----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:12:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.519367940014968 0.000000000000000 0.000000000000000 b 0.000000000000000 6.776794640000002 0.000000000000000 c -1.104008835511654 0.000000000000000 6.969941254295341 Atomic positions (fractional): *1 Er 0.63687996177588 0.35785003231387 0.32399359040902 167.259 2 Er 0.63687996177588 0.14214996768613 0.82399359040902 167.259 3 Er 0.36312003822412 0.85785003231387 0.17600640959098 167.259 4 Er 0.36312003822412 0.64214996768613 0.67600640959098 167.259 *5 Se 0.85612271507658 0.88309152186742 0.29259295756941 78.960 6 Se 0.85612271507658 0.61690847813258 0.79259295756941 78.960 7 Se 0.14387728492342 0.38309152186742 0.20740704243059 78.960 8 Se 0.14387728492342 0.11690847813258 0.70740704243059 78.960 *9 O 0.67524377597978 0.80606077848452 0.78399408598083 15.999 *10 O 0.67362824944155 0.46449370248541 0.64757261323582 15.999 *11 O 0.01617687151008 0.68983213854898 0.63662332926847 15.999 12 O 0.32637175055845 0.96449370248541 0.85242738676418 15.999 13 O 0.67524377597978 0.69393922151548 0.28399408598083 15.999 14 O 0.98382312848992 0.18983213854898 0.86337667073153 15.999 15 O 0.32475622402022 0.30606077848452 0.71600591401917 15.999 16 O 0.67362824944155 0.03550629751459 0.14757261323582 15.999 17 O 0.32637175055845 0.53550629751459 0.35242738676418 15.999 18 O 0.32475622402022 0.19393922151548 0.21600591401916 15.999 19 O 0.98382312848992 0.31016786145102 0.36337667073153 15.999 20 O 0.01617687151008 0.81016786145102 0.13662332926847 15.999 *21 F 0.67044202709638 0.11117323346110 0.52434091040095 18.998 22 F 0.67044202709638 0.38882676653890 0.02434091040095 18.998 23 F 0.32955797290362 0.88882676653890 0.47565908959905 18.998 24 F 0.32955797290362 0.61117323346110 0.97565908959905 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.519367940014968 0.000000000000000 0.000000000000000 b 0.000000000000000 6.776794640000002 0.000000000000000 c -1.104008835511654 0.000000000000000 6.969941254295341 Atomic positions (fractional): *1 Er 0.63687996177588 0.35785003231387 0.32399359040902 167.259 > 1 2 Er 0.63687996177588 0.14214996768613 0.82399359040902 167.259 > 2 3 Er 0.36312003822412 0.85785003231387 0.17600640959098 167.259 > 3 4 Er 0.36312003822412 0.64214996768613 0.67600640959098 167.259 > 4 *5 Se 0.85612271507658 0.88309152186742 0.29259295756941 78.960 > 5 6 Se 0.85612271507658 0.61690847813258 0.79259295756941 78.960 > 6 7 Se 0.14387728492342 0.38309152186742 0.20740704243059 78.960 > 7 8 Se 0.14387728492342 0.11690847813258 0.70740704243059 78.960 > 8 *9 O 0.67524377597978 0.80606077848452 0.78399408598083 15.999 > 9 *10 O 0.67362824944155 0.46449370248541 0.64757261323582 15.999 > 10 *11 O 0.01617687151008 0.68983213854898 0.63662332926847 15.999 > 11 12 O 0.32637175055845 0.96449370248541 0.85242738676418 15.999 > 12 13 O 0.67524377597978 0.69393922151548 0.28399408598083 15.999 > 13 14 O 0.98382312848992 0.18983213854898 0.86337667073153 15.999 > 14 15 O 0.32475622402022 0.30606077848452 0.71600591401917 15.999 > 15 16 O 0.67362824944155 0.03550629751459 0.14757261323582 15.999 > 16 17 O 0.32637175055845 0.53550629751459 0.35242738676418 15.999 > 17 18 O 0.32475622402022 0.19393922151548 0.21600591401916 15.999 > 18 19 O 0.98382312848992 0.31016786145102 0.36337667073153 15.999 > 19 20 O 0.01617687151008 0.81016786145102 0.13662332926847 15.999 > 20 *21 F 0.67044202709638 0.11117323346110 0.52434091040095 18.998 > 21 22 F 0.67044202709638 0.38882676653890 0.02434091040095 18.998 > 22 23 F 0.32955797290362 0.88882676653890 0.47565908959905 18.998 > 23 24 F 0.32955797290362 0.61117323346110 0.97565908959905 18.998 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.038735880029936 0.000000000000000 0.000000000000000 b 0.000000000000000 13.553589280000004 0.000000000000000 c -1.104008835511654 0.000000000000000 6.969941254295341 Atomic positions (fractional): *1 Er 0.31843998088794 0.17892501615693 0.32399359040902 167.259 > 1 2 Er 0.81843998088794 0.17892501615693 0.32399359040902 167.259 > 1 3 Er 0.31843998088794 0.67892501615693 0.32399359040902 167.259 > 1 4 Er 0.81843998088794 0.67892501615693 0.32399359040902 167.259 > 1 5 Er 0.31843998088794 0.07107498384307 0.82399359040902 167.259 > 2 6 Er 0.81843998088794 0.07107498384307 0.82399359040902 167.259 > 2 7 Er 0.31843998088794 0.57107498384307 0.82399359040902 167.259 > 2 8 Er 0.81843998088794 0.57107498384307 0.82399359040902 167.259 > 2 9 Er 0.18156001911206 0.42892501615693 0.17600640959098 167.259 > 3 10 Er 0.68156001911206 0.42892501615693 0.17600640959098 167.259 > 3 11 Er 0.18156001911206 0.92892501615693 0.17600640959098 167.259 > 3 12 Er 0.68156001911206 0.92892501615693 0.17600640959098 167.259 > 3 13 Er 0.18156001911206 0.32107498384307 0.67600640959098 167.259 > 4 14 Er 0.68156001911206 0.32107498384307 0.67600640959098 167.259 > 4 15 Er 0.18156001911206 0.82107498384307 0.67600640959098 167.259 > 4 16 Er 0.68156001911206 0.82107498384307 0.67600640959098 167.259 > 4 *17 Se 0.42806135753829 0.44154576093371 0.29259295756941 78.960 > 5 18 Se 0.92806135753829 0.44154576093371 0.29259295756941 78.960 > 5 19 Se 0.42806135753829 0.94154576093371 0.29259295756941 78.960 > 5 20 Se 0.92806135753829 0.94154576093371 0.29259295756941 78.960 > 5 21 Se 0.42806135753829 0.30845423906629 0.79259295756941 78.960 > 6 22 Se 0.92806135753829 0.30845423906629 0.79259295756941 78.960 > 6 23 Se 0.42806135753829 0.80845423906629 0.79259295756941 78.960 > 6 24 Se 0.92806135753829 0.80845423906629 0.79259295756941 78.960 > 6 25 Se 0.07193864246171 0.19154576093371 0.20740704243059 78.960 > 7 26 Se 0.57193864246171 0.19154576093371 0.20740704243059 78.960 > 7 27 Se 0.07193864246171 0.69154576093371 0.20740704243059 78.960 > 7 28 Se 0.57193864246171 0.69154576093371 0.20740704243059 78.960 > 7 29 Se 0.07193864246171 0.05845423906629 0.70740704243059 78.960 > 8 30 Se 0.57193864246171 0.05845423906629 0.70740704243059 78.960 > 8 31 Se 0.07193864246171 0.55845423906629 0.70740704243059 78.960 > 8 32 Se 0.57193864246171 0.55845423906629 0.70740704243059 78.960 > 8 *33 O 0.33762188798989 0.40303038924226 0.78399408598083 15.999 > 9 34 O 0.83762188798989 0.40303038924226 0.78399408598083 15.999 > 9 35 O 0.33762188798989 0.90303038924226 0.78399408598083 15.999 > 9 36 O 0.83762188798989 0.90303038924226 0.78399408598083 15.999 > 9 *37 O 0.33681412472077 0.23224685124271 0.64757261323582 15.999 > 10 38 O 0.83681412472077 0.23224685124271 0.64757261323582 15.999 > 10 39 O 0.33681412472077 0.73224685124271 0.64757261323582 15.999 > 10 40 O 0.83681412472077 0.73224685124271 0.64757261323582 15.999 > 10 *41 O 0.00808843575504 0.34491606927449 0.63662332926847 15.999 > 11 42 O 0.50808843575504 0.34491606927449 0.63662332926847 15.999 > 11 43 O 0.00808843575504 0.84491606927449 0.63662332926847 15.999 > 11 44 O 0.50808843575504 0.84491606927449 0.63662332926847 15.999 > 11 45 O 0.16318587527923 0.48224685124271 0.85242738676418 15.999 > 12 46 O 0.66318587527923 0.48224685124271 0.85242738676418 15.999 > 12 47 O 0.16318587527923 0.98224685124271 0.85242738676418 15.999 > 12 48 O 0.66318587527923 0.98224685124271 0.85242738676418 15.999 > 12 49 O 0.33762188798989 0.34696961075774 0.28399408598083 15.999 > 13 50 O 0.83762188798989 0.34696961075774 0.28399408598083 15.999 > 13 51 O 0.33762188798989 0.84696961075774 0.28399408598083 15.999 > 13 52 O 0.83762188798989 0.84696961075774 0.28399408598083 15.999 > 13 53 O 0.49191156424496 0.09491606927449 0.86337667073153 15.999 > 14 54 O 0.99191156424496 0.09491606927449 0.86337667073153 15.999 > 14 55 O 0.49191156424496 0.59491606927449 0.86337667073153 15.999 > 14 56 O 0.99191156424496 0.59491606927449 0.86337667073153 15.999 > 14 57 O 0.16237811201011 0.15303038924226 0.71600591401917 15.999 > 15 58 O 0.66237811201011 0.15303038924226 0.71600591401917 15.999 > 15 59 O 0.16237811201011 0.65303038924226 0.71600591401917 15.999 > 15 60 O 0.66237811201011 0.65303038924226 0.71600591401917 15.999 > 15 61 O 0.33681412472077 0.01775314875729 0.14757261323582 15.999 > 16 62 O 0.83681412472077 0.01775314875729 0.14757261323582 15.999 > 16 63 O 0.33681412472077 0.51775314875729 0.14757261323582 15.999 > 16 64 O 0.83681412472077 0.51775314875729 0.14757261323582 15.999 > 16 65 O 0.16318587527923 0.26775314875729 0.35242738676418 15.999 > 17 66 O 0.66318587527923 0.26775314875729 0.35242738676418 15.999 > 17 67 O 0.16318587527923 0.76775314875729 0.35242738676418 15.999 > 17 68 O 0.66318587527923 0.76775314875729 0.35242738676418 15.999 > 17 69 O 0.16237811201011 0.09696961075774 0.21600591401916 15.999 > 18 70 O 0.66237811201011 0.09696961075774 0.21600591401916 15.999 > 18 71 O 0.16237811201011 0.59696961075774 0.21600591401916 15.999 > 18 72 O 0.66237811201011 0.59696961075774 0.21600591401916 15.999 > 18 73 O 0.49191156424496 0.15508393072551 0.36337667073153 15.999 > 19 74 O 0.99191156424496 0.15508393072551 0.36337667073153 15.999 > 19 75 O 0.49191156424496 0.65508393072551 0.36337667073153 15.999 > 19 76 O 