328 ( -11.872 -1.481 -8.803) 14.854 13.493 ( -13.751 -7.931 -8.757) 18.129 13.997 ( -7.626 1.557 3.876) 8.695 14.097 ( -8.351 -3.370 7.049) 11.436 14.494 ( 10.168 3.714 5.956) 12.355 14.865 ( 11.279 -10.344 3.843) 15.779 15.297 ( 10.997 -12.296 -2.411) 16.671 15.413 ( 14.636 -13.060 -5.716) 20.432 17.558 ( -0.032 7.306 3.075) 7.926 17.589 ( -0.610 6.111 -2.462) 6.617 18.032 ( -6.620 9.270 -3.500) 11.917 18.125 ( -4.698 4.674 1.818) 6.872 ======================= Grid point 354 (191/205) ======================= q-point: ( 0.33 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 5.179 5.803 -6.050) 9.854 2.856 ( 1.529 3.332 -6.116) 7.131 3.002 ( 6.076 -0.006 -1.182) 6.190 3.158 ( -6.567 -1.486 0.530) 6.753 3.323 ( 3.519 3.758 10.338) 11.549 3.375 ( 1.534 -0.371 -6.752) 6.934 3.663 ( -4.078 -1.793 -2.957) 5.347 3.911 ( -2.772 -9.156 -3.655) 10.241 4.500 ( 5.621 3.391 4.221) 7.805 4.606 ( 4.927 -0.679 14.054) 14.908 4.891 ( 0.807 5.322 -5.515) 7.706 5.096 ( 0.237 -2.685 -2.619) 3.758 6.116 ( 1.749 7.004 -0.754) 7.258 6.377 ( 2.025 -4.924 -4.115) 6.729 6.759 ( 5.593 3.012 0.893) 6.415 6.793 ( 5.713 0.551 0.375) 5.752 7.803 ( -0.145 3.048 5.999) 6.730 7.933 ( 3.868 -2.032 0.675) 4.421 8.369 ( -1.987 6.919 -0.931) 7.259 8.497 ( -1.191 0.289 2.411) 2.705 8.960 ( -1.073 14.769 0.994) 14.841 9.321 ( -6.926 5.125 4.031) 9.513 9.388 ( -1.383 2.179 -1.348) 2.912 9.638 ( 5.564 -3.210 0.037) 6.423 9.975 ( -1.621 14.581 5.723) 15.748 10.219 ( -4.236 2.430 9.696) 10.856 10.333 ( 3.173 -2.234 11.472) 12.110 10.670 ( -2.778 -1.337 0.573) 3.136 10.720 ( 0.598 3.970 -10.064) 10.835 10.882 ( -12.355 10.161 2.641) 16.213 11.373 ( -11.329 -10.172 -12.068) 19.429 11.435 ( -8.105 -8.716 -2.672) 12.198 11.584 ( 2.625 3.007 2.751) 4.848 11.723 ( 8.378 -1.590 -2.748) 8.959 12.155 ( 2.196 -1.762 -3.981) 4.876 12.300 ( -2.997 -11.653 4.517) 12.852 13.092 ( -8.520 -4.155 -7.944) 12.367 13.205 ( -11.666 -7.008 -8.847) 16.231 13.898 ( -3.917 1.415 2.961) 5.110 13.976 ( -5.921 -1.903 3.517) 7.145 14.719 ( 9.182 5.440 7.947) 13.307 15.057 ( 7.122 -3.457 -0.519) 7.934 15.459 ( 6.071 -14.858 2.594) 16.259 15.630 ( 10.409 -16.020 -7.969) 20.700 17.559 ( -0.970 5.935 -1.617) 6.227 17.568 ( -0.346 5.323 -0.363) 5.346 17.911 ( -4.046 9.385 -0.841) 10.255 18.036 ( -5.082 3.435 1.691) 6.363 ======================= Grid point 355 (192/205) ======================= q-point: (-0.56 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 6.506 3.722 -4.957) 8.986 2.845 ( -2.502 1.362 -1.113) 3.058 3.012 ( -6.083 1.216 3.222) 6.990 3.100 ( 1.313 1.495 0.434) 2.037 3.279 ( -1.177 2.613 0.419) 2.896 3.498 ( 2.143 -6.952 -7.369) 10.355 3.606 ( 2.677 -0.866 3.216) 4.273 3.815 ( -4.839 -8.959 -4.671) 11.203 4.629 ( 4.203 6.076 7.897) 10.815 4.771 ( 4.796 2.443 8.824) 10.336 4.881 ( 0.817 3.765 -3.205) 5.012 5.069 ( -1.088 -1.255 -5.083) 5.348 6.171 ( 3.066 6.080 3.347) 7.587 6.371 ( -0.729 -2.212 -6.573) 6.973 6.843 ( 2.501 1.623 0.881) 3.108 6.865 ( 1.571 0.320 -0.225) 1.619 7.878 ( 3.745 0.370 8.211) 9.032 8.015 ( 3.993 -4.814 -0.966) 6.328 8.336 ( -0.292 5.354 -0.762) 5.416 8.434 ( -5.035 0.401 -1.695) 5.328 8.944 ( -0.949 12.026 1.826) 12.201 9.109 ( -9.796 6.268 -6.281) 13.218 9.441 ( 3.073 6.863 8.678) 11.483 9.668 ( -3.920 1.267 -0.444) 4.144 10.023 ( 7.643 18.580 4.605) 20.612 10.244 ( -2.330 6.062 14.088) 15.513 10.407 ( 0.127 3.233 8.083) 8.706 10.551 ( -11.360 5.133 2.786) 12.774 10.677 ( -3.842 -1.890 3.446) 5.497 10.792 ( 4.308 -0.315 -6.966) 8.197 11.165 ( -4.166 -10.105 -5.807) 12.377 11.220 ( -11.932 -11.139 3.577) 16.711 11.688 ( 4.887 2.055 2.497) 5.860 11.863 ( 7.705 -2.320 -6.597) 10.406 12.191 ( 4.090 -3.306 -6.617) 8.453 12.254 ( -2.564 -10.309 -0.942) 10.665 12.946 ( -3.204 -6.064 -5.029) 8.504 12.989 ( -7.047 -5.584 -5.883) 10.745 13.871 ( -0.309 0.719 2.241) 2.374 13.907 ( -2.053 -0.207 0.709) 2.182 14.901 ( 5.836 4.898 7.906) 10.980 15.125 ( 1.424 2.122 -5.619) 6.173 15.554 ( 1.567 -16.573 6.375) 17.826 15.733 ( 4.166 -17.811 -9.119) 20.439 17.528 ( -2.067 5.472 0.524) 5.873 17.546 ( -1.088 4.896 -1.407) 5.209 17.895 ( 2.715 6.970 -0.610) 7.505 17.957 ( -3.064 4.238 -0.408) 5.245 ======================= Grid