0.99191156424496 0.65508393072551 0.36337667073153 15.999 > 19 77 O 0.00808843575504 0.40508393072551 0.13662332926847 15.999 > 20 78 O 0.50808843575504 0.40508393072551 0.13662332926847 15.999 > 20 79 O 0.00808843575504 0.90508393072551 0.13662332926847 15.999 > 20 80 O 0.50808843575504 0.90508393072551 0.13662332926847 15.999 > 20 *81 F 0.33522101354819 0.05558661673055 0.52434091040095 18.998 > 21 82 F 0.83522101354819 0.05558661673055 0.52434091040095 18.998 > 21 83 F 0.33522101354819 0.55558661673055 0.52434091040095 18.998 > 21 84 F 0.83522101354819 0.55558661673055 0.52434091040095 18.998 > 21 85 F 0.33522101354819 0.19441338326945 0.02434091040095 18.998 > 22 86 F 0.83522101354819 0.19441338326945 0.02434091040095 18.998 > 22 87 F 0.33522101354819 0.69441338326945 0.02434091040095 18.998 > 22 88 F 0.83522101354819 0.69441338326945 0.02434091040095 18.998 > 22 89 F 0.16477898645181 0.44441338326945 0.47565908959905 18.998 > 23 90 F 0.66477898645181 0.44441338326945 0.47565908959905 18.998 > 23 91 F 0.16477898645181 0.94441338326945 0.47565908959905 18.998 > 23 92 F 0.66477898645181 0.94441338326945 0.47565908959905 18.998 > 23 93 F 0.16477898645181 0.30558661673055 0.97565908959905 18.998 > 24 94 F 0.66477898645181 0.30558661673055 0.97565908959905 18.998 > 24 95 F 0.16477898645181 0.80558661673055 0.97565908959905 18.998 > 24 96 F 0.66477898645181 0.80558661673055 0.97565908959905 18.998 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0818371 0.0000000 -0.0999189 0.0000000 3.7917355 0.0000000 -0.0999179 0.0000000 3.5294192 -------------------------- Born effective charges -------------------------- 1 Er 4.4483800 -0.0300903 0.0747241 -0.0980684 3.9324964 0.2608872 -0.2447705 -0.2282934 3.7964540 2 Er 4.4483800 0.0300903 0.0747241 0.0980684 3.9324964 -0.2608872 -0.2447705 0.2282934 3.7964540 3 Er 4.4483800 0.0300903 0.0747241 0.0980684 3.9324964 -0.2608872 -0.2447705 0.2282934 3.7964540 4 Er 4.4483800 -0.0300903 0.0747241 -0.0980684 3.9324964 0.2608872 -0.2447705 -0.2282934 3.7964540 5 Se 3.6324055 -0.0911505 -0.4143689 -0.4107132 3.0592763 -0.2515951 -0.2179490 -0.3343190 2.6196720 6 Se 3.6324055 0.0911505 -0.4143689 0.4107132 3.0592763 0.2515951 -0.2179490 0.3343190 2.6196720 7 Se 3.6324055 0.0911505 -0.4143689 0.4107132 3.0592763 0.2515951 -0.2179490 0.3343190 2.6196720 8 Se 3.6324055 -0.0911505 -0.4143689 -0.4107132 3.0592763 -0.2515951 -0.2179490 -0.3343190 2.6196720 9 O -2.1722538 0.6145644 -0.3139108 0.6766516 -2.4099801 -0.0637129 0.0940326 -0.4575040 -0.9156602 10 O -2.0369179 -0.1509056 -0.4780223 -0.7248949 -1.9963964 -0.7485285 -0.3614008 -0.3281851 -1.9571583 11 O -2.8515255 -0.4064364 0.9207130 -0.2552893 -1.1912501 0.4202363 0.3987880 0.3707523 -1.5587739 12 O -2.0369179 0.1509056 -0.4780223 0.7248949 -1.9963964 0.7485285 -0.3614008 0.3281851 -1.9571583 13 O -2.1722538 -0.6145644 -0.3139108 -0.6766516 -2.4099801 0.0637129 0.0940326 0.4575040 -0.9156602 14 O -2.8515255 0.4064364 0.9207130 0.2552893 -1.1912501 -0.4202363 0.3987880 -0.3707523 -1.5587739 15 O -2.1722538 -0.6145644 -0.3139108 -0.6766516 -2.4099801 0.0637129 0.0940326 0.4575040 -0.9156602 16 O -2.0369179 0.1509056 -0.4780223 0.7248949 -1.9963964 0.7485285 -0.3614008 0.3281851 -1.9571583 17 O -2.0369179 -0.1509056 -0.4780223 -0.7248949 -1.9963964 -0.7485285 -0.3614008 -0.3281851 -1.9571583 18 O -2.1722538 0.6145644 -0.3139108 0.6766516 -2.4099801 -0.0637129 0.0940326 -0.4575040 -0.9156602 19 O -2.8515255 -0.4064364 0.9207130 -0.2552893 -1.1912501 0.4202363 0.3987880 0.3707523 -1.5587739 20 O -2.8515255 0.4064364 0.9207130 0.2552893 -1.1912501 -0.4202363 0.3987880 -0.3707523 -1.5587739 21 F -1.0200883 0.0735195 0.2108648 0.1085884 -1.3941461 0.2197431 0.3312996 0.0597539 -1.9845336 22 F -1.0200883 -0.0735195 0.2108648 -0.1085884 -1.3941461 -0.2197431 0.3312996 -0.0597539 -1.9845336 23 F -1.0200883 0.0735195 0.2108648 0.1085884 -1.3941461 0.2197431 0.3312996 0.0597539 -1.9845336 24 F -1.0200883 -0.0735195 0.2108648 -0.1085884 -1.3941461 -0.2197431 0.3312996 -0.0597539 -1.9845336 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.794 Solver_block: 200 / 720 - Time: 0.670 Solver_block: 300 / 720 - Time: 0.650 Solver_block: 400 / 720 - Time: 0.676 Solver_block: 500 / 720 - Time: 0.679 Solver_block: 600 / 720 - Time: 0.670 Solver_block: 700 / 720 - Time: 0.701 Solver_block: 720 / 720 - Time: 0.232 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.295 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:12:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:12:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.519367940014968 0.000000000000000 0.000000000000000 b 0.000000000000000 6.776794640000002 0.000000000000000 c -1.104008835511654 0.000000000000000 6.969941254295341 Atomic positions (fractional): 1 Er 0.63687996177588 0.35785003231387 0.32399359040902 167.259 2 Er 0.63687996177588 0.14214996768613 0.82399359040902 167.259 3 Er 0.36312003822412 0.85785003231387 0.17600640959098 167.259 4 Er 0.36312003822412 0.64214996768613 0.67600640959098 167.259 5 Se 0.85612271507658 0.88309152186742 0.29259295756941 78.960 6 Se 0.85612271507658 0.61690847813258 0.79259295756941 78.960 7 Se 0.14387728492342 0.38309152186742 0.20740704243059 78.960 8 Se 0.14387728492342 0.11690847813258 0.70740704243059 78.960 9 O 0.67524377597978 0.80606077848452 0.78399408598083 15.999 10 O 0.67362824944155 0.46449370248541 0.64757261323582 15.999 11 O 0.01617687151008 0.68983213854898 0.63662332926847 15.999 12 O 0.32637175055845 0.96449370248541 0.85242738676418 15.999 13 O 0.67524377597978 0.69393922151548 0.28399408598083 15.999 14 O 0.98382312848992 0.18983213854898 0.86337667073153 15.999 15 O 0.32475622402022 0.30606077848452 0.71600591401917 15.999 16 O 0.67362824944155 0.03550629751459 0.14757261323582 15.999 17 O 0.32637175055845 0.53550629751459 0.35242738676418 15.999 18 O 0.32475622402022 0.19393922151548 0.21600591401916 15.999 19 O 0.98382312848992 0.31016786145102 0.36337667073153 15.999 20 O 0.01617687151008 0.81016786145102 0.13662332926847 15.999 21 F 0.67044202709638 0.11117323346110 0.52434091040095 18.998 22 F 0.67044202709638 0.38882676653890 0.02434091040095 18.998 23 F 0.32955797290362 0.88882676653890 0.47565908959905 18.998 24 F 0.32955797290362 0.61117323346110 0.97565908959905 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.038735880029936 0.000000000000000 0.000000000000000 b 0.000000000000000 13.553589280000004 0.000000000000000 c -1.104008835511654 0.000000000000000 6.969941254295341 Atomic positions (fractional): 1 Er 0.31843998088794 0.17892501615693 0.32399359040902 167.259 > 1 2 Er 0.81843998088794 0.17892501615693 0.32399359040902 167.259 > 1 3 Er 0.31843998088794 0.67892501615693 0.32399359040902 167.259 > 1 4 Er 0.81843998088794 0.67892501615693 0.32399359040902 167.259 > 1 5 Er 0.31843998088794 0.07107498384307 0.82399359040902 167.259 > 5 6 Er 0.81843998088794 0.07107498384307 0.82399359040902 167.259 > 5 7 Er 0.31843998088794 0.57107498384307 0.82399359040902 167.259 > 5 8 Er 0.81843998088794 0.57107498384307 0.82399359040902 167.259 > 5 9 Er 0.18156001911206 0.42892501615693 0.17600640959098 167.259 > 9 10 Er 0.68156001911206 0.42892501615693 0.17600640959098 167.259 > 9 11 Er 0.18156001911206 0.92892501615693 0.17600640959098 167.259 > 9 12 Er 0.68156001911206 0.92892501615693 0.17600640959098 167.259 > 9 13 Er 0.18156001911206 0.32107498384307 0.67600640959098 167.259 > 13 14 Er 0.68156001911206 0.32107498384307 0.67600640959098 167.259 > 13 15 Er 0.18156001911206 0.82107498384307 0.67600640959098 167.259 > 13 16 Er 0.68156001911206 0.82107498384307 0.67600640959098 167.259 > 13 17 Se 0.42806135753829 0.44154576093371 0.29259295756941 78.960 > 17 18 Se 0.92806135753829 0.44154576093371 0.29259295756941 78.960 > 17 19 Se 0.42806135753829 0.94154576093371 0.29259295756941 78.960 > 17 20 Se 0.92806135753829 0.94154576093371 0.29259295756941 78.960 > 17 21 Se 0.42806135753829 0.30845423906629 0.79259295756941 78.960 > 21 22 Se 0.92806135753829 0.30845423906629 0.79259295756941 78.960 > 21 23 Se 0.42806135753829 0.80845423906629 0.79259295756941 78.960 > 21 24 Se 0.92806135753829 0.80845423906629 0.79259295756941 78.960 > 21 25 Se 0.07193864246171 0.19154576093371 0.20740704243059 78.960 > 25 26 Se 0.57193864246171 0.19154576093371 0.20740704243059 78.960 > 25 27 Se 0.07193864246171 0.69154576093371 0.20740704243059 78.960 > 25 28 Se 0.57193864246171 0.69154576093371 0.20740704243059 78.960 > 25 29 Se 0.07193864246171 0.05845423906629 0.70740704243059 78.960 > 29 30 Se 0.57193864246171 0.05845423906629 0.70740704243059 78.960 > 29 31 Se 0.07193864246171 0.55845423906629 0.70740704243059 78.960 > 29 32 Se 0.57193864246171 0.55845423906629 0.70740704243059 78.960 > 29 33 O 0.33762188798989 0.40303038924226 0.78399408598083 15.999 > 33 34 O 0.83762188798989 0.40303038924226 0.78399408598083 15.999 > 33 35 O 0.33762188798989 0.90303038924226 0.78399408598083 15.999 > 33 36 O 0.83762188798989 0.90303038924226 0.78399408598083 15.999 > 33 37 O 0.33681412472077 0.23224685124271 0.64757261323582 