point 356 (193/205) ======================= q-point: (-0.44 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -8.967 4.557 3.788) 10.748 2.864 ( -4.281 -1.951 -1.453) 4.923 2.966 ( 0.761 6.630 6.046) 9.005 3.108 ( 1.783 0.551 -2.671) 3.258 3.347 ( 4.376 -2.825 6.230) 8.121 3.406 ( -3.722 -2.877 -8.812) 9.989 3.664 ( -3.005 -3.142 -0.369) 4.363 3.793 ( 7.138 -7.965 -3.357) 11.210 4.662 ( -4.961 7.809 5.825) 10.933 4.825 ( 1.142 5.642 -2.373) 6.226 4.900 ( -1.427 -0.028 2.536) 2.910 5.051 ( 3.001 0.050 -5.669) 6.414 6.239 ( 0.806 2.494 4.555) 5.255 6.294 ( -2.951 0.928 -6.661) 7.344 6.850 ( -2.377 0.942 0.282) 2.573 6.860 ( -1.622 0.619 -0.023) 1.736 7.954 ( -0.254 -1.356 4.303) 4.519 8.032 ( -1.566 -5.552 -5.770) 8.159 8.349 ( -0.943 4.161 -1.974) 4.701 8.378 ( 3.897 3.143 2.337) 5.525 8.948 ( -3.651 9.807 1.892) 10.634 8.979 ( 2.347 6.949 5.236) 9.012 9.564 ( 1.941 5.548 5.158) 7.820 9.569 ( -0.965 3.588 0.951) 3.836 10.082 ( -9.707 17.804 2.774) 20.467 10.297 ( 6.748 14.639 -1.028) 16.152 10.317 ( -8.715 10.134 21.354) 25.192 10.507 ( 0.219 -2.871 8.958) 9.410 10.624 ( -1.917 -6.702 1.675) 7.169 10.851 ( 3.632 -2.455 -4.809) 6.508 11.044 ( -5.778 -11.760 4.145) 13.742 11.168 ( 1.349 -11.004 8.318) 13.859 11.791 ( 6.094 4.561 -3.585) 8.414 11.933 ( 3.990 -0.716 -16.305) 16.802 12.193 ( -1.800 -7.038 -4.585) 8.590 12.274 ( 6.809 -7.225 -4.556) 10.923 12.895 ( -0.666 -5.656 -0.453) 5.713 12.937 ( 3.416 -7.235 -0.267) 8.006 13.882 ( 0.726 1.569 0.866) 1.933 13.923 ( 3.736 -0.362 -0.661) 3.812 14.992 ( -0.700 3.013 4.672) 5.603 15.084 ( -1.184 4.528 -7.455) 8.802 15.564 ( -3.865 -16.728 7.481) 18.727 15.711 ( -2.300 -18.454 -8.924) 20.627 17.487 ( -2.429 6.320 3.260) 7.515 17.535 ( 0.000 4.365 0.545) 4.399 17.925 ( 0.790 6.950 -3.226) 7.702 17.991 ( 7.483 3.664 -3.631) 9.089 ======================= Grid point 357 (194/205) ======================= q-point: (-0.33 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -7.172 8.864 6.929) 13.342 2.738 ( -7.607 4.267 4.926) 10.017 2.979 ( -3.438 -0.819 3.053) 4.671 3.118 ( -2.078 -6.371 3.340) 7.487 3.327 ( 0.729 3.578 -4.625) 5.893 3.458 ( 3.904 -1.127 -0.334) 4.077 3.648 ( 3.518 -0.887 -0.617) 3.680 3.902 ( 4.235 -9.312 -3.274) 10.740 4.536 ( -8.113 8.359 1.543) 11.750 4.773 ( -5.150 -1.727 -0.917) 5.509 4.884 ( 0.600 5.929 -4.613) 7.536 5.092 ( 1.994 -1.121 -3.196) 3.930 6.164 ( -4.091 2.938 -5.298) 7.310 6.296 ( 0.470 -2.443 3.720) 4.476 6.770 ( -5.565 1.769 -0.700) 5.881 6.795 ( -5.083 1.250 0.611) 5.270 7.907 ( -3.239 0.690 -2.453) 4.121 7.959 ( -2.814 -3.232 -3.665) 5.639 8.352 ( -0.177 6.929 0.224) 6.935 8.447 ( 1.274 3.391 5.323) 6.439 8.920 ( -0.310 11.087 5.004) 12.168 9.157 ( 9.482 -2.021 11.156) 14.780 9.499 ( -0.926 7.524 -3.299) 8.268 9.616 ( -6.907 -1.031 3.557) 7.837 9.989 ( 4.510 19.108 1.743) 19.711 10.175 ( -8.008 13.668 16.827) 23.111 10.441 ( -7.337 -5.595 -1.584) 9.362 10.525 ( 7.413 7.031 7.644) 12.760 10.625 ( -1.370 -9.766 7.119) 12.162 10.893 ( 2.456 -4.931 5.917) 8.084 11.095 ( 7.009 -5.684 5.257) 10.443 11.246 ( 2.330 -4.728 13.381) 14.382 11.846 ( 1.392 2.870 -14.300) 14.652 11.886 ( -0.332 -1.201 -18.175) 18.218 12.159 ( 2.345 0.202 -4.428) 5.015 12.405 ( 8.242 -8.390 -5.860) 13.141 12.970 ( 7.128 -7.097 4.104) 10.864 13.073 ( 9.577 -8.112 4.216) 13.240 13.926 ( 3.970 3.177 -0.150) 5.088 14.025 ( 7.166 -1.714 -1.345) 7.490 14.878 ( -8.533 4.468 -6.631) 11.694 15.053 ( -2.143 -0.220 -1.133) 2.433 15.462 ( -9.907 -16.125 5.658) 19.753 15.575 ( -8.090 -17.671 -5.895) 20.309 17.474 ( -0.980 7.247 5.277) 9.018 17.545 ( 0.222 4.185 2.355) 4.807 17.961 ( 4.701 9.914 -5.045) 12.076 18.129 ( 8.813 2.017 -7.105) 11.499 ======================= Grid point 358 (195/205) ======================= q-point: (-0.22 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -3.649 9.793 9.270) 13.970 2.645 ( -5.420 9.576 11.225) 15.718 2.884 ( -5.450 -4.929 -0.554) 7.369 3.045 ( -6.578 -6.324 3.971) 9.952 3.376 ( 3.856 8.108 0.051) 8.979 3.505 ( 3.535 1.986 -7.625) 8.636 3.764 ( 6.390 -3.445 0.200) 7.262 3.923 ( 0.226 -7.802 -1.985) 8.054 4.407 ( -5.748 7.841 2.283) 9.987 4.665 ( -4.410 -4.436 -4.604) 7.767 4.868 ( -0.148 