15.999 > 37 38 O 0.83681412472077 0.23224685124271 0.64757261323582 15.999 > 37 39 O 0.33681412472077 0.73224685124271 0.64757261323582 15.999 > 37 40 O 0.83681412472077 0.73224685124271 0.64757261323582 15.999 > 37 41 O 0.00808843575504 0.34491606927449 0.63662332926847 15.999 > 41 42 O 0.50808843575504 0.34491606927449 0.63662332926847 15.999 > 41 43 O 0.00808843575504 0.84491606927449 0.63662332926847 15.999 > 41 44 O 0.50808843575504 0.84491606927449 0.63662332926847 15.999 > 41 45 O 0.16318587527923 0.48224685124271 0.85242738676418 15.999 > 45 46 O 0.66318587527923 0.48224685124271 0.85242738676418 15.999 > 45 47 O 0.16318587527923 0.98224685124271 0.85242738676418 15.999 > 45 48 O 0.66318587527923 0.98224685124271 0.85242738676418 15.999 > 45 49 O 0.33762188798989 0.34696961075774 0.28399408598083 15.999 > 49 50 O 0.83762188798989 0.34696961075774 0.28399408598083 15.999 > 49 51 O 0.33762188798989 0.84696961075774 0.28399408598083 15.999 > 49 52 O 0.83762188798989 0.84696961075774 0.28399408598083 15.999 > 49 53 O 0.49191156424496 0.09491606927449 0.86337667073153 15.999 > 53 54 O 0.99191156424496 0.09491606927449 0.86337667073153 15.999 > 53 55 O 0.49191156424496 0.59491606927449 0.86337667073153 15.999 > 53 56 O 0.99191156424496 0.59491606927449 0.86337667073153 15.999 > 53 57 O 0.16237811201011 0.15303038924226 0.71600591401917 15.999 > 57 58 O 0.66237811201011 0.15303038924226 0.71600591401917 15.999 > 57 59 O 0.16237811201011 0.65303038924226 0.71600591401917 15.999 > 57 60 O 0.66237811201011 0.65303038924226 0.71600591401917 15.999 > 57 61 O 0.33681412472077 0.01775314875729 0.14757261323582 15.999 > 61 62 O 0.83681412472077 0.01775314875729 0.14757261323582 15.999 > 61 63 O 0.33681412472077 0.51775314875729 0.14757261323582 15.999 > 61 64 O 0.83681412472077 0.51775314875729 0.14757261323582 15.999 > 61 65 O 0.16318587527923 0.26775314875729 0.35242738676418 15.999 > 65 66 O 0.66318587527923 0.26775314875729 0.35242738676418 15.999 > 65 67 O 0.16318587527923 0.76775314875729 0.35242738676418 15.999 > 65 68 O 0.66318587527923 0.76775314875729 0.35242738676418 15.999 > 65 69 O 0.16237811201011 0.09696961075774 0.21600591401916 15.999 > 69 70 O 0.66237811201011 0.09696961075774 0.21600591401916 15.999 > 69 71 O 0.16237811201011 0.59696961075774 0.21600591401916 15.999 > 69 72 O 0.66237811201011 0.59696961075774 0.21600591401916 15.999 > 69 73 O 0.49191156424496 0.15508393072551 0.36337667073153 15.999 > 73 74 O 0.99191156424496 0.15508393072551 0.36337667073153 15.999 > 73 75 O 0.49191156424496 0.65508393072551 0.36337667073153 15.999 > 73 76 O 0.99191156424496 0.65508393072551 0.36337667073153 15.999 > 73 77 O 0.00808843575504 0.40508393072551 0.13662332926847 15.999 > 77 78 O 0.50808843575504 0.40508393072551 0.13662332926847 15.999 > 77 79 O 0.00808843575504 0.90508393072551 0.13662332926847 15.999 > 77 80 O 0.50808843575504 0.90508393072551 0.13662332926847 15.999 > 77 81 F 0.33522101354819 0.05558661673055 0.52434091040095 18.998 > 81 82 F 0.83522101354819 0.05558661673055 0.52434091040095 18.998 > 81 83 F 0.33522101354819 0.55558661673055 0.52434091040095 18.998 > 81 84 F 0.83522101354819 0.55558661673055 0.52434091040095 18.998 > 81 85 F 0.33522101354819 0.19441338326945 0.02434091040095 18.998 > 85 86 F 0.83522101354819 0.19441338326945 0.02434091040095 18.998 > 85 87 F 0.33522101354819 0.69441338326945 0.02434091040095 18.998 > 85 88 F 0.83522101354819 0.69441338326945 0.02434091040095 18.998 > 85 89 F 0.16477898645181 0.44441338326945 0.47565908959905 18.998 > 89 90 F 0.66477898645181 0.44441338326945 0.47565908959905 18.998 > 89 91 F 0.16477898645181 0.94441338326945 0.47565908959905 18.998 > 89 92 F 0.66477898645181 0.94441338326945 0.47565908959905 18.998 > 89 93 F 0.16477898645181 0.30558661673055 0.97565908959905 18.998 > 93 94 F 0.66477898645181 0.30558661673055 0.97565908959905 18.998 > 93 95 F 0.16477898645181 0.80558661673055 0.97565908959905 18.998 > 93 96 F 0.66477898645181 0.80558661673055 0.97565908959905 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0818371 0.0000000 -0.0999189 0.0000000 3.7917355 0.0000000 -0.0999179 0.0000000 3.5294192 -------------------------- Born effective charges -------------------------- 1 Er 4.4483800 -0.0300903 0.0747241 -0.0980684 3.9324964 0.2608872 -0.2447705 -0.2282934 3.7964540 2 Er 4.4483800 0.0300903 0.0747241 0.0980684 3.9324964 -0.2608872 -0.2447705 0.2282934 3.7964540 3 Er 4.4483800 0.0300903 0.0747241 0.0980684 3.9324964 -0.2608872 -0.2447705 0.2282934 3.7964540 4 Er 4.4483800 -0.0300903 0.0747241 -0.0980684 3.9324964 0.2608872 -0.2447705 -0.2282934 3.7964540 5 Se 3.6324055 -0.0911505 -0.4143689 -0.4107132 3.0592763 -0.2515951 -0.2179490 -0.3343190 2.6196720 6 Se 3.6324055 0.0911505 -0.4143689 0.4107132 3.0592763 0.2515951 -0.2179490 0.3343190 2.6196720 7 Se 3.6324055 0.0911505 -0.4143689 0.4107132 3.0592763 0.2515951 -0.2179490 0.3343190 2.6196720 8 Se 3.6324055 -0.0911505 -0.4143689 -0.4107132 3.0592763 -0.2515951 -0.2179490 -0.3343190 2.6196720 9 O -2.1722538 0.6145644 -0.3139108 0.6766516 -2.4099801 -0.0637129 0.0940326 -0.4575040 -0.9156602 10 O -2.0369179 -0.1509056 -0.4780223 -0.7248949 -1.9963964 -0.7485285 -0.3614008 -0.3281851 -1.9571583 11 O -2.8515255 -0.4064364 0.9207130 -0.2552893 -1.1912501 0.4202363 0.3987880 0.3707523 -1.5587739 12 O -2.0369179 0.1509056 -0.4780223 0.7248949 -1.9963964 0.7485285 -0.3614008 0.3281851 -1.9571583 13 O -2.1722538 -0.6145644 -0.3139108 -0.6766516 -2.4099801 0.0637129 0.0940326 0.4575040 -0.9156602 14 O -2.8515255 0.4064364 0.9207130 0.2552893 -1.1912501 -0.4202363 0.3987880 -0.3707523 -1.5587739 15 O -2.1722538 -0.6145644 -0.3139108 -0.6766516 -2.4099801 0.0637129 0.0940326 0.4575040 -0.9156602 16 O -2.0369179 0.1509056 -0.4780223 0.7248949 -1.9963964 0.7485285 -0.3614008 0.3281851 -1.9571583 17 O -2.0369179 -0.1509056 -0.4780223 -0.7248949 -1.9963964 -0.7485285 -0.3614008 -0.3281851 -1.9571583 18 O -2.1722538 0.6145644 -0.3139108 0.6766516 -2.4099801 -0.0637129 0.0940326 -0.4575040 -0.9156602 19 O -2.8515255 -0.4064364 0.9207130 -0.2552893 -1.1912501 0.4202363 0.3987880 0.3707523 -1.5587739 20 O -2.8515255 0.4064364 0.9207130 0.2552893 -1.1912501 -0.4202363 0.3987880 -0.3707523 -1.5587739 21 F -1.0200883 0.0735195 0.2108648 0.1085884 -1.3941461 0.2197431 0.3312996 0.0597539 -1.9845336 22 F -1.0200883 -0.0735195 0.2108648 -0.1085884 -1.3941461 -0.2197431 0.3312996 -0.0597539 -1.9845336 23 F -1.0200883 0.0735195 0.2108648 0.1085884 -1.3941461 0.2197431 0.3312996 0.0597539 -1.9845336 24 F -1.0200883 -0.0735195 0.2108648 -0.1085884 -1.3941461 -0.2197431 0.3312996 -0.0597539 -1.9845336 ---------------------------------------------------------------------------- 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 37, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) 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 2026-01-08 13:13:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:13:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.519367940014968 0.000000000000000 0.000000000000000 b 0.000000000000000 6.776794640000002 0.000000000000000 c -1.104008835511654 0.000000000000000 6.969941254295341 Atomic positions (fractional): 1 Er 0.63687996177588 0.35785003231387 0.32399359040902 167.259 2 Er 0.63687996177588 0.14214996768613 0.82399359040902 167.259 3 Er 0.36312003822412 0.85785003231387 0.17600640959098 167.259 4 Er 0.36312003822412 0.64214996768613 0.67600640959098 167.259 5 Se 0.85612271507658 0.88309152186742 0.29259295756941 78.960 6 Se 0.85612271507658 0.61690847813258 0.79259295756941 78.960 7 Se 0.14387728492342 0.38309152186742 0.20740704243059 78.960 8 Se 0.14387728492342 0.11690847813258 0.70740704243059 78.960 9 O 0.67524377597978 0.80606077848452 0.78399408598083 15.999 10 O 0.67362824944155 0.46449370248541 0.64757261323582 15.999 11 O 0.01617687151008 0.68983213854898 0.63662332926847 15.999 12 O 0.32637175055845 0.96449370248541 0.85242738676418 15.999 13 O 0.67524377597978 0.69393922151548 0.28399408598083 15.999 14 O 0.98382312848992 0.18983213854898 0.86337667073153 15.999 15 O 0.32475622402022 0.30606077848452 0.71600591401917 15.999 16 O 0.67362824944155 0.03550629751459 0.14757261323582 15.999 17 O 0.32637175055845 0.53550629751459 0.35242738676418 15.999 18 O 0.32475622402022 0.19393922151548 0.21600591401916 15.999 19 O 0.98382312848992 0.31016786145102 0.36337667073153 15.999 20 O 0.01617687151008 0.81016786145102 0.13662332926847 15.999 21 F 0.67044202709638 0.11117323346110 0.52434091040095 18.998 22 F 0.67044202709638 0.38882676653890 0.02434091040095 18.998 23 F 0.32955797290362 0.88882676653890 0.47565908959905 18.998 24 F 0.32955797290362 0.61117323346110 0.97565908959905 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.038735880029936 0.000000000000000 0.000000000000000 b 0.000000000000000 13.553589280000004 0.000000000000000 c -1.104008835511654 0.000000000000000 6.969941254295341 Atomic positions (fractional): 1 Er 0.31843998088794 0.17892501615693 0.32399359040902 167.259 > 1 2 Er 0.81843998088794 0.17892501615693 0.32399359040902 167.259 > 1 3 Er 0.31843998088794 0.67892501615693 0.32399359040902 167.259 > 1 4 Er 0.81843998088794 0.67892501615693 0.32399359040902 167.259 > 1 5 Er 0.31843998088794 0.07107498384307 0.82399359040902 167.259 > 5 6 Er 0.81843998088794 0.07107498384307 0.82399359040902 167.259 > 5 7 Er 0.31843998088794 0.57107498384307 0.82399359040902 167.259 > 5 8 Er 0.81843998088794 0.57107498384307 0.82399359040902 167.259 > 5 9 Er 0.18156001911206 0.42892501615693 0.17600640959098 167.259 > 9 10 Er 0.68156001911206 0.42892501615693 0.17600640959098 167.259 > 9 11 Er 0.18156001911206 0.92892501615693 0.17600640959098 167.259 > 9 12 Er 0.68156001911206 0.92892501615693 0.17600640959098 167.259 > 9 13 Er 0.18156001911206 0.32107498384307 0.67600640959098 167.259 > 13 14 Er 0.68156001911206 0.32107498384307 0.67600640959098 167.259 > 13 15 Er 0.18156001911206 0.82107498384307 0.67600640959098 167.259 > 13 16 Er 0.68156001911206 0.82107498384307 0.67600640959098 167.259 > 13 17 Se 0.42806135753829 0.44154576093371 0.29259295756941 78.960 > 17 18 Se 0.92806135753829 0.44154576093371 0.29259295756941 78.960 > 17 19 Se 0.42806135753829 0.94154576093371 0.29259295756941 78.960 > 17 20 Se 0.92806135753829 0.94154576093371 0.29259295756941 78.960 > 17 21 Se 0.42806135753829 0.30845423906629 0.79259295756941 78.960 > 21 22 Se 0.92806135753829 0.30845423906629 0.79259295756941 78.960 > 21 23 Se 0.42806135753829 0.80845423906629 0.79259295756941 78.960 > 21 24 Se 0.92806135753829 0.80845423906629 0.79259295756941 78.960 > 21 25 Se 0.07193864246171 0.19154576093371 0.20740704243059 78.960 > 25 26 Se 0.57193864246171 0.19154576093371 0.20740704243059 78.960 > 25 27 Se 0.07193864246171 0.69154576093371 0.20740704243059 78.960 > 25 28 Se 0.57193864246171 0.69154576093371 0.20740704243059 78.960 > 25 29 Se 0.07193864246171 0.05845423906629 0.70740704243059 78.960 > 29 30 Se 0.57193864246171 0.05845423906629 0.70740704243059 78.960 > 29 31 Se 0.07193864246171 0.55845423906629 0.70740704243059 78.960 > 29 32 Se 0.57193864246171 0.55845423906629 0.70740704243059 78.960 > 29 33 O 0.33762188798989 0.40303038924226 0.78399408598083 15.999 > 33 34 O 0.83762188798989 0.40303038924226 0.78399408598083 15.999 > 33 35 O 0.33762188798989 0.90303038924226 0.78399408598083 15.999 > 33 36 O 0.83762188798989 0.90303038924226 0.78399408598083 15.999 > 33 37 O 0.33681412472077 0.23224685124271 0.64757261323582 15.999 > 37 38 O 0.83681412472077 0.23224685124271 0.64757261323582 15.999 > 37 39 O 0.33681412472077 0.73224685124271 0.64757261323582 15.999 > 37 40 O 0.83681412472077 0.73224685124271 0.64757261323582 15.999 > 37 41 O 0.00808843575504 0.34491606927449 0.63662332926847 15.999 > 41 42 O 0.50808843575504 0.34491606927449 0.63662332926847 15.999 > 41 43 O 0.00808843575504 0.84491606927449 0.63662332926847 15.999 > 41 44 O 0.50808843575504 0.84491606927449 0.63662332926847 15.999 > 41 45 O 0.16318587527923 0.48224685124271 0.85242738676418 15.999 > 45 46 O 0.66318587527923 0.48224685124271 0.85242738676418 15.999 > 45 47 O 0.16318587527923 0.98224685124271 0.85242738676418 15.999 > 45 48 O 0.66318587527923 0.98224685124271 0.85242738676418 15.999 > 45 49 O 0.33762188798989 0.34696961075774 0.28399408598083 15.999 > 49 50 O 0.83762188798989 0.34696961075774 0.28399408598083 15.999 > 49 51 O 0.33762188798989 0.84696961075774 0.28399408598083 15.999 > 49 52 O 0.83762188798989 0.84696961075774 0.28399408598083 15.999 > 49 53 O 0.49191156424496 0.09491606927449 0.86337667073153 15.999 > 53 54 O 0.99191156424496 0.09491606927449 0.86337667073153 15.999 > 53 55 O 0.49191156424496 0.59491606927449 0.86337667073153 15.999 > 53 56 O 0.99191156424496 0.59491606927449 0.86337667073153 15.999 > 53 57 O 0.16237811201011 0.15303038924226 0.71600591401917 15.999 > 57 58 O 0.66237811201011 0.15303038924226 0.71600591401917 15.999 > 57 59 O 0.16237811201011 0.65303038924226 0.71600591401917 15.999 > 57 60 O 0.66237811201011 0.65303038924226 0.71600591401917 15.999 > 57 61 O 0.33681412472077 0.01775314875729 0.14757261323582 15.999 > 61 62 O 0.83681412472077 0.01775314875729 0.14757261323582 15.999 > 61 63 O 0.33681412472077 0.51775314875729 0.14757261323582 15.999 > 61 64 O 0.83681412472077 0.51775314875729 0.14757261323582 15.999 > 61 65 O 0.16318587527923 0.26775314875729 0.35242738676418 15.999 > 65 66 O 0.66318587527923 0.26775314875729 0.35242738676418 15.999 > 65 67 O 0.16318587527923 0.76775314875729 0.35242738676418 15.999 > 65 68 O 0.66318587527923 0.76775314875729 0.35242738676418 15.999 > 65 69 O 0.16237811201011 0.09696961075774 0.21600591401916 15.999 > 69 70 O 0.66237811201011 0.09696961075774 0.21600591401916 15.999 > 69 71 O 0.16237811201011 0.59696961075774 0.21600591401916 15.999 > 69 72 O 0.66237811201011 0.59696961075774 0.21600591401916 15.999 > 69 73 O 0.49191156424496 0.15508393072551 0.36337667073153 15.999 > 73 74 O 0.99191156424496 0.15508393072551 0.36337667073153 15.999 > 73 75 O 0.49191156424496 0.65508393072551 0.36337667073153 15.999 > 73 76 O 0.99191156424496 0.65508393072551 0.36337667073153 15.999 > 73 77 O 0.00808843575504 0.40508393072551 0.13662332926847 15.999 > 77 78 O 0.50808843575504 0.40508393072551 0.13662332926847 15.999 > 77 79 O 0.00808843575504 0.90508393072551 0.13662332926847 15.999 > 77 80 O 0.50808843575504 0.90508393072551 0.13662332926847 15.999 > 77 81 F 0.33522101354819 0.05558661673055 0.52434091040095 18.998 > 81 82 F 0.83522101354819 0.05558661673055 0.52434091040095 18.998 > 81 83 F 0.33522101354819 0.55558661673055 0.52434091040095 18.998 > 81 84 F 0.83522101354819 0.55558661673055 0.52434091040095 18.998 > 81 85 F 0.33522101354819 0.19441338326945 0.02434091040095 18.998 > 85 86 F 0.83522101354819 0.19441338326945 0.02434091040095 18.998 > 85 87 F 0.33522101354819 0.69441338326945 0.02434091040095 18.998 > 85 88 F 0.83522101354819 0.69441338326945 0.02434091040095 18.998 > 85 89 F 0.16477898645181 0.44441338326945 0.47565908959905 18.998 > 89 90 F 0.66477898645181 0.44441338326945 0.47565908959905 18.998 > 89 91 F 0.16477898645181 0.94441338326945 0.47565908959905 18.998 > 89 92 F 0.66477898645181 0.94441338326945 0.47565908959905 18.998 > 89 93 F 0.16477898645181 0.30558661673055 0.97565908959905 18.998 > 93 94 F 0.66477898645181 0.30558661673055 0.97565908959905 18.998 > 93 95 F 0.16477898645181 0.80558661673055 0.97565908959905 18.998 > 93 96 F 0.66477898645181 0.80558661673055 0.97565908959905 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0818371 0.0000000 -0.0999189 0.0000000 3.7917355 0.0000000 -0.0999179 0.0000000 3.5294192 -------------------------- Born effective charges -------------------------- 1 Er 4.4483800 -0.0300903 0.0747241 -0.0980684 3.9324964 0.2608872 -0.2447705 -0.2282934 3.7964540 2 Er 4.4483800 0.0300903 0.0747241 0.0980684 3.9324964 -0.2608872 -0.2447705 0.2282934 3.7964540 3 Er 4.4483800 0.0300903 0.0747241 0.0980684 3.9324964 -0.2608872 -0.2447705 0.2282934 3.7964540 4 Er 4.4483800 -0.0300903 0.0747241 -0.0980684 3.9324964 0.2608872 -0.2447705 -0.2282934 3.7964540 5 Se 3.6324055 -0.0911505 -0.4143689 -0.4107132 3.0592763 -0.2515951 -0.2179490 -0.3343190 2.6196720 6 Se 3.6324055 0.0911505 -0.4143689 0.4107132 3.0592763 0.2515951 -0.2179490 0.3343190 2.6196720 7 Se 3.6324055 0.0911505 -0.4143689 0.4107132 3.0592763 0.2515951 -0.2179490 0.3343190 2.6196720 8 Se 3.6324055 -0.0911505 -0.4143689 -0.4107132 3.0592763 -0.2515951 -0.2179490 -0.3343190 2.6196720 9 O -2.1722538 0.6145644 -0.3139108 0.6766516 -2.4099801 -0.0637129 0.0940326 -0.4575040 -0.9156602 10 O -2.0369179 -0.1509056 -0.4780223 -0.7248949 -1.9963964 -0.7485285 -0.3614008 -0.3281851 -1.9571583 11 O -2.8515255 -0.4064364 0.9207130 -0.2552893 -1.1912501 0.4202363 0.3987880 0.3707523 -1.5587739 12 O -2.0369179 0.1509056 -0.4780223 0.7248949 -1.9963964 0.7485285 -0.3614008 0.3281851 -1.9571583 13 O -2.1722538 -0.6145644 -0.3139108 -0.6766516 -2.4099801 0.0637129 0.0940326 0.4575040 -0.9156602 14 O -2.8515255 0.4064364 0.9207130 0.2552893 -1.1912501 -0.4202363 0.3987880 -0.3707523 -1.5587739 15 O -2.1722538 -0.6145644 -0.3139108 -0.6766516 -2.4099801 0.0637129 0.0940326 0.4575040 -0.9156602 16 O -2.0369179 0.1509056 -0.4780223 0.7248949 -1.9963964 0.7485285 -0.3614008 0.3281851 -1.9571583 17 O -2.0369179 -0.1509056 -0.4780223 -0.7248949 -1.9963964 -0.7485285 -0.3614008 -0.3281851 -1.9571583 18 O -2.1722538 0.6145644 -0.3139108 0.6766516 -2.4099801 -0.0637129 0.0940326 -0.4575040 -0.9156602 19 O -2.8515255 -0.4064364 0.9207130 -0.2552893 -1.1912501 0.4202363 0.3987880 0.3707523 -1.5587739 20 O -2.8515255 0.4064364 0.9207130 0.2552893 -1.1912501 -0.4202363 0.3987880 -0.3707523 -1.5587739 21 F -1.0200883 0.0735195 0.2108648 0.1085884 -1.3941461 0.2197431 0.3312996 0.0597539 -1.9845336 22 F -1.0200883 -0.0735195 0.2108648 -0.1085884 -1.3941461 -0.2197431 0.3312996 -0.0597539 -1.9845336 23 F -1.0200883 0.0735195 0.2108648 0.1085884 -1.3941461 0.2197431 0.3312996 0.0597539 -1.9845336 24 F -1.0200883 -0.0735195 0.2108648 -0.1085884 -1.3941461 -0.2197431 0.3312996 -0.0597539 -1.9845336 