5.506 -3.693) 6.632 5.090 ( -0.621 -3.011 -3.209) 4.444 6.095 ( -0.987 4.073 -2.166) 4.718 6.317 ( 0.566 -5.782 2.021) 6.151 6.644 ( -6.621 3.045 -1.650) 7.472 6.683 ( -6.124 1.166 -0.900) 6.299 7.855 ( -1.787 2.501 -0.822) 3.181 7.913 ( 0.951 -1.303 -1.641) 2.301 8.323 ( -3.958 7.211 4.008) 9.150 8.492 ( 0.715 1.327 6.372) 6.548 8.962 ( 2.076 12.978 4.559) 13.911 9.272 ( -4.577 1.995 6.949) 8.556 9.444 ( -7.758 -1.867 4.046) 8.947 9.556 ( 6.920 -0.952 -1.718) 7.193 10.031 ( -3.264 9.004 3.435) 10.174 10.249 ( -9.733 1.077 -5.396) 11.181 10.305 ( 12.257 17.236 12.967) 24.809 10.607 ( -2.445 -4.619 16.422) 17.233 10.684 ( 5.633 -8.477 1.333) 10.265 11.041 ( 6.451 0.297 12.925) 14.448 11.186 ( 0.202 0.988 7.536) 7.603 11.455 ( 12.257 -5.774 11.261) 17.618 11.703 ( -6.674 0.829 -17.436) 18.688 11.799 ( -0.709 -2.850 -13.779) 14.088 12.251 ( 7.976 2.614 -8.313) 11.813 12.511 ( 5.710 -6.425 -9.201) 12.592 13.176 ( 11.367 -5.619 6.051) 14.050 13.327 ( 13.586 -9.310 7.579) 18.130 14.036 ( 7.357 3.742 -0.396) 8.264 14.179 ( 8.912 -2.910 -1.677) 9.524 14.653 ( -10.492 3.181 -8.975) 14.169 14.958 ( -6.334 -5.960 -4.478) 9.782 15.236 ( -15.191 -14.217 3.286) 21.064 15.361 ( -12.310 -15.379 -1.024) 19.725 17.489 ( -0.269 7.915 6.453) 10.215 17.562 ( 0.478 4.854 2.539) 5.499 18.049 ( 6.250 11.479 -4.973) 13.984 18.249 ( 7.114 2.279 -9.711) 12.252 ======================= Grid point 359 (196/205) ======================= q-point: (-0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -1.558 9.359 12.609) 15.780 2.629 ( -1.507 10.975 11.540) 15.997 2.804 ( -2.119 -4.854 -1.430) 5.486 2.933 ( -5.432 -3.055 1.310) 6.368 3.425 ( 1.481 7.155 -3.150) 7.957 3.528 ( 1.648 0.163 -9.084) 9.234 3.841 ( 3.830 -0.932 -2.108) 4.470 3.957 ( 2.076 -6.009 3.479) 7.248 4.336 ( -3.408 7.824 4.869) 9.825 4.563 ( -3.339 -2.014 -7.538) 8.487 4.865 ( 1.205 0.897 -0.692) 1.654 5.047 ( -1.896 -4.560 -4.276) 6.532 6.113 ( 2.652 4.528 2.334) 5.743 6.343 ( 1.504 -5.720 1.632) 6.135 6.506 ( -6.028 3.711 -5.224) 8.798 6.565 ( -4.873 -0.238 -3.694) 6.120 7.855 ( 2.702 4.257 1.904) 5.390 8.008 ( 7.820 -3.542 4.148) 9.535 8.220 ( -8.411 7.939 2.550) 11.844 8.504 ( -2.496 -3.487 1.754) 4.633 9.029 ( 2.475 12.041 4.830) 13.207 9.177 ( -5.797 6.924 9.794) 13.322 9.319 ( -7.969 -3.598 5.342) 10.246 9.664 ( 3.611 -7.613 -2.044) 8.670 9.991 ( -1.138 7.598 -3.756) 8.552 10.069 ( -5.754 6.754 -1.192) 8.953 10.541 ( 4.756 13.702 9.853) 17.534 10.658 ( 0.007 -3.086 20.356) 20.588 10.816 ( 6.025 -8.237 0.267) 10.209 11.171 ( 2.513 5.227 16.001) 17.020 11.241 ( 1.253 6.442 -1.704) 6.780 11.525 ( -1.412 -2.845 -11.791) 12.212 11.669 ( 2.201 -0.830 1.200) 2.641 11.817 ( 8.759 -12.737 -1.403) 15.522 12.329 ( 3.807 3.495 -11.590) 12.690 12.539 ( 1.926 -4.946 -11.374) 12.551 13.445 ( 13.365 -2.583 7.893) 15.735 13.646 ( 15.646 -10.239 8.644) 20.600 14.137 ( -1.287 3.003 -2.635) 4.197 14.286 ( -0.611 -3.291 -0.821) 3.447 14.485 ( 2.606 -0.471 -9.268) 9.639 14.825 ( -1.505 -11.923 -7.004) 13.909 14.927 ( -17.818 -9.414 2.893) 20.359 15.105 ( -14.078 -13.624 1.441) 19.644 17.513 ( -0.374 8.427 6.734) 10.793 17.583 ( 0.668 5.583 1.701) 5.875 18.140 ( 4.797 11.332 -3.489) 12.790 18.306 ( 3.207 3.956 -10.549) 11.714 ======================= Grid point 360 (197/205) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 0.846 -4.666 3.361) 5.812 2.701 ( 0.846 4.666 3.361) 5.812 2.831 ( 1.246 -4.386 6.133) 7.642 2.831 ( 1.246 4.386 6.133) 7.642 3.459 ( -1.341 -0.949 -8.298) 8.459 3.459 ( -1.341 0.949 -8.298) 8.459 3.930 ( 1.112 -1.143 1.106) 1.941 3.930 ( 1.112 1.143 1.106) 1.941 4.446 ( -1.613 -4.797 1.490) 5.275 4.446 ( -1.613 4.797 1.490) 5.275 4.912 ( 1.204 -2.928 -4.909) 5.842 4.912 ( 1.204 2.928 -4.909) 5.842 6.290 ( 1.639 -4.722 5.665) 7.555 6.290 ( 1.639 4.722 5.665) 7.555 6.450 ( -0.902 -2.185 -8.121) 8.458 6.450 ( -0.902 2.185 -8.121) 8.458 8.080 ( 6.447 -5.180 7.103) 10.902 8.080 ( 6.448 5.180 7.103) 10.902 8.227 ( -7.315 -8.693 -3.259) 11.819 8.227 ( -7.315 8.693 -3.259) 11.819 9.181 ( -2.701 -6.866 18.540) 19.954 9.181 ( -2.701 6.866 18.540) 19.954 9.454 ( 1.382 -13.033 -7.015) 14.866 9.454 ( 1.382 13.033 -7.015) 14.866 10.039 ( -3.272 -2.870 -2.082) 4.825 10.039 ( -3.272 2.870 -2.082) 4.825 10.731 ( 1.606 -4.081 17.903) 18.432 10.731 ( 1.606 4.081 17.903) 18.432 11.020 ( -0.676 -10.645 -8.564) 13.679 11.020 ( -0.676 10.645 -8.564) 13.679 11.476 ( 1.184 -8.547 10.749) 13.783 11.476 ( 1.184 8.547 10.749) 13.783 11.734 ( 4.403 -6.157 -6.813) 10.184 11.734 ( 4.403 6.157 -6.813) 10.184 12.372 ( -2.876 -4.378 -11.773) 12.886 12.372 ( -2.876 4.378 -11.773) 12.886 13.809 ( 12.827 -6.032 9.922) 17.302 13.809 ( 12.827 6.032 9.922) 17.302 14.005 ( -11.953 -4.673 -6.396) 14.340 14.005 ( -11.953 4.673 -6.396) 14.340 14.587 ( -8.631 -1.794 1.108) 8.885 14.587 ( -8.631 1.794 1.108) 8.885 14.758 ( 8.406 -2.330 -4.562) 9.844 14.758 ( 8.406 2.330 -4.562) 9.844 17.643 ( -0.148 -1.795 4.125) 4.501 17.643 ( -0.148 1.795 4.125) 4.501 18.317 ( 0.147 -2.324 -5.963) 6.401 18.317 ( 0.147 2.324 -5.963) 6.401 ======================= Grid point 362 (198/205) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 2.168 -3.810 0.070) 4.384 2.738 ( 2.168 3.810 0.070) 4.384 2.919 ( 5.707 -0.353 1.554) 5.926 2.919 ( 5.707 0.353 1.554) 5.926 3.407 ( -1.727 -0.694 -2.141) 2.837 3.407 ( -1.727 0.694 -2.141) 2.837 3.908 ( -2.812 -3.473 -1.824) 4.827 3.908 ( -2.812 3.473 -1.824) 4.827 4.423 ( -1.467 -5.204 3.405) 6.390 4.423 ( -1.467 5.204 3.405) 6.390 4.944 ( 3.637 -3.475 -4.524) 6.765 4.944 ( 3.637 3.475 -4.524) 6.765 6.276 ( -2.516 -4.399 -0.872) 5.142 6.276 ( -2.516 4.399 -0.872) 5.142 6.510 ( 7.589 -2.152 -1.664) 8.061 6.510 ( 7.589 2.152 -1.664) 8.061 8.006 ( -7.767 -4.359 -2.857) 9.354 8.006 ( -7.767 4.359 -2.857) 9.354 8.317 ( 8.154 -6.171 7.230) 12.524 8.317 ( 8.154 6.171 7.230) 12.524 9.241 ( 0.366 -10.396 15.580) 18.734 9.241 ( 0.366 10.396 15.580) 18.734 9.434 ( 0.230 -8.559 -7.186) 11.178 9.434 ( 0.230 8.559 -7.186) 11.178 9.987 ( -2.123 -3.889 5.028) 6.702 9.987 ( -2.123 3.889 5.028) 6.702 10.760 ( -5.349 -10.200 8.607) 14.378 10.760 ( -5.349 10.200 8.607) 14.378 11.026 ( 4.384 -10.127 -4.537) 11.931 11.026 ( 4.384 10.127 -4.537) 11.931 11.479 ( -3.704 -9.797 2.935) 10.878 11.479 ( -3.704 9.797 2.935) 10.878 11.755 ( 1.273 -2.978 -12.345) 12.763 11.755 ( 1.273 2.978 -12.345) 12.763 12.239 ( -6.748 -4.210 -0.509) 7.970 12.239 ( -6.748 4.210 -0.509) 7.970 13.666 ( -13.930 -4.776 -8.327) 16.917 13.666 ( -13.930 4.776 -8.327) 16.917 14.106 ( 2.699 -3.879 10.464) 11.482 14.106 ( 2.699 3.879 10.464) 11.482 14.440 ( 0.820 -6.405 1.585) 6.649 14.440 ( 0.820 6.405 1.585) 6.649 14.991 ( 14.172 -3.225 -5.145) 15.418 14.991 ( 14.172 3.225 -5.145) 15.418 17.651 ( -0.565 -1.535 2.629) 3.096 17.651 ( -0.565 1.535 2.629) 3.096 18.259 ( -3.821 -0.741 -3.674) 5.352 18.259 ( -3.821 0.741 -3.674) 5.352 ======================= Grid point 364 (199/205) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 3.248 -4.689 -2.158) 6.099 2.785 ( 3.248 4.689 -2.158) 6.099 3.031 ( 5.920 -5.393 -6.520) 10.327 3.031 ( 5.920 5.393 -6.520) 10.327 3.372 ( -2.925 -2.980 7.200) 8.324 3.372 ( -2.925 2.980 7.200) 8.324 3.827 ( -3.449 -5.347 -5.607) 8.481 3.827 ( -3.449 5.347 -5.607) 8.481 4.445 ( 2.039 -3.705 6.995) 8.174 4.445 ( 2.039 3.705 6.995) 8.174 4.990 ( 2.780 -5.031 -3.993) 6.999 4.990 ( 2.780 5.031 -3.993) 6.999 6.242 ( 0.282 -5.757 -3.366) 6.675 6.242 ( 0.282 5.757 -3.366) 6.675 6.663 ( 7.738 -0.646 0.828) 7.808 6.663 ( 7.738 0.646 0.828) 7.808 7.889 ( -3.251 -1.536 -0.251) 3.604 7.889 ( -3.251 1.536 -0.251) 3.604 8.457 ( 2.810 -2.479 5.505) 6.659 8.457 ( 2.810 2.479 5.505) 6.659 9.284 ( -1.628 -13.435 3.189) 13.904 9.284 ( -1.628 13.435 3.189) 13.904 9.440 ( 3.263 -2.313 0.948) 4.111 9.440 ( 3.263 2.313 0.948) 4.111 10.021 ( 1.935 -4.879 11.292) 12.452 10.021 ( 1.935 4.879 11.292) 12.452 10.647 ( -8.264 -11.141 3.388) 14.279 10.647 ( -8.264 11.141 3.388) 14.279 11.044 ( -1.505 -17.515 -7.747) 19.211 11.044 ( -1.505 17.515 -7.747) 19.211 11.404 ( -3.496 -10.493 -2.451) 11.328 11.404 ( -3.496 10.493 -2.451) 11.328 11.681 ( -2.307 -3.570 -9.814) 10.695 11.681 ( -2.307 3.570 -9.814) 10.695 12.152 ( -3.432 -5.297 6.345) 8.950 12.152 ( -3.432 5.297 6.345) 8.950 13.365 ( -12.949 -4.516 -10.082) 17.021 13.365 ( -12.949 4.516 -10.082) 17.021 14.035 ( -8.246 -2.326 6.926) 