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) 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 ... [ 8 7 7 ] 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: 0.61, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.537 ( 0.000 0.000 0.000) 0.000 10.947 ( 0.000 0.000 0.000) 0.000 11.174 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.751 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.625 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.025 ( 0.000 0.000 0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 14.279 ( 0.000 0.000 0.000) 0.000 18.696 ( 0.000 0.000 0.000) 0.000 18.926 ( 0.000 0.000 0.000) 0.000 19.769 ( 0.000 0.000 0.000) 0.000 19.883 ( 0.000 0.000 0.000) 0.000 21.543 ( 0.000 0.000 0.000) 0.000 21.699 ( 0.000 0.000 0.000) 0.000 21.780 ( 0.000 0.000 0.000) 0.000 21.965 ( 0.000 0.000 0.000) 0.000 23.525 ( 0.000 0.000 0.000) 0.000 23.734 ( 0.000 0.000 0.000) 0.000 23.852 ( 0.000 0.000 0.000) 0.000 24.361 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 20.176 0.000 13.044) 24.025 0.478 ( 23.676 0.000 2.178) 23.776 1.093 ( 54.272 0.000 -2.568) 54.333 2.009 ( 12.851 0.000 4.221) 13.526 2.153 ( -0.496 0.000 0.214) 0.541 2.837 ( 9.202 0.000 -2.827) 9.627 2.969 ( 5.249 0.000 -0.884) 5.323 2.979 ( -9.008 0.000 -1.324) 9.105 3.191 ( -0.052 0.000 -0.408) 0.411 3.227 ( 3.181 0.000 -2.410) 3.991 3.463 ( -2.285 0.000 -1.627) 2.805 3.516 ( 0.235 0.000 -1.913) 1.928 3.690 ( -3.448 0.000 -3.199) 4.704 3.710 ( -0.240 0.000 3.630) 3.637 3.786 ( 5.678 0.000 3.663) 6.757 3.992 ( 6.562 0.000 2.644) 7.074 4.180 ( -2.116 0.000 1.945) 2.874 4.234 ( -12.197 0.000 8.992) 15.153 4.270 ( 7.182 0.000 0.323) 7.189 4.768 ( -5.695 0.000 -2.132) 6.081 4.787 ( 11.825 0.000 -5.563) 13.068 5.145 ( -6.223 0.000 -1.468) 6.393 5.438 ( 5.899 0.000 6.654) 8.892 5.457 ( -0.848 0.000 6.188) 6.246 5.742 ( 0.723 0.000 -4.934) 4.987 5.988 ( 0.704 0.000 -0.724) 1.010 6.142 ( 3.173 0.000 -1.491) 3.506 6.185 ( -0.854 0.000 0.940) 1.270 6.359 ( -1.383 0.000 -0.982) 1.696 6.624 ( 4.839 0.000 1.073) 4.957 6.853 ( 3.810 0.000 3.489) 5.166 7.122 ( -4.039 0.000 0.021) 4.039 7.137 ( -6.078 0.000 12.186) 13.618 7.671 ( 6.395 0.000 0.249) 6.400 7.795 ( -2.483 0.000 2.115) 3.262 7.959 ( 3.921 0.000 -26.278) 26.569 8.094 ( -3.131 0.000 -0.567) 3.182 8.303 ( 0.894 0.000 -0.256) 0.930 8.430 ( -1.761 0.000 1.216) 2.140 8.776 ( -0.498 0.000 3.846) 3.878 9.353 ( -0.707 0.000 -5.461) 5.506 9.526 ( 6.867 0.000 -34.800) 35.471 9.833 ( 1.330 0.000 0.099) 1.334 9.963 ( 3.304 0.000 -1.191) 3.512 10.283 ( 0.429 0.000 0.483) 0.646 10.542 ( 0.305 0.000 0.844) 0.898 10.964 ( -1.696 0.000 -13.012) 13.122 11.138 ( -3.803 0.000 0.388) 3.822 11.675 ( -5.357 0.000 20.021) 20.725 11.785 ( 0.821 0.000 10.202) 10.235 12.491 ( 2.445 0.000 -0.598) 2.517 12.621 ( -0.586 0.000 1.157) 1.297 12.958 ( 0.527 0.000 0.227) 0.574 13.175 ( 0.522 0.000 15.401) 15.410 13.437 ( -15.429 0.000 -3.873) 15.908 13.810 ( -14.532 0.000 2.243) 14.704 13.990 ( -3.403 0.000 -0.745) 3.484 14.026 ( 8.004 0.000 2.624) 8.423 14.555 ( 16.612 0.000 -2.422) 16.787 15.348 ( -5.634 0.000 25.711) 26.321 18.662 ( -3.284 0.000 1.303) 3.533 18.941 ( 1.801 0.000 -1.713) 2.486 19.827 ( 5.973 0.000 -2.959) 6.666 19.876 ( -4.927 0.000 11.141) 12.181 21.464 ( -5.732 0.000 -0.783) 5.785 21.898 ( 9.062 0.000 3.760) 9.811 21.956 ( -1.023 0.000 1.235) 1.603 23.322 ( 0.990 0.000 20.596) 20.620 23.741 ( 0.643 0.000 -0.218) 0.678 23.836 ( -0.978 0.000 -4.292) 4.402 24.382 ( 1.835 0.000 1.249) 2.220 24.621 ( 15.133 0.000 -90.000) 91.264 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 19.349 0.000 11.810) 22.668 0.894 ( 17.991 0.000 3.149) 18.264 1.872 ( 14.282 0.000 -3.028) 14.600 2.247 ( 7.465 0.000 7.816) 10.808 2.275 ( 25.218 0.000 -0.458) 25.222 2.829 ( -4.344 0.000 -2.639) 5.083 3.001 ( 7.664 0.000 -5.261) 9.296 3.005 ( -0.810 0.000 -3.195) 3.296 3.278 ( 7.732 0.000 2.212) 8.043 3.282 ( 3.000 0.000 -7.105) 7.712 3.502 ( -1.131 0.000 -0.696) 1.328 3.505 ( 7.011 0.000 -0.828) 7.060 3.569 ( -6.544 0.000 -2.933) 7.171 3.712 ( -0.671 0.000 2.041) 2.148 3.887 ( 1.388 0.000 1.878) 2.335 4.060 ( 2.768 0.000 2.176) 3.521 4.125 ( 1.542 0.000 0.330) 1.577 4.160 ( -0.660 0.000 5.266) 5.307 4.442 ( 0.980 0.000 -1.273) 1.607 4.709 ( 6.722 0.000 1.507) 6.889 4.963 ( 8.334 0.000 -4.701) 9.568 5.053 ( -3.136 0.000 0.107) 3.138 5.457 ( -1.687 0.000 7.865) 8.044 5.546 ( 3.106 0.000 6.708) 7.393 5.738 ( 1.064 0.000 -6.119) 6.211 5.980 ( -0.462 0.000 -1.994) 2.046 6.153 ( -2.683 0.000 -2.934) 3.976 6.228 ( 4.020 0.000 3.204) 5.141 6.381 ( 5.179 0.000 -1.823) 5.490 6.653 ( -2.845 0.000 0.914) 2.988 6.887 ( -3.081 0.000 2.318) 3.855 7.015 ( -9.598 0.000 5.851) 11.241 7.106 ( 3.474 0.000 0.740) 3.552 7.743 ( -3.664 0.000 4.132) 5.523 7.809 ( 6.993 0.000 0.634) 7.021 7.900 ( -3.228 0.000 -17.450) 17.746 8.023 ( -3.509 0.000 -0.546) 3.552 8.324 ( 1.417 0.000 -0.331) 1.455 8.453 ( 4.168 0.000 2.082) 4.659 8.775 ( -0.876 0.000 3.769) 3.869 9.320 ( -0.881 0.000 -4.806) 4.886 9.552 ( 2.858 0.000 -10.788) 11.160 9.852 ( 0.746 0.000 0.075) 0.750 10.074 ( 8.630 0.000 -2.012) 8.861 10.292 ( 0.148 0.000 1.189) 1.198 10.555 ( 0.782 0.000 1.334) 1.546 10.865 ( -5.393 0.000 -5.522) 7.719 11.029 ( -7.732 0.000 0.488) 7.747 11.638 ( -2.487 0.000 5.855) 6.361 11.831 ( 1.456 0.000 4.861) 5.075 12.557 ( 4.474 0.000 -0.695) 4.528 12.612 ( -0.834 0.000 2.063) 2.225 12.983 ( 2.026 0.000 0.036) 2.027 13.145 ( -13.312 0.000 -3.242) 13.702 13.240 ( 2.297 0.000 7.067) 7.431 13.541 ( -12.084 0.000 0.280) 12.087 13.901 ( -5.221 0.000 -1.111) 5.338 14.180 ( 5.863 0.000 2.521) 6.382 14.824 ( 11.720 0.000 -2.020) 11.893 15.308 ( -3.976 0.000 9.746) 10.526 18.596 ( -3.623 0.000 1.532) 3.934 18.980 ( 2.794 0.000 -2.712) 3.893 19.799 ( -5.675 0.000 7.301) 9.247 19.952 ( 7.363 0.000 -3.866) 8.316 21.362 ( -4.404 0.000 -0.134) 4.406 21.939 ( -1.060 0.000 1.568) 1.893 22.098 ( 9.732 0.000 4.373) 10.669 23.425 ( 4.849 0.000 7.311) 8.773 23.753 ( 0.672 0.000 -0.370) 0.767 23.793 ( -1.704 0.000 -6.014) 6.251 24.431 ( 2.580 0.000 1.777) 3.133 24.641 ( 6.618 0.000 -35.174) 35.791 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 7.551 0.000 3.177) 8.192 1.236 ( 17.425 0.000 9.844) 20.013 1.818 ( -9.355 0.000 -4.387) 10.333 2.371 ( 6.224 0.000 4.309) 7.570 2.737 ( -7.112 0.000 1.579) 7.285 2.857 ( 23.814 0.000 -4.170) 24.177 2.977 ( 0.420 0.000 0.799) 0.903 3.107 ( 5.433 0.000 -8.411) 10.014 3.294 ( 1.028 0.000 -5.132) 5.234 3.413 ( 4.344 0.000 2.651) 5.089 3.447 ( -4.695 0.000 -1.050) 4.811 3.478 ( -0.905 0.000 -0.435) 1.004 3.690 ( 9.785 0.000 -0.390) 9.793 3.698 ( -0.972 0.000 1.314) 1.634 3.890 ( -0.003 0.000 1.955) 1.955 4.121 ( 1.191 0.000 0.906) 1.496 4.151 ( 1.934 0.000 -0.897) 2.132 4.251 ( 4.840 0.000 1.850) 5.181 4.346 ( -4.301 0.000 0.117) 4.302 4.942 ( 9.243 0.000 1.432) 9.353 5.034 ( 2.656 0.000 0.109) 2.658 5.088 ( 5.939 0.000 -3.540) 6.915 5.422 ( -4.096 0.000 4.931) 6.410 5.591 ( -0.312 0.000 4.777) 4.787 5.777 ( 4.782 0.000 -2.139) 5.239 5.983 ( 1.512 0.000 -1.390) 2.054 6.061 ( -4.826 0.000 -2.204) 5.306 6.331 ( 5.171 0.000 3.207) 6.085 6.500 ( 6.982 0.000 -3.875) 7.985 6.554 ( -6.051 0.000 -0.243) 6.056 6.782 ( -7.051 0.000 0.807) 7.097 6.814 ( -12.167 0.000 4.341) 12.918 7.190 ( 3.533 0.000 0.367) 3.552 7.690 ( -3.207 0.000 6.329) 7.096 7.774 ( -3.771 0.000 -12.280) 12.846 7.895 ( 0.760 0.000 0.002) 0.760 7.994 ( 1.478 0.000 0.340) 1.516 8.350 ( 1.144 0.000 -0.251) 1.171 8.571 ( 6.231 0.000 1.057) 6.320 8.764 ( -1.196 0.000 2.102) 2.418 9.296 ( -0.481 0.000 -2.500) 2.546 9.565 ( 0.720 0.000 -3.514) 3.587 9.865 ( 0.493 0.000 0.063) 0.497 10.251 ( 7.633 0.000 -4.393) 8.807 10.310 ( 3.451 0.000 3.940) 5.238 10.583 ( 1.797 0.000 1.527) 2.358 10.741 ( -5.661 0.000 -2.980) 6.397 10.852 ( -10.332 0.000 0.277) 10.336 11.617 ( -1.020 0.000 1.909) 2.164 11.866 ( 1.027 0.000 1.881) 2.143 12.601 ( -0.524 0.000 0.751) 0.916 12.647 ( 4.173 0.000 1.261) 4.360 12.927 ( -8.011 0.000 -2.762) 8.474 13.029 ( 2.380 0.000 -0.090) 2.381 13.294 ( 1.493 0.000 3.296) 3.618 13.366 ( -6.034 0.000 -0.217) 6.038 13.802 ( -4.153 0.000 -0.844) 4.238 14.262 ( 2.295 0.000 1.425) 2.702 14.986 ( 5.674 0.000 -1.128) 5.785 15.264 ( -2.465 0.000 3.687) 4.435 18.544 ( -2.078 0.000 0.940) 2.281 19.023 ( 2.242 0.000 -2.216) 3.152 19.720 ( -4.004 0.000 4.363) 5.922 20.062 ( 4.699 0.000 -2.578) 5.359 21.298 ( -2.228 0.000 0.112) 2.231 21.927 ( -0.552 0.000 1.018) 1.158 22.271 ( 6.461 0.000 2.914) 7.088 23.536 ( 4.633 0.000 3.551) 5.837 23.738 ( -2.195 0.000 -4.994) 5.455 23.761 ( 0.259 0.000 -0.322) 0.414 24.480 ( 1.816 0.000 1.266) 2.213 24.657 ( 2.811 0.000 -13.884) 14.166 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 0.000 0.000) 0.000 1.553 ( -0.000 0.000 -0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 2.520 ( -0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 -0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 -0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 -0.000) 0.000 3.453 ( 0.000 0.000 -0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 -0.000) 0.000 4.114 ( 0.000 0.000 -0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 -0.000) 0.000 5.855 ( -0.000 0.000 -0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 -0.000) 0.000 6.407 ( -0.000 0.000 -0.000) 0.000 6.479 ( 0.000 0.000 -0.000) 0.000 6.620 ( -0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 -0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 -0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 9.870 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 -0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 10.630 ( 0.000 0.000 0.000) 0.000 10.652 ( -0.000 0.000 -0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.879 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 12.700 ( 0.000 0.000 -0.000) 0.000 12.838 ( 0.000 0.000 -0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 -0.000) 0.000 13.313 ( 0.000 0.000 0.000) 0.000 13.758 ( 0.000 0.000 0.000) 0.000 14.285 ( 0.000 0.000 0.000) 0.000 15.038 ( 0.000 0.000 0.000) 0.000 15.245 ( 0.000 0.000 0.000) 0.000 18.525 ( 0.000 0.000 0.000) 0.000 19.043 ( 0.000 0.000 0.000) 0.000 19.686 ( 0.000 0.000 0.000) 0.000 20.104 ( 0.000 0.000 0.000) 0.000 21.277 ( 0.000 0.000 0.000) 0.000 21.924 ( 0.000 0.000 -0.000) 0.000 22.341 ( 0.000 0.000 0.000) 0.000 23.599 ( 0.000 0.000 0.000) 0.000 23.697 ( 0.000 0.000 -0.000) 0.000 23.763 ( 0.000 0.000 -0.000) 0.000 24.501 ( 0.000 0.000 -0.000) 0.000 24.663 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 24.420 0.000) 24.420 0.584 ( 0.000 27.414 0.000) 27.414 0.891 ( 0.000 40.920 0.000) 40.920 1.907 ( 0.000 4.701 0.000) 4.701 2.192 ( 0.000 2.326 0.000) 2.326 2.678 ( 0.000 -6.202 0.000) 6.202 2.883 ( 0.000 -2.419 0.000) 2.419 3.132 ( 0.000 3.994 0.000) 3.994 3.165 ( 0.000 -3.658 0.000) 3.658 3.220 ( 0.000 0.744 0.000) 0.744 3.392 ( 0.000 -8.948 0.000) 8.948 3.568 ( 0.000 -2.703 0.000) 2.703 3.665 ( 0.000 -3.261 0.000) 3.261 3.764 ( 0.000 4.335 0.000) 4.335 3.890 ( 0.000 1.254 0.000) 1.254 3.923 ( 0.000 1.995 0.000) 1.995 4.145 ( 0.000 11.643 0.000) 11.643 4.411 ( 0.000 1.072 0.000) 1.072 4.603 ( 0.000 -0.345 0.000) 0.345 4.789 ( 0.000 -4.133 0.000) 4.133 4.821 ( 0.000 -1.473 0.000) 1.473 5.247 ( 0.000 -2.532 0.000) 2.532 5.269 ( 0.000 -1.469 0.000) 1.469 5.446 ( 0.000 2.153 0.000) 2.153 5.775 ( 0.000 1.845 0.000) 1.845 5.924 ( 0.000 -5.219 0.000) 5.219 6.094 ( 0.000 -1.163 0.000) 1.163 6.214 ( 0.000 4.232 0.000) 4.232 6.353 ( 0.000 -2.992 0.000) 2.992 6.475 ( 0.000 5.606 0.000) 5.606 6.604 ( 0.000 3.296 0.000) 3.296 6.791 ( 0.000 -1.029 0.000) 1.029 7.073 ( 0.000 -6.258 0.000) 6.258 7.389 ( 0.000 4.725 0.000) 4.725 7.476 ( 0.000 -13.016 0.000) 13.016 7.785 ( 0.000 -4.233 0.000) 4.233 8.300 ( 0.000 0.984 0.000) 0.984 8.460 ( 0.000 0.072 0.000) 0.072 8.638 ( 0.000 -1.701 0.000) 1.701 8.748 ( 0.000 6.366 0.000) 6.366 9.211 ( 0.000 1.754 0.000) 1.754 9.383 ( 0.000 2.390 0.000) 2.390 9.937 ( 0.000 0.847 0.000) 0.847 10.343 ( 0.000 5.670 0.000) 5.670 10.566 ( 0.000 2.563 0.000) 2.563 10.720 ( 0.000 1.825 0.000) 1.825 10.892 ( 0.000 -4.899 0.000) 4.899 11.148 ( 0.000 -2.717 0.000) 2.717 11.610 ( 0.000 2.161 0.000) 2.161 11.792 ( 0.000 3.834 0.000) 3.834 12.409 ( 0.000 -5.697 0.000) 5.697 12.594 ( 0.000 -3.083 0.000) 3.083 12.848 ( 0.000 0.621 0.000) 0.621 12.965 ( 0.000 0.868 0.000) 0.868 13.711 ( 0.000 0.584 0.000) 0.584 13.786 ( 0.000 -0.524 0.000) 0.524 14.000 ( 0.000 -0.248 0.000) 0.248 14.025 ( 0.000 -0.071 0.000) 0.071 14.301 ( 0.000 2.129 0.000) 2.129 14.833 ( 0.000 -4.707 0.000) 4.707 18.992 ( 0.000 5.922 0.000) 5.922 19.654 ( 0.000 -6.333 0.000) 6.333 20.033 ( 0.000 9.457 0.000) 9.457 20.485 ( 0.000 -0.139 0.000) 0.139 21.684 ( 0.000 -1.068 0.000) 1.068 21.795 ( 0.000 1.145 0.000) 1.145 21.839 ( 0.000 0.033 0.000) 0.033 21.941 ( 0.000 -2.262 0.000) 2.262 23.542 ( 0.000 1.589 0.000) 1.589 23.837 ( 0.000 -1.400 0.000) 1.400 24.357 ( 0.000 -0.353 0.000) 0.353 24.361 ( 0.000 -0.597 0.000) 0.597 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 12.479 19.793 8.185) 24.788 0.873 ( 15.603 25.035 0.236) 29.500 1.305 ( 41.042 20.170 -1.767) 45.764 2.027 ( 6.045 2.125 0.145) 6.409 2.243 ( 7.312 5.701 3.341) 9.855 2.766 ( 8.209 -6.921 -2.040) 10.929 2.924 ( 3.121 -2.302 -1.513) 4.163 3.041 ( -6.447 4.658 -0.681) 7.983 3.135 ( -1.223 -4.755 -0.545) 4.940 3.197 ( -1.446 -1.905 -3.845) 4.528 3.439 ( 2.713 -5.670 4.570) 7.772 3.495 ( -4.403 -0.815 -2.611) 5.184 3.668 ( -0.166 1.237 -4.757) 4.918 3.689 ( -2.272 -1.517 1.606) 3.169 3.872 ( 7.282 4.876 0.673) 8.790 4.079 ( -0.731 7.498 2.119) 7.825 4.239 ( -2.722 2.842 1.967) 4.399 4.258 ( 7.291 2.319 4.243) 8.748 4.457 ( -14.589 10.793 1.464) 18.206 4.743 ( 0.300 -1.837 -4.070) 4.475 4.805 ( 4.313 0.581 -2.290) 4.918 5.089 ( -7.423 -4.144 -2.021) 8.738 5.410 ( 5.691 -2.217 5.944) 8.522 5.472 ( 0.641 1.362 6.777) 6.942 5.756 ( 0.185 1.398 -6.342) 6.497 5.931 ( 1.100 -6.351 -1.900) 6.720 6.105 ( 1.400 -0.673 1.963) 2.504 6.186 ( -0.393 1.097 -1.018) 1.547 6.419 ( -1.895 3.345 0.466) 3.872 6.681 ( 7.212 3.905 2.917) 8.705 6.825 ( 6.123 -14.706 3.720) 16.358 6.831 ( 3.271 -3.872 2.157) 5.509 7.121 ( 5.779 -6.841 -2.975) 9.436 7.456 ( 9.452 -1.977 -5.143) 10.941 7.547 ( 6.726 -14.117 -0.185) 15.639 7.764 ( -2.657 -3.988 3.213) 5.769 8.295 ( -1.053 2.021 1.652) 2.814 8.378 ( -5.131 4.632 -5.328) 8.728 8.619 ( -1.251 6.047 -1.455) 6.344 8.789 ( 1.376 1.755 3.153) 3.862 9.280 ( 6.830 -4.178 -9.510) 12.432 9.375 ( -0.572 2.043 0.567) 2.196 9.971 ( 3.694 0.738 -0.327) 3.781 10.274 ( -11.915 12.260 -1.826) 17.193 10.388 ( -3.590 10.517 -8.836) 14.198 10.591 ( 0.166 4.513 -0.022) 4.516 10.913 ( -1.377 -4.547 -10.073) 11.137 11.149 ( -1.872 -0.342 -3.232) 3.751 11.666 ( -1.091 0.025 16.087) 16.124 11.819 ( 1.120 3.260 6.875) 7.690 12.423 ( 2.155 -6.313 0.907) 6.732 12.583 ( -1.006 -3.503 -0.392) 3.665 12.948 ( 1.330 -1.337 2.750) 3.335 13.025 ( 5.508 -5.246 7.980) 11.025 13.466 ( -14.226 2.462 -3.988) 14.978 13.825 ( -8.373 -0.542 2.570) 8.776 13.974 ( -2.751 -0.873 -0.848) 3.008 14.133 ( 4.797 6.090 0.083) 7.753 14.357 ( 14.787 -10.303 1.800) 18.112 15.069 ( 12.282 -12.039 5.797) 18.149 18.979 ( -1.932 6.074 -2.212) 6.747 19.359 ( -35.857 27.549 -3.284) 45.337 19.744 ( -8.741 0.976 11.503) 14.480 20.032 ( -0.049 8.596 1.149) 8.672 21.467 ( -6.922 0.396 0.631) 6.962 21.866 ( 5.871 -2.852 4.395) 7.869 21.966 ( 3.675 1.003 -1.068) 3.957 22.916 ( 36.195 -28.319 -4.115) 46.141 23.596 ( 5.117 -1.738 -6.806) 8.690 23.865 ( 1.958 -1.482 2.393) 3.428 24.308 ( 0.594 -2.600 -9.547) 9.912 24.495 ( 10.652 -3.484 -18.029) 21.228 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 15.949 13.158 10.207) 23.058 1.152 ( 12.806 20.612 2.161) 24.362 1.959 ( 9.916 8.109 -2.900) 13.134 2.152 ( 17.813 -1.709 -0.597) 17.905 2.452 ( 12.473 8.450 6.542) 16.425 2.880 ( -0.093 0.423 -1.197) 1.273 2.909 ( 3.808 -2.833 -4.783) 6.738 3.033 ( 2.226 1.875 -4.011) 4.956 3.123 ( 0.329 -11.224 -3.579) 11.785 3.219 ( 5.338 -4.183 0.335) 6.790 3.473 ( 3.850 -1.206 -0.076) 4.035 3.521 ( 2.466 -0.572 3.565) 4.372 3.623 ( -1.437 2.362 -6.316) 6.895 3.694 ( 0.956 -1.960 -0.842) 2.338 3.973 ( -4.415 5.580 5.199) 8.812 4.041 ( 4.038 1.568 0.780) 4.401 4.201 ( 4.625 6.177 -0.361) 7.725 4.293 ( -4.167 9.340 1.515) 10.339 4.504 ( 1.114 5.040 -0.940) 5.247 4.685 ( 7.467 -1.966 2.469) 8.107 4.936 ( 6.500 -2.537 -3.063) 7.620 4.979 ( -3.492 -5.936 -0.530) 6.907 5.451 ( -1.668 -0.511 7.421) 7.623 5.557 ( 3.766 0.730 6.130) 7.231 5.739 ( 1.126 0.101 -6.349) 6.449 5.954 ( 1.559 -3.376 -2.974) 4.761 6.155 ( -2.772 -0.141 -2.510) 3.742 6.158 ( 2.966 -2.216 2.487) 4.460 6.421 ( 2.020 1.504 0.864) 2.663 6.707 ( -4.323 1.789 -3.111) 5.618 6.828 ( -2.749 -4.696 6.034) 8.125 6.897 ( 0.973 -4.500 3.493) 5.779 7.155 ( 0.753 0.097 -2.586) 2.695 7.613 ( 5.183 -8.609 -1.214) 10.122 7.690 ( 4.656 -10.001 -0.466) 11.042 7.721 ( 0.177 -5.194 1.199) 5.333 8.229 ( -4.928 10.124 -2.989) 11.650 8.316 ( -0.399 0.459 -0.483) 0.776 8.603 ( 0.464 6.520 -0.972) 6.608 8.803 ( -0.505 2.375 3.474) 4.238 9.330 ( 0.900 0.820 -7.314) 7.415 9.409 ( 3.925 -4.737 -0.432) 6.167 10.055 ( 1.039 4.909 -1.011) 5.119 10.121 ( 1.704 8.783 -1.116) 9.016 10.371 ( 0.761 7.407 -3.064) 8.052 10.602 ( 0.605 4.197 1.156) 4.395 10.817 ( -5.789 -4.183 -4.129) 8.249 11.062 ( -5.945 2.231 -2.744) 6.917 11.666 ( -1.798 2.415 6.442) 7.111 11.861 ( 1.292 2.896 4.820) 5.769 12.489 ( 3.333 -7.570 2.345) 8.598 12.565 ( 0.106 -3.150 -1.339) 3.424 12.963 ( -0.586 -0.507 1.605) 1.782 13.105 ( 0.173 -7.140 3.865) 8.121 13.220 ( -8.307 4.711 -1.973) 9.752 13.617 ( -10.273 3.462 0.885) 10.876 13.892 ( -4.921 -0.709 -1.274) 5.133 14.251 ( 5.499 6.221 1.760) 8.487 14.633 ( 11.523 -14.929 0.696) 18.872 15.223 ( 3.292 -6.825 3.819) 8.485 18.800 ( -12.378 14.252 0.523) 18.884 19.061 ( -0.964 8.237 -2.288) 8.603 19.680 ( -4.173 -7.145 5.024) 9.680 20.051 ( 1.962 4.899 -1.021) 5.375 21.359 ( -4.503 0.289 0.907) 4.602 21.959 ( 3.235 0.605 0.557) 3.338 22.085 ( 7.285 0.064 3.440) 8.057 23.302 ( 11.639 -11.531 0.807) 16.404 23.648 ( 1.976 -2.480 -5.080) 5.988 23.906 ( 1.269 2.510 3.381) 4.398 24.302 ( 1.514 -7.310 -9.883) 12.386 24.621 ( 7.359 -1.811 -13.719) 15.672 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 8.311 11.084 6.548) 15.323 1.367 ( 12.294 13.495 5.374) 19.030 1.903 ( -8.086 7.971 -4.298) 12.141 2.358 ( 7.324 -0.448 0.249) 7.342 2.698 ( -1.229 -1.271 3.124) 3.590 2.913 ( -0.890 -4.313 -2.506) 5.067 3.000 ( 13.990 6.599 -0.533) 15.477 3.035 ( 1.767 -5.275 -5.473) 7.803 3.187 ( 5.688 -5.045 -3.776) 8.489 3.311 ( 2.619 -3.979 3.014) 5.637 3.519 ( -1.842 3.450 2.008) 4.396 3.601 ( 4.957 1.378 -2.012) 5.524 3.605 ( 1.681 -1.508 -2.106) 3.088 3.716 ( 2.140 -0.958 -1.728) 2.913 3.924 ( -0.283 2.580 4.189) 4.928 4.124 ( 3.206 1.038 0.744) 3.451 4.230 ( -1.407 7.718 -1.765) 8.042 4.347 ( 4.816 7.724 1.775) 9.273 4.399 ( -4.089 4.201 -0.795) 5.916 4.903 ( 3.381 -4.506 1.186) 5.757 4.994 ( 8.645 -2.074 0.934) 8.939 5.033 ( 4.611 -4.598 -2.209) 6.876 5.421 ( -2.916 0.252 3.977) 4.938 5.616 ( 0.930 1.428 3.702) 4.075 5.787 ( 4.666 0.660 -0.856) 4.789 5.964 ( 0.281 -1.909 -2.859) 3.449 6.076 ( -3.165 1.432 -2.193) 4.109 6.239 ( 4.298 -5.901 2.622) 7.757 6.437 ( -2.633 -4.097 -0.702) 4.921 6.618 ( -1.763 0.896 -2.988) 3.583 6.757 ( -5.015 -0.696 1.796) 5.372 6.845 ( -6.160 2.601 3.906) 7.743 7.186 ( 2.521 -0.503 -1.961) 3.233 7.607 ( -2.916 -6.863 1.091) 7.536 7.733 ( 1.435 -1.594 3.423) 4.040 7.780 ( 2.440 -7.391 -4.625) 9.054 8.157 ( -1.442 10.354 -1.783) 10.605 8.315 ( -0.051 -2.021 0.699) 2.139 8.633 ( 2.406 2.631 -0.631) 3.620 8.801 ( -0.525 2.893 2.141) 3.637 9.321 ( 0.074 2.885 -2.882) 4.079 9.469 ( 2.272 -4.697 -0.893) 5.293 10.019 ( -1.395 9.993 -0.319) 10.095 10.272 ( 9.268 -1.352 1.179) 9.440 10.384 ( 1.852 9.390 -3.291) 10.120 10.616 ( 0.016 2.729 1.757) 3.246 10.687 ( -6.004 -3.390 -1.684) 7.097 10.919 ( -7.527 4.823 -1.510) 9.067 11.651 ( -1.027 3.097 2.330) 4.009 11.894 ( 0.959 2.726 2.002) 3.516 12.515 ( -0.622 -8.234 1.665) 8.424 12.616 ( 4.300 -2.640 -0.085) 5.047 12.892 ( -5.632 -0.726 -1.495) 5.873 13.098 ( 1.057 -0.445 1.852) 2.179 13.162 ( -1.042 -1.420 -0.438) 1.815 13.478 ( -4.508 4.215 0.902) 6.237 13.798 ( -3.925 -0.271 -0.950) 4.047 14.332 ( 2.426 6.325 1.152) 6.871 14.791 ( 5.017 -15.364 0.355) 16.166 15.261 ( 0.545 -2.189 1.385) 2.647 18.640 ( -4.985 8.407 0.756) 9.804 19.068 ( 1.290 4.192 -2.323) 4.963 19.610 ( -3.804 -8.122 3.411) 9.595 20.087 ( 1.752 -0.293 -1.363) 2.239 21.300 ( -1.964 1.327 0.717) 2.476 22.009 ( 1.991 6.918 -0.573) 7.222 22.220 ( 4.994 -4.285 3.219) 7.325 23.474 ( 6.921 -5.622 0.312) 8.922 23.643 ( -1.156 -2.368 -2.631) 3.723 23.935 ( 0.815 8.277 2.215) 8.607 24.299 ( 0.686 -12.132 -6.038) 13.568 24.696 ( 3.586 0.758 -5.729) 6.801 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 12.271 -0.000) 12.271 1.614 ( -0.000 5.651 -0.000) 5.651 1.715 ( 0.000 12.138 0.000) 12.138 2.517 ( -0.000 0.253 0.000) 0.253 2.576 ( 0.000 -0.667 -0.000) 0.667 2.898 ( 0.000 -4.162 -0.000) 4.162 3.026 ( -0.000 -7.404 0.000) 7.404 3.159 ( 0.000 -2.421 0.000) 2.421 3.295 ( -0.000 4.942 0.000) 4.942 3.313 ( 0.000 -5.564 -0.000) 5.564 3.497 ( 0.000 2.961 -0.000) 2.961 3.607 ( -0.000 4.685 -0.000) 4.685 3.649 ( 0.000 -1.108 0.000) 1.108 3.748 ( 0.000 -3.596 -0.000) 3.596 3.949 ( 0.000 2.894 -0.000) 2.894 4.158 ( -0.000 -1.151 0.000) 1.151 4.196 ( 0.000 7.848 -0.000) 7.848 4.375 ( -0.000 4.021 0.000) 4.021 4.392 ( 0.000 8.378 -0.000) 8.378 4.921 ( 0.000 -5.869 0.000) 5.869 5.070 ( 0.000 -6.155 -0.000) 6.155 5.120 ( 0.000 0.134 0.000) 0.134 5.393 ( 0.000 1.660 0.000) 1.660 5.624 ( 0.000 2.533 -0.000) 2.533 5.870 ( -0.000 1.384 -0.000) 1.384 5.930 ( 0.000 -4.066 0.000) 4.066 6.056 ( 0.000 2.880 0.000) 2.880 6.313 ( 0.000 -9.150 -0.000) 9.150 6.364 ( 0.000 -4.224 0.000) 4.224 6.599 ( 0.000 -2.855 0.000) 2.855 6.710 ( 0.000 2.381 0.000) 2.381 6.772 ( 0.000 7.431 -0.000) 7.431 7.210 ( 0.000 -1.098 -0.000) 1.098 7.576 ( 0.000 -6.341 0.000) 6.341 7.748 ( 0.000 2.417 -0.000) 2.417 7.793 ( 0.000 -7.557 -0.000) 7.557 8.145 ( 0.000 9.231 0.000) 9.231 8.315 ( 0.000 -3.344 0.000) 3.344 8.661 ( 0.000 0.137 0.000) 0.137 8.799 ( 0.000 3.382 0.000) 3.382 9.317 ( 0.000 3.393 -0.000) 3.393 9.489 ( 0.000 -3.953 0.000) 3.953 10.006 ( 0.000 9.471 0.000) 9.471 10.363 ( 0.000 1.791 -0.000) 1.791 10.453 ( 0.000 6.381 -0.000) 6.381 10.559 ( -0.000 -4.518 0.000) 4.518 10.651 ( 0.000 2.049 0.000) 2.049 10.824 ( 0.000 6.960 0.000) 6.960 11.644 ( 0.000 3.159 0.000) 3.159 11.906 ( 0.000 2.691 0.000) 2.691 12.509 ( 0.000 -7.960 0.000) 7.960 12.669 ( -0.000 -3.142 -0.000) 3.142 12.822 ( 0.000 0.240 0.000) 0.240 13.133 ( -0.000 -7.911 -0.000) 7.911 13.136 ( 0.000 5.768 0.000) 5.768 13.439 ( 0.000 3.684 0.000) 3.684 13.756 ( 0.000 -0.045 0.000) 0.045 14.356 ( 0.000 6.492 0.000) 6.492 14.838 ( 0.000 -15.389 0.000) 15.389 15.267 ( 0.000 -0.801 0.000) 0.801 18.595 ( 0.000 6.435 0.000) 6.435 19.079 ( 0.000 3.390 0.000) 3.390 19.576 ( 0.000 -8.479 0.000) 8.479 20.102 ( 0.000 -2.506 0.000) 2.506 21.284 ( 0.000 1.949 -0.000) 1.949 22.028 ( 0.000 9.224 -0.000) 9.224 22.276 ( 0.000 -5.939 0.000) 5.939 23.566 ( 0.000 -3.710 0.000) 3.710 23.603 ( 0.000 -2.892 -0.000) 2.892 23.947 ( 0.000 11.111 -0.000) 11.111 24.295 ( 0.000 -14.507 0.000) 14.507 24.722 ( 0.000 1.672 0.000) 1.672 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 23.682 0.000) 23.682 1.150 ( 0.000 26.125 0.000) 26.125 1.676 ( 0.000 31.022 0.000) 31.022 2.050 ( 0.000 8.649 0.000) 8.649 2.206 ( 0.000 -1.497 0.000) 1.497 2.485 ( 0.000 -11.808 0.000) 11.808 2.774 ( 0.000 -8.278 0.000) 8.278 3.105 ( 0.000 0.016 0.000) 0.016 3.157 ( 0.000 -11.818 0.000) 11.818 3.240 ( 0.000 4.328 0.000) 4.328 3.269 ( 0.000 4.078 0.000) 4.078 3.538 ( 0.000 -0.274 0.000) 0.274 3.644 ( 0.000 1.714 0.000) 1.714 3.844 ( 0.000 1.384 0.000) 1.384 3.918 ( 0.000 1.873 0.000) 1.873 3.954 ( 0.000 0.885 0.000) 0.885 4.375 ( 0.000 2.860 0.000) 2.860 4.440 ( 0.000 7.101 0.000) 7.101 4.576 ( 0.000 -2.844 0.000) 2.844 4.651 ( 0.000 -7.769 0.000) 7.769 4.761 ( 0.000 -3.241 0.000) 3.241 5.193 ( 0.000 -3.370 0.000) 3.370 5.285 ( 0.000 3.764 0.000) 3.764 5.515 ( 0.000 4.473 0.000) 4.473 5.701 ( 0.000 -8.728 0.000) 8.728 5.846 ( 0.000 -1.193 0.000) 1.193 6.138 ( 0.000 4.455 0.000) 4.455 6.306 ( 0.000 -1.403 0.000) 1.403 6.347 ( 0.000 7.513 0.000) 7.513 6.561 ( 0.000 2.272 0.000) 2.272 6.646 ( 0.000 0.455 0.000) 0.455 6.752 ( 0.000 -2.894 0.000) 2.894 6.964 ( 0.000 -3.555 0.000) 3.555 7.207 ( 0.000 -11.220 0.000) 11.220 7.459 ( 0.000 1.755 0.000) 1.755 7.656 ( 0.000 -6.988 0.000) 6.988 8.357 ( 0.000 4.690 0.000) 4.690 8.462 ( 0.000 0.338 0.000) 0.338 8.589 ( 0.000 -2.621 0.000) 2.621 8.793 ( 0.000 -2.615 0.000) 2.615 9.279 ( 0.000 4.619 0.000) 4.619 9.487 ( 0.000 5.173 0.000) 5.173 9.985 ( 0.000 5.252 0.000) 5.252 10.476 ( 0.000 5.501 0.000) 5.501 10.638 ( 0.000 4.150 0.000) 4.150 10.761 ( 0.000 -6.793 0.000) 6.793 10.764 ( 0.000 1.909 0.000) 1.909 11.053 ( 0.000 -6.156 0.000) 6.156 11.684 ( 0.000 4.909 0.000) 4.909 11.904 ( 0.000 6.319 0.000) 6.319 12.253 ( 0.000 -8.284 0.000) 8.284 12.490 ( 0.000 -6.713 0.000) 6.713 12.879 ( 0.000 2.301 0.000) 2.301 12.982 ( 0.000 0.502 0.000) 0.502 13.732 ( 0.000 1.228 0.000) 1.228 13.773 ( 0.000 -0.569 0.000) 0.569 13.987 ( 0.000 -0.823 0.000) 0.823 14.017 ( 0.000 -0.769 0.000) 0.769 14.367 ( 0.000 3.955 0.000) 3.955 14.710 ( 0.000 -6.471 0.000) 6.471 19.147 ( 0.000 8.042 0.000) 8.042 19.535 ( 0.000 -5.052 0.000) 5.052 20.230 ( 0.000 8.697 0.000) 8.697 20.479 ( 0.000 -0.467 0.000) 0.467 21.667 ( 0.000 -0.230 0.000) 0.230 21.821 ( 0.000 1.232 0.000) 1.232 21.833 ( 0.000 -1.252 0.000) 1.252 21.878 ( 0.000 -2.903 0.000) 2.903 23.590 ( 0.000 2.867 0.000) 2.867 23.795 ( 0.000 -2.539 0.000) 2.539 24.346 ( 0.000 -0.698 0.000) 0.698 24.347 ( 0.000 -0.522 0.000) 0.522 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 7.811 21.740 5.353) 23.713 1.349 ( 16.796 20.987 -1.389) 26.916 1.842 ( 17.810 24.429 -0.720) 30.241 2.105 ( 2.824 5.518 -2.668) 6.749 2.335 ( 12.756 3.418 5.507) 14.309 2.549 ( 6.407 -13.101 -1.694) 14.682 2.842 ( 6.270 -6.271 -0.460) 8.879 3.020 ( -5.069 -4.207 -4.528) 7.994 3.137 ( -3.361 -0.585 -1.927) 3.918 3.190 ( -2.356 3.540 0.740) 4.317 3.359 ( 5.715 0.816 6.449) 8.655 3.462 ( -4.830 -1.447 -2.339) 5.558 3.628 ( -2.949 -2.223 -1.337) 3.927 3.742 ( -1.242 2.917 -4.309) 5.350 3.989 ( 8.872 5.686 -0.316) 10.542 4.153 ( 1.687 -1.023 2.921) 3.525 4.282 ( -2.167 0.737 2.090) 3.100 4.366 ( 0.613 5.549 1.997) 5.930 4.572 ( -4.080 0.792 1.863) 4.554 4.690 ( 0.015 -1.505 -4.416) 4.665 4.779 ( 3.940 -3.299 1.579) 5.375 5.033 ( -9.645 -1.098 -2.221) 9.958 5.391 ( 5.075 1.351 3.201) 6.150 5.506 ( -0.276 1.574 6.448) 6.643 5.759 ( 5.461 -6.178 -4.228) 9.266 5.788 ( -3.161 -0.988 -7.643) 8.330 6.154 ( 1.631 4.533 3.582) 6.003 6.207 ( -3.554 0.769 -0.445) 3.663 6.477 ( -3.780 1.850 2.354) 4.822 6.583 ( 7.521 -4.959 2.917) 9.469 6.755 ( 4.983 -3.128 1.665) 6.114 6.782 ( 4.138 0.816 -1.068) 4.351 7.010 ( 5.696 -2.950 -2.266) 6.803 7.266 ( 5.488 -11.755 0.945) 13.008 7.487 ( 3.551 1.797 -0.567) 4.020 7.653 ( -1.010 -5.656 3.499) 6.727 8.362 ( 0.212 4.889 0.599) 4.930 8.444 ( -1.346 2.287 -2.438) 3.603 8.623 ( 2.655 -2.876 -3.143) 5.019 8.791 ( 0.004 -3.126 1.263) 3.371 9.298 ( 2.374 4.163 -2.352) 5.338 9.476 ( -0.988 5.565 0.178) 5.655 10.006 ( 2.210 3.872 0.499) 4.486 10.435 ( -5.717 4.828 3.505) 