11.018 14.035 ( -8.246 2.326 6.926) 11.018 14.653 ( 13.713 -10.340 4.877) 17.854 14.653 ( 13.713 10.340 4.877) 17.854 15.217 ( 11.302 -4.420 -5.160) 13.187 15.217 ( 11.302 4.420 -5.160) 13.187 17.644 ( -0.939 -0.853 0.859) 1.532 17.644 ( -0.939 0.853 0.859) 1.532 18.151 ( -5.843 -2.262 -1.466) 6.435 18.151 ( -5.843 2.262 -1.466) 6.435 ======================= Grid point 366 (200/205) ======================= q-point: ( 0.33 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 3.914 -4.570 -4.199) 7.338 2.843 ( 3.914 4.570 -4.199) 7.338 3.062 ( 0.267 -5.920 -4.376) 7.367 3.062 ( 0.267 5.920 -4.376) 7.367 3.371 ( -0.330 -2.265 5.916) 6.343 3.371 ( -0.330 2.265 5.916) 6.343 3.730 ( -3.827 -7.678 -6.219) 10.596 3.730 ( -3.827 7.678 -6.219) 10.596 4.568 ( 6.361 -2.924 10.187) 12.361 4.568 ( 6.361 2.924 10.187) 12.361 5.010 ( 1.023 -5.479 -3.947) 6.830 5.010 ( 1.023 5.479 -3.947) 6.830 6.258 ( 2.554 -6.568 -3.081) 7.691 6.258 ( 2.554 6.568 -3.081) 7.691 6.794 ( 5.127 -0.697 0.854) 5.244 6.794 ( 5.127 0.697 0.854) 5.244 7.874 ( 0.692 -3.500 2.635) 4.436 7.874 ( 0.692 3.500 2.635) 4.436 8.474 ( -2.234 -3.006 1.960) 4.228 8.474 ( -2.234 3.006 1.960) 4.228 9.219 ( -3.991 -10.084 -3.628) 11.436 9.219 ( -3.991 10.084 -3.628) 11.436 9.542 ( 4.147 -7.258 5.630) 10.079 9.542 ( 4.147 7.259 5.630) 10.079 10.140 ( 4.200 -4.987 12.969) 14.516 10.140 ( 4.200 4.987 12.969) 14.516 10.509 ( -6.420 -13.322 4.769) 15.538 10.509 ( -6.420 13.322 4.769) 15.538 10.937 ( -3.474 -11.857 -11.538) 16.905 10.937 ( -3.474 11.857 -11.538) 16.905 11.260 ( -10.366 -6.835 -6.209) 13.883 11.260 ( -10.366 6.835 -6.209) 13.883 11.665 ( 2.529 -4.210 3.168) 5.845 11.665 ( 2.529 4.210 3.168) 5.845 12.140 ( -0.161 -2.681 0.637) 2.760 12.140 ( -0.161 2.681 0.637) 2.760 13.097 ( -9.950 -3.611 -9.440) 14.183 13.097 ( -9.950 3.611 -9.440) 14.183 13.931 ( -4.791 -1.953 4.124) 6.616 13.931 ( -4.791 1.953 4.124) 6.616 14.914 ( 10.293 -11.334 5.937) 16.421 14.914 ( 10.293 11.334 5.937) 16.421 15.369 ( 6.841 -7.199 -5.718) 11.459 15.369 ( 6.841 7.199 -5.718) 11.459 17.623 ( -1.335 -0.181 -0.390) 1.402 17.623 ( -1.335 0.181 -0.390) 1.402 18.040 ( -4.708 -3.051 -0.253) 5.616 18.040 ( -4.708 3.051 -0.253) 5.616 ======================= Grid point 368 (201/205) ======================= q-point: (-0.56 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -0.467 -0.650 -4.615) 4.684 2.864 ( -0.467 0.650 -4.615) 4.684 3.064 ( 0.584 -3.571 5.602) 6.669 3.064 ( 0.584 3.571 5.602) 6.669 3.372 ( -0.590 -5.288 -4.756) 7.137 3.372 ( -0.590 5.288 -4.756) 7.137 3.652 ( -1.393 -5.791 -2.222) 6.357 3.652 ( -1.393 5.791 -2.222) 6.357 4.740 ( 5.350 -4.187 10.793) 12.753 4.740 ( 5.350 4.187 10.793) 12.753 4.996 ( 0.070 -5.490 -5.937) 8.086 4.996 ( 0.070 5.490 -5.937) 8.086 6.294 ( 1.768 -5.272 -2.123) 5.952 6.294 ( 1.768 5.272 -2.123) 5.952 6.860 ( 1.401 -0.537 0.612) 1.620 6.860 ( 1.401 0.537 0.612) 1.620 7.922 ( 2.403 -3.752 3.089) 5.422 7.922 ( 2.403 3.752 3.089) 5.422 8.416 ( -3.014 -2.361 -0.774) 3.906 8.416 ( -3.014 2.361 -0.774) 3.906 9.124 ( -4.108 -4.811 -2.319) 6.738 9.124 ( -4.108 4.811 -2.319) 6.738 9.611 ( 0.680 -7.465 4.648) 8.820 9.611 ( 0.680 7.465 4.648) 8.820 10.276 ( 4.186 -4.733 11.103) 12.775 10.276 ( 4.186 4.733 11.103) 12.775 10.469 ( -2.073 -10.898 9.659) 14.709 10.469 ( -2.073 10.898 9.659) 14.709 10.842 ( -3.092 -3.694 -4.667) 6.707 10.842 ( -3.092 3.694 -4.667) 6.707 11.006 ( -10.612 -3.626 -5.912) 12.677 11.006 ( -10.612 3.626 -5.912) 12.677 11.769 ( 6.116 -5.742 2.594) 8.781 11.769 ( 6.116 5.742 2.594) 8.781 12.132 ( 0.565 -0.982 -6.145) 6.248 12.132 ( 0.565 0.982 -6.145) 6.248 12.918 ( -4.903 -1.924 -5.933) 7.934 12.918 ( -4.903 1.924 -5.933) 7.934 13.888 ( -1.008 -1.080 1.801) 2.330 13.888 ( -1.008 1.080 1.801) 2.330 15.086 ( 4.823 -10.268 5.269) 12.508 15.086 ( 4.823 10.268 5.269) 12.508 15.428 ( 1.908 -9.019 -5.996) 10.997 15.428 ( 1.908 9.019 -5.996) 10.997 17.592 ( -1.674 -0.501 0.177) 1.756 17.592 ( -1.674 0.501 0.177) 1.756 17.985 ( -0.491 -1.577 -1.110) 1.990 17.985 ( -0.491 1.577 -1.110) 1.990 ======================= Grid point 370 (202/205) ======================= q-point: (-0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -3.774 -3.470 1.046) 5.233 2.808 ( -3.774 3.470 1.046) 5.233 3.084 ( -2.825 -3.880 4.744) 6.749 3.084 ( -2.825 3.880 4.744) 6.749 3.341 ( 1.486 -2.495 -4.308) 5.195 3.341 ( 1.486 2.495 -4.308) 5.195 3.664 ( 2.860 -3.610 -2.006) 5.024 3.664 ( 2.860 3.610 -2.006) 5.024 4.799 ( -4.161 -5.214 6.566) 9.361 4.799 ( -4.161 5.214 6.566) 9.361 4.994 ( 3.279 -5.345 -6.977) 9.381 4.994 ( 3.279 5.345 -6.977) 9.381 6.289 ( -1.583 -1.648 -1.577) 2.776 6.289 ( -1.583 1.648 -1.577) 2.776 6.857 ( -1.889 -0.352 0.790) 2.077 6.857 ( -1.889 0.352 0.790) 2.077 7.954 ( -0.518 -1.861 0.073) 1.933 7.954 ( -0.518 1.861 0.073) 1.933 8.403 ( 2.463 -0.806 -0.183) 2.598 8.403 ( 2.463 0.806 -0.183) 2.598 9.057 ( -2.623 -0.689 4.037) 4.863 9.057 ( -2.623 0.689 4.037) 4.863 9.627 ( -0.559 -1.110 3.144) 3.381 9.627 ( -0.559 1.110 3.144) 3.381 10.350 ( -2.490 -7.391 6.467) 10.131 10.350 ( -2.490 7.391 6.467) 10.131 10.488 ( 0.717 -4.022 10.805) 11.551 10.488 ( 0.717 4.022 10.805) 11.551 10.681 ( -11.031 -15.432 3.123) 19.225 10.681 ( -11.031 15.432 3.123) 19.225 10.966 ( 6.153 -7.156 -0.090) 9.438 10.966 ( 6.153 7.156 -0.090) 9.438 11.889 ( 5.829 -4.318 -6.495) 9.737 11.889 ( 5.829 4.318 -6.495) 9.737 12.129 ( 3.223 -3.466 -7.772) 9.099 12.129 ( 3.223 3.466 -7.772) 9.099 12.862 ( 0.683 -1.151 -0.281) 1.368 12.862 ( 0.683 1.151 -0.281) 1.368 13.907 ( 2.482 -1.098 -0.017) 2.714 13.907 ( 2.482 1.098 -0.017) 2.714 15.136 ( -1.568 -7.027 1.680) 7.393 15.136 ( -1.568 7.027 1.680) 7.393 15.395 ( -2.756 -8.184 -4.053) 9.540 15.395 ( -2.756 8.184 -4.053) 9.540 17.568 ( -1.171 -1.257 2.271) 2.847 17.568 ( -1.171 1.257 2.271) 2.847 18.013 ( 4.321 -1.591 -3.638) 5.869 18.013 ( 4.321 1.591 -3.638) 5.869 ======================= Grid point 372 (203/205) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -4.212 -4.949 4.845) 8.106 2.742 ( -4.212 4.949 4.845) 8.106 2.999 ( -6.346 -4.167 2.681) 8.051 2.999 ( -6.346 4.167 2.681) 8.051 3.406 ( 4.904 -3.754 1.008) 6.258 3.406 ( 4.904 3.754 1.008) 6.258 3.719 ( 3.813 -7.396 -3.755) 9.129 3.719 ( 3.813 7.396 -3.755) 9.129 4.685 ( -7.576 -6.103 0.023) 9.728 4.685 ( -7.576 6.103 0.023) 9.728 5.021 ( 1.486 -5.727 -5.604) 8.149 5.021 ( 1.486 5.727 -5.604) 8.149 6.235 ( -2.757 -3.547 -0.947) 4.591 6.235 ( -2.757 3.547 -0.947) 4.591 6.795 ( -4.878 -0.865 0.796) 5.018 6.795 ( -4.878 0.865 0.796) 5.018 7.919 ( -1.861 -0.937 -1.840) 2.779 7.919 ( -1.861 0.937 -1.840) 2.779 8.458 ( 1.075 -2.659 2.300) 3.677 8.458 ( 1.075 2.659 2.300) 3.677 9.086 ( 2.684 -5.284 9.235) 10.974 9.086 ( 2.684 5.284 9.235) 10.974 9.598 ( -4.009 -1.747 0.575) 4.411 9.598 ( -4.009 1.747 0.575) 4.411 10.283 ( -4.388 -9.567 0.995) 10.572 10.283 ( -4.388 9.567 0.995) 10.572 10.537 ( -2.169 -4.782 2.109) 5.659 10.537 ( -2.169 4.782 2.109) 5.659 10.589 ( 1.020 -19.761 18.019) 26.763 10.589 ( 1.020 19.761 18.019) 26.763 11.130 ( 8.134 -6.432 6.543) 12.261 11.130 ( 8.134 6.432 6.543) 12.261 11.885 ( -1.009 -0.615 -15.581) 15.626 11.885 ( -1.009 0.615 -15.581) 15.626 12.216 ( 8.493 -7.192 -7.051) 13.175 12.216 ( 8.493 7.192 -7.051) 13.175 12.951 ( 7.555 -3.661 4.960) 9.751 12.951 ( 7.555 3.661 4.960) 9.751 13.983 ( 5.709 -2.433 -1.127) 6.307 13.983 ( 5.709 2.433 -1.127) 6.307 15.034 ( -8.154 -7.540 -4.665) 12.045 15.034 ( -8.154 7.540 -4.665) 12.045 15.295 ( -6.821 -6.115 0.469) 9.173 15.295 ( -6.821 6.115 0.469) 9.173 17.570 ( -0.172 -1.825 4.170) 4.555 17.570 ( -0.172 1.825 4.170) 4.555 18.107 ( 7.238 -4.178 -6.138) 10.369 18.107 ( 7.238 4.178 -6.138) 10.369 ======================= Grid point 374 (204/205) ======================= q-point: (-0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -3.115 -6.597 6.453) 9.740 2.695 ( -3.115 6.597 6.453) 9.740 2.894 ( -5.899 -7.560 4.761) 10.706 2.894 ( -5.899 7.560 4.761) 10.706 3.501 ( 4.072 -3.617 -1.610) 5.679 3.501 ( 4.072 3.617 -1.610) 5.679 3.775 ( 3.741 -5.318 -2.212) 6.868 3.775 ( 3.741 5.318 -2.212) 6.868 4.551 ( -5.324 -6.466 -1.852) 8.578 4.551 ( -5.324 6.466 -1.852) 8.578 4.998 ( -1.194 -5.941 -5.332) 8.072 4.998 ( -1.194 5.941 -5.332) 8.072 6.197 ( -0.595 -5.680 0.390) 5.724 6.197 ( -0.595 5.680 0.390) 5.724 6.685 ( -6.307 -1.068 -0.732) 6.438 6.685 ( -6.307 1.068 -0.732) 6.438 7.890 ( -0.115 -1.181 -0.418) 1.258 7.890 ( -0.115 1.181 -0.418) 1.258 8.453 ( -3.055 -4.826 5.636) 8.025 8.453 ( -3.055 4.826 5.636) 8.025 9.194 ( 2.296 -8.931 9.374) 13.149 9.194 ( 2.296 8.931 9.374) 13.149 9.486 ( -5.742 -5.260 -1.928) 8.022 9.486 ( -5.742 5.260 -1.928) 8.022 10.203 ( -3.206 -7.541 -5.069) 9.635 10.203 ( -3.206 7.541 -5.069) 9.635 10.544 ( -0.642 -4.531 12.741) 13.537 10.544 ( -0.642 4.531 12.741) 13.537 10.774 ( 9.622 -22.531 15.877) 29.194 10.774 ( 9.622 22.531 15.877) 29.194 11.298 ( 5.562 -6.949 6.306) 10.909 11.298 ( 5.562 6.949 6.306) 10.909 11.761 ( -3.660 -2.631 -13.693) 14.416 11.761 ( -3.660 2.631 -13.693) 14.416 12.348 ( 8.706 -7.463 -12.070) 16.649 12.348 ( 8.706 7.463 -12.070) 16.649 13.178 ( 12.338 -4.773 8.349) 15.643 13.178 ( 12.338 4.773 8.349) 15.643 14.113 ( 8.092 -3.574 -1.342) 8.947 14.113 ( 8.092 3.574 -1.342) 8.947 14.802 ( -12.055 -9.844 -9.041) 17.999 14.802 ( -12.055 9.844 -9.041) 17.999 15.133 ( -10.904 -5.355 2.900) 12.489 15.133 ( -10.904 5.355 2.900) 12.489 17.593 ( 0.334 -1.899 5.103) 5.455 17.593 ( 0.334 1.899 5.103) 5.455 18.220 ( 7.208 -5.042 -7.580) 11.612 18.220 ( 7.208 5.042 -7.580) 11.612 ======================= Grid point 376 (205/205) ======================= q-point: (-0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -1.204 -6.839 6.429) 9.463 2.682 ( -1.204 6.839 6.429) 9.463 2.825 ( -3.318 -7.514 6.024) 10.186 2.825 ( -3.318 7.514 6.024) 10.186 3.516 ( -0.088 -1.921 -8.068) 8.294 3.516 ( -0.088 1.921 -8.068) 8.294 3.860 ( 4.705 -3.000 1.763) 5.852 3.860 ( 4.705 3.000 1.763) 5.852 4.475 ( -2.113 -5.997 -0.652) 6.392 4.475 ( -2.113 5.997 -0.652) 6.392 4.943 ( -1.687 -5.348 -4.954) 7.483 4.943 ( -1.687 5.348 -4.954) 7.483 6.221 ( 2.281 -5.870 2.632) 6.825 6.221 ( 2.281 5.870 2.632) 6.825 6.556 ( -5.747 -1.205 -4.209) 7.225 6.556 ( -5.747 1.205 -4.209) 7.225 7.934 ( 4.415 -3.626 3.511) 6.705 7.934 ( 4.415 3.626 3.511) 6.705 8.383 ( -6.604 -7.589 2.570) 10.383 8.383 ( -6.604 7.590 2.570) 10.383 9.198 ( -5.684 -5.960 13.498) 15.812 9.198 ( -5.684 5.960 13.498) 15.812 9.440 ( 1.925 -13.367 -4.262) 14.162 9.440 ( 1.925 13.367 -4.262) 14.162 10.118 ( -2.819 -3.225 -6.746) 7.991 10.118 ( -2.819 3.225 -6.746) 7.991 10.616 ( 1.084 -1.982 18.343) 18.482 10.616 ( 1.084 1.982 18.343) 18.482 11.005 ( 6.314 -19.030 4.273) 20.501 11.005 ( 6.314 19.030 4.273) 20.501 11.388 ( 1.691 -7.047 8.755) 11.365 11.388 ( 1.691 7.047 8.755) 11.365 11.691 ( 2.212 -2.939 -8.618) 9.370 11.691 ( 2.212 2.939 -8.618) 9.370 12.419 ( 4.165 -5.643 -14.520) 16.125 12.419 ( 4.165 5.643 -14.520) 16.125 13.480 ( 14.708 -5.513 9.772) 18.499 13.480 ( 14.708 5.513 9.772) 18.499 14.216 ( -1.562 -3.992 -1.405) 4.511 14.216 ( -1.562 3.992 -1.405) 4.511 14.576 ( -1.916 -9.284 -10.544) 14.179 14.576 ( -1.916 9.284 -10.544) 14.179 14.906 ( -13.635 -5.196 3.062) 14.909 14.906 ( -13.635 5.196 3.062) 14.909 17.621 ( 0.231 -1.858 5.027) 5.364 17.621 ( 0.231 1.858 5.027) 5.364 18.302 ( 4.414 -4.220 -7.487) 9.662 18.302 ( 4.414 4.220 -7.487) 9.662 =================== 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 3/31104 10.0 5180.203 3806.446 2945.402 0.000 390.137 0.000 3/31104 20.0 576.433 413.675 290.245 0.000 22.871 0.000 3/31104 30.0 151.157 108.871 83.143 0.000 4.227 0.000 3/31104 40.0 65.586 46.531 37.737 0.000 1.429 0.000 3/31104 50.0 36.769 25.754 21.760 0.000 0.689 0.000 3/31104 60.0 23.887 16.587 14.459 0.000 0.416 0.000 3/31104 70.0 17.032 11.765 10.529 0.000 0.293 0.000 3/31104 80.0 12.943 8.915 8.170 0.000 0.229 0.000 3/31104 90.0 10.301 7.089 6.639 0.000 0.192 0.000 3/31104 100.0 8.491 5.846 5.584 0.000 0.167 0.000 3/31104 110.0 7.194 4.961 4.823 0.000 0.150 0.000 3/31104 120.0 6.229 4.305 4.252 0.000 0.136 0.000 3/31104 130.0 5.490 3.806 3.810 0.000 0.125 0.000 3/31104 140.0 4.909 3.414 3.458 0.000 0.116 0.000 3/31104 150.0 4.442 3.100 3.171 0.000 0.109 0.000 3/31104 160.0 4.059 2.844 2.933 0.000 0.102 0.000 3/31104 170.0 3.740 2.631 2.731 0.000 0.096 0.000 3/31104 180.0 3.471 2.452 2.559 0.000 0.090 0.000 3/31104 190.0 3.240 2.298 2.409 0.000 0.086 0.000 3/31104 200.0 3.041 2.165 2.278 0.000 0.081 0.000 3/31104 210.0 2.866 2.049 2.161 0.000 0.077 0.000 3/31104 220.0 2.712 1.946 2.057 0.000 0.074 0.000 3/31104 230.0 2.575 1.854 1.964 0.000 0.070 0.000 3/31104 240.0 2.452 1.772 1.879 0.000 0.067 0.000 3/31104 250.0 2.342 1.698 1.802 0.000 0.065 0.000 3/31104 260.0 2.241 1.630 1.731 0.000 0.062 0.000 3/31104 270.0 2.150 1.569 1.666 0.000 0.060 0.000 3/31104 280.0 2.066 1.512 1.606 0.000 0.057 0.000 3/31104 290.0 1.989 1.459 1.551 0.000 0.055 0.000 3/31104 300.0 1.918 1.411 1.499 0.000 0.053 0.000 3/31104 310.0 1.852 1.366 1.451 0.000 0.052 0.000 3/31104 320.0 1.790 1.324 1.406 0.000 0.050 0.000 3/31104 330.0 1.733 1.284 1.363 0.000 0.048 0.000 3/31104 340.0 1.680 1.247 1.324 0.000 0.047 0.000 3/31104 350.0 1.629 1.213 1.286 0.000 0.046 0.000 3/31104 360.0 1.582 1.180 1.251 0.000 0.044 0.000 3/31104 370.0 1.538 1.149 1.218 0.000 0.043 0.000 3/31104 380.0 1.496 1.120 1.186 0.000 0.042 0.000 3/31104 390.0 1.457 1.092 1.156 0.000 0.041 0.000 3/31104 400.0 1.419 1.065 1.128 0.000 0.040 0.000 3/31104 410.0 1.384 1.040 1.101 0.000 0.039 0.000 3/31104 420.0 1.350 1.017 1.075 0.000 0.038 0.000 3/31104 430.0 1.318 0.994 1.050 0.000 0.037 0.000 3/31104 440.0 1.288 0.972 1.027 0.000 0.036 0.000 3/31104 450.0 1.259 0.951 1.004 0.000 0.035 0.000 3/31104 460.0 1.231 0.931 0.983 0.000 0.034 0.000 3/31104 470.0 1.204 0.912 0.962 0.000 0.034 0.000 3/31104 480.0 1.179 0.894 0.943 0.000 0.033 0.000 3/31104 490.0 1.154 0.876 0.924 0.000 0.032 0.000 3/31104 500.0 1.131 0.860 0.906 0.000 0.032 0.000 3/31104 510.0 1.109 0.843 0.888 0.000 0.031 0.000 3/31104 520.0 1.087 0.828 0.871 0.000 0.030 0.000 3/31104 530.0 1.067 0.813 0.855 0.000 0.030 0.000 3/31104 540.0 1.047 0.798 0.840 0.000 0.029 0.000 3/31104 550.0 1.027 0.784 0.825 0.000 0.029 0.000 3/31104 560.0 1.009 0.771 0.810 0.000 0.028 0.000 3/31104 570.0 0.991 0.758 0.796 0.000 0.028 0.000 3/31104 580.0 0.974 0.745 0.783 0.000 0.027 0.000 3/31104 590.0 0.957 0.733 0.769 0.000 0.027 0.000 3/31104 600.0 0.941 0.721 0.757 0.000 0.026 0.000 3/31104 610.0 0.926 0.710 0.745 0.000 0.026 0.000 3/31104 620.0 0.911 0.699 0.733 0.000 0.025 0.000 3/31104 630.0 0.896 0.688 0.721 0.000 0.025 0.000 3/31104 640.0 0.882 0.677 0.710 0.000 0.025 0.000 3/31104 650.0 0.869 0.667 0.699 0.000 0.024 0.000 3/31104 660.0 0.856 0.658 0.689 0.000 0.024 0.000 3/31104 670.0 0.843 0.648 0.679 0.000 0.023 0.000 3/31104 680.0 0.830 0.639 0.669 0.000 0.023 0.000 3/31104 690.0 0.818 0.630 0.659 0.000 0.023 0.000 3/31104 700.0 0.807 0.621 0.650 0.000 0.022 0.000 3/31104 710.0 0.795 0.613 0.641 0.000 0.022 0.000 3/31104 720.0 0.784 0.604 0.632 0.000 0.022 0.000 3/31104 730.0 0.774 0.596 0.624 0.000 0.021 0.000 3/31104 740.0 0.763 0.589 0.615 0.000 0.021 0.000 3/31104 750.0 0.753 0.581 0.607 0.000 0.021 0.000 3/31104 760.0 0.743 0.573 0.599 0.000 0.021 0.000 3/31104 770.0 0.733 0.566 0.592 0.000 0.020 0.000 3/31104 780.0 0.724 0.559 0.584 0.000 0.020 0.000 3/31104 790.0 0.715 0.552 0.577 0.000 0.020 0.000 3/31104 800.0 0.706 0.546 0.570 0.000 0.020 0.000 3/31104 810.0 0.697 0.539 0.563 0.000 0.019 0.000 3/31104 820.0 0.689 0.533 0.556 0.000 0.019 0.000 3/31104 830.0 0.680 0.526 0.549 0.000 0.019 0.000 3/31104 840.0 0.672 0.520 0.543 0.000 0.019 0.000 3/31104 850.0 0.664 0.514 0.537 0.000 0.018 0.000 3/31104 860.0 0.657 0.508 0.530 0.000 0.018 0.000 3/31104 870.0 0.649 0.503 0.524 0.000 0.018 0.000 3/31104 880.0 0.642 0.497 0.518 0.000 0.018 0.000 3/31104 890.0 0.635 0.492 0.513 0.000 0.018 0.000 3/31104 900.0 0.628 0.486 0.507 0.000 0.017 0.000 3/31104 910.0 0.621 0.481 0.502 0.000 0.017 0.000 3/31104 920.0 0.614 0.476 0.496 0.000 0.017 0.000 3/31104 930.0 0.607 0.471 0.491 0.000 0.017 0.000 3/31104 940.0 0.601 0.466 0.486 0.000 0.017 0.000 3/31104 950.0 0.595 0.461 0.481 0.000 0.016 0.000 3/31104 960.0 0.588 0.457 0.476 0.000 0.016 0.000 3/31104 970.0 0.582 0.452 0.471 0.000 0.016 0.000 3/31104 980.0 0.576 0.448 0.466 0.000 0.016 0.000 3/31104 990.0 0.571 0.443 0.461 0.000 0.016 0.000 3/31104 1000.0 0.565 0.439 0.457 0.000 0.016 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m989.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:48:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|