8.263 10.582 ( -3.169 7.758 -4.043) 9.305 10.686 ( -0.148 2.819 -1.421) 3.160 10.798 ( -0.950 -4.971 -6.940) 8.590 11.087 ( 2.027 -5.482 -2.246) 6.262 11.704 ( 0.470 3.780 8.171) 9.015 11.918 ( 0.933 5.801 2.959) 6.579 12.253 ( 0.164 -8.832 2.225) 9.109 12.476 ( -0.958 -6.606 -0.801) 6.723 12.928 ( 3.253 0.600 1.877) 3.803 13.000 ( 0.992 0.313 3.070) 3.241 13.531 ( -11.759 3.542 -3.603) 12.798 13.786 ( -5.940 -3.020 1.809) 6.905 13.956 ( -2.609 -0.485 -0.955) 2.820 14.107 ( 8.315 -5.111 -1.670) 9.902 14.366 ( 2.721 7.025 2.122) 7.827 14.863 ( 11.355 -8.754 0.204) 14.339 19.127 ( -1.910 7.593 -2.224) 8.139 19.495 ( -4.471 -3.358 -3.633) 6.669 19.975 ( -35.102 12.395 10.218) 38.603 20.190 ( -4.567 5.591 -0.836) 7.267 21.487 ( -7.594 1.791 3.176) 8.424 21.783 ( 2.546 -4.912 5.103) 7.526 22.007 ( 10.349 3.097 -4.679) 11.772 22.477 ( 36.583 -14.137 -8.860) 40.208 23.612 ( 2.228 2.173 -1.941) 3.668 23.809 ( 1.254 -3.216 1.525) 3.774 24.302 ( -1.213 1.143 -2.580) 3.072 24.440 ( 6.673 -2.447 -3.418) 7.887 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 10.571 17.712 7.971) 22.113 1.606 ( 9.267 19.725 0.834) 21.809 2.120 ( 3.389 3.022 -2.379) 5.126 2.258 ( 15.722 14.170 -3.639) 21.476 2.581 ( 8.410 4.055 7.141) 11.755 2.686 ( 7.355 -12.607 -3.628) 15.040 2.928 ( -0.763 -6.455 -0.850) 6.555 2.944 ( 3.685 -0.466 -4.588) 5.903 3.116 ( -1.323 -0.992 -0.050) 1.655 3.187 ( 6.383 8.038 -0.009) 10.264 3.418 ( 0.942 -4.618 0.631) 4.755 3.487 ( 5.023 -1.470 3.613) 6.360 3.588 ( 0.260 -3.515 -0.387) 3.546 3.730 ( 0.670 4.122 -7.585) 8.659 4.027 ( -7.099 -0.309 4.491) 8.406 4.148 ( 3.151 6.640 -2.072) 7.637 4.306 ( 7.123 2.085 1.118) 7.506 4.472 ( -1.065 4.785 -0.408) 4.919 4.607 ( -3.861 4.589 -2.272) 6.413 4.649 ( 13.478 -0.169 5.512) 14.562 4.857 ( 1.776 -4.706 1.001) 5.128 4.886 ( -3.416 -1.354 -1.237) 3.877 5.444 ( -0.435 0.178 4.773) 4.796 5.564 ( 3.077 -0.404 4.498) 5.465 5.735 ( 0.962 -0.480 -5.491) 5.595 5.853 ( 5.145 -4.614 -4.419) 8.203 6.144 ( -2.655 -0.603 -3.080) 4.111 6.196 ( 0.450 4.724 3.265) 5.760 6.390 ( -4.623 -4.815 0.524) 6.696 6.643 ( -1.292 -3.362 1.267) 3.818 6.778 ( -0.938 -2.623 1.749) 3.289 6.887 ( 3.761 2.035 2.714) 5.065 7.110 ( 4.376 -2.853 -4.124) 6.655 7.386 ( 5.026 -11.868 2.066) 13.053 7.588 ( 5.478 0.118 -1.935) 5.811 7.652 ( 0.956 -2.824 5.948) 6.653 8.349 ( -1.936 3.069 -1.718) 4.014 8.403 ( -2.038 6.689 -0.993) 7.063 8.637 ( 0.051 -2.078 -3.003) 3.652 8.808 ( 0.886 -3.103 1.880) 3.735 9.351 ( 3.925 3.299 -4.170) 6.609 9.460 ( -0.628 5.764 1.246) 5.930 10.074 ( 4.437 0.888 0.923) 4.618 10.317 ( -5.719 6.293 2.220) 8.789 10.560 ( 1.544 8.470 -6.353) 10.700 10.699 ( 1.243 3.186 -0.718) 3.494 10.719 ( -5.151 -2.406 -0.425) 5.701 11.080 ( -1.467 -1.218 -5.126) 5.469 11.732 ( -0.138 3.908 6.330) 7.440 11.951 ( 1.223 5.340 3.646) 6.581 12.279 ( 1.260 -10.696 2.857) 11.142 12.471 ( 1.243 -6.107 -0.913) 6.299 12.972 ( -0.275 0.820 2.636) 2.774 13.008 ( -0.990 -1.713 0.940) 2.190 13.331 ( -7.159 5.425 -1.791) 9.159 13.634 ( -8.102 -1.744 0.945) 8.342 13.885 ( -4.153 0.507 -1.528) 4.454 14.278 ( 9.009 -11.223 -1.845) 14.510 14.459 ( 4.481 6.896 2.801) 8.688 15.052 ( 7.601 -9.026 0.250) 11.802 19.038 ( -7.959 8.594 -1.860) 11.860 19.302 ( -10.527 10.319 -3.816) 15.227 19.568 ( -10.791 -1.288 6.977) 12.914 20.084 ( -5.911 -2.344 0.056) 6.360 21.404 ( -2.412 4.371 2.520) 5.592 21.892 ( 6.846 -6.436 2.786) 9.801 22.175 ( 7.450 8.074 -1.959) 11.159 23.004 ( 21.147 -15.310 -5.885) 26.763 23.641 ( 0.917 1.166 -1.984) 2.477 23.858 ( 3.332 -4.943 2.556) 6.486 24.271 ( -1.195 3.221 -4.928) 6.007 24.565 ( 6.859 -3.519 -3.255) 8.368 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 9.192 13.359 7.623) 17.919 1.716 ( 2.898 15.859 1.670) 16.208 2.143 ( -2.793 14.221 -2.637) 14.730 2.383 ( 6.776 3.357 -5.175) 9.163 2.698 ( -1.859 0.952 4.310) 4.790 2.772 ( 2.793 -8.108 -3.028) 9.095 2.898 ( -0.426 -4.929 -2.029) 5.347 3.019 ( 1.903 -5.166 -0.140) 5.507 3.141 ( 3.756 -3.202 0.270) 4.943 3.361 ( 9.345 9.411 0.362) 13.268 3.457 ( 2.043 -8.215 2.861) 8.936 3.587 ( -0.596 -0.921 -0.873) 1.402 3.612 ( 6.211 1.450 3.313) 7.187 3.729 ( 1.893 1.676 -9.376) 9.711 3.963 ( -0.936 0.651 4.989) 5.118 4.151 ( -0.691 -0.083 -1.788) 1.919 4.423 ( -0.894 7.758 -1.413) 7.936 4.477 ( 3.035 6.387 2.071) 7.368 4.555 ( 1.660 9.049 -1.337) 9.297 4.797 ( 0.434 -3.649 0.042) 3.675 4.916 ( 2.282 -4.688 1.756) 5.502 4.978 ( 12.004 -1.026 1.499) 12.141 5.435 ( -0.973 1.024 2.367) 2.757 5.619 ( 2.193 -1.500 1.322) 2.967 5.789 ( 3.766 -0.360 1.619) 4.115 5.911 ( 1.890 -2.730 -4.427) 5.534 6.093 ( -0.986 -0.839 -2.395) 2.722 6.186 ( -1.328 2.375 2.738) 3.860 6.305 ( -4.351 -7.830 -2.978) 9.439 6.571 ( -5.855 -5.068 1.224) 7.840 6.772 ( 0.743 2.751 0.545) 2.901 6.915 ( -1.578 3.048 3.194) 4.688 7.162 ( 2.676 -1.772 -3.614) 4.834 7.429 ( -0.809 -10.016 2.083) 10.262 7.646 ( 2.504 -1.587 0.637) 3.032 7.741 ( 4.136 -0.840 1.990) 4.666 8.293 ( -2.264 1.372 -2.454) 3.609 8.362 ( -2.152 7.690 0.215) 7.988 8.628 ( 0.015 -2.290 -1.367) 2.667 8.825 ( 0.316 -1.754 1.297) 2.204 9.408 ( 2.959 4.334 -4.424) 6.864 9.461 ( -0.015 4.207 2.687) 4.992 10.155 ( 2.288 0.991 1.328) 2.825 10.265 ( 0.593 1.924 0.684) 2.126 10.558 ( -1.765 1.310 -5.685) 6.096 10.639 ( -1.207 4.032 2.413) 4.852 10.728 ( 1.528 7.069 -0.424) 7.244 11.015 ( -3.490 3.499 -2.886) 5.723 11.738 ( -0.476 5.021 2.762) 5.750 11.981 ( 0.865 5.267 2.065) 5.723 12.301 ( 0.258 -10.727 1.668) 10.859 12.520 ( 3.256 -6.568 0.174) 7.333 12.907 ( -4.529 1.611 -0.924) 4.895 13.008 ( -0.145 -3.218 1.174) 3.429 13.257 ( -0.908 5.510 -0.343) 5.595 13.515 ( -4.539 -0.530 1.018) 4.682 13.804 ( -3.262 1.428 -1.254) 3.775 14.416 ( 5.503 -14.731 -1.309) 15.780 14.525 ( 1.568 7.346 2.018) 7.778 15.154 ( 3.143 -7.569 0.097) 8.196 18.855 ( -7.868 10.978 0.126) 13.507 19.198 ( -1.095 7.870 -3.368) 8.631 19.439 ( -5.522 -7.370 3.849) 9.982 19.987 ( -3.713 -9.108 -0.436) 9.846 21.391 ( -0.021 7.342 1.477) 7.489 22.032 ( 6.365 -7.923 0.760) 10.191 22.268 ( 2.578 12.039 -0.056) 12.312 23.292 ( 11.066 -12.474 -3.326) 17.004 23.628 ( -1.747 0.989 -0.416) 2.050 23.942 ( 4.081 -7.941 2.709) 9.331 24.223 ( -2.087 6.783 -4.690) 8.507 24.665 ( 4.056 -3.531 -1.653) 5.626 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -0.000 14.256 -0.000) 14.256 1.772 ( 0.000 8.480 0.000) 8.480 2.063 ( -0.000 19.591 0.000) 19.591 2.557 ( 0.000 3.924 -0.000) 3.924 2.571 ( -0.000 0.361 0.000) 0.361 2.792 ( -0.000 -5.178 -0.000) 5.178 2.891 ( 0.000 -5.398 0.000) 5.398 3.031 ( 0.000 -7.953 -0.000) 7.953 3.186 ( 0.000 -5.983 0.000) 5.983 3.443 ( 0.000 -1.872 0.000) 1.872 3.517 ( -0.000 2.293 0.000) 2.293 3.564 ( 0.000 2.056 -0.000) 2.056 3.696 ( -0.000 0.500 -0.000) 0.500 3.728 ( 0.000 0.873 0.000) 0.873 3.983 ( 0.000 0.363 0.000) 0.363 4.128 ( -0.000 -2.688 0.000) 2.688 4.407 ( 0.000 10.650 -0.000) 10.650 4.491 ( 0.000 7.263 0.000) 7.263 4.595 ( 0.000 9.531 -0.000) 9.531 4.806 ( 0.000 -3.913 0.000) 3.913 4.946 ( 0.000 -4.392 -0.000) 4.392 5.108 ( -0.000 -1.708 0.000) 1.708 5.432 ( 0.000 1.956 0.000) 1.956 5.647 ( 0.000 -0.858 -0.000) 0.858 5.843 ( 0.000 -3.263 -0.000) 3.263 5.903 ( 0.000 1.150 0.000) 1.150 6.099 ( 0.000 -1.135 0.000) 1.135 6.184 ( 0.000 -0.561 -0.000) 0.561 6.234 ( 0.000 -7.407 -0.000) 7.407 6.496 ( 0.000 -6.378 0.000) 6.378 6.791 ( 0.000 4.875 -0.000) 4.875 6.889 ( 0.000 3.888 -0.000) 3.888 7.185 ( 0.000 -1.370 0.000) 1.370 7.416 ( -0.000 -9.008 0.000) 9.008 7.676 ( 0.000 -2.081 0.000) 2.081 7.784 ( 0.000 0.235 -0.000) 0.235 8.268 ( 0.000 -0.261 0.000) 0.261 8.336 ( 0.000 7.762 0.000) 7.762 8.628 ( 0.000 -2.612 -0.000) 2.612 8.830 ( 0.000 -1.265 0.000) 1.265 9.430 ( 0.000 6.432 -0.000) 6.432 9.467 ( 0.000 2.055 0.000) 2.055 10.168 ( 0.000 4.242 0.000) 4.242 10.299 ( 0.000 -4.878 0.000) 4.878 10.506 ( 0.000 0.407 -0.000) 0.407 10.649 ( 0.000 4.484 0.000) 4.484 10.746 ( 0.000 9.990 0.000) 9.990 10.966 ( 0.000 5.947 -0.000) 5.947 11.737 ( 0.000 5.479 0.000) 5.479 11.993 ( 0.000 5.230 0.000) 5.230 12.305 ( 0.000 -10.150 0.000) 10.150 12.559 ( -0.000 -7.235 0.000) 7.235 12.855 ( 0.000 2.314 0.000) 2.314 13.005 ( -0.000 -4.034 -0.000) 4.034 13.256 ( 0.000 5.366 0.000) 5.366 13.470 ( 0.000 -0.357 -0.000) 0.357 13.769 ( 0.000 1.852 0.000) 1.852 14.470 ( 0.000 -18.329 0.000) 18.329 14.539 ( 0.000 10.341 0.000) 10.341 15.182 ( 0.000 -6.860 0.000) 6.860 18.779 ( 0.000 10.388 0.000) 10.388 19.188 ( 0.000 7.054 -0.000) 7.054 19.387 ( -0.000 -8.881 0.000) 8.881 19.949 ( 0.000 -11.516 0.000) 11.516 21.396 ( 0.000 8.489 -0.000) 8.489 22.103 ( 0.000 -10.086 0.000) 10.086 22.287 ( 0.000 14.992 -0.000) 14.992 23.404 ( 0.000 -12.559 0.000) 12.559 23.598 ( 0.000 2.189 0.000) 2.189 23.997 ( 0.000 -12.036 -0.000) 12.036 24.186 ( 0.000 11.199 0.000) 11.199 24.702 ( 0.000 -3.397 0.000) 3.397 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 20.969 0.000) 20.969 1.676 ( 0.000 23.562 0.000) 23.562 1.871 ( 0.000 -11.941 0.000) 11.941 2.119 ( 0.000 -16.902 0.000) 16.902 2.258 ( 0.000 10.500 0.000) 10.500 2.394 ( 0.000 6.120 0.000) 6.120 2.615 ( 0.000 0.974 0.000) 0.974 2.879 ( 0.000 -14.396 0.000) 14.396 3.185 ( 0.000 5.964 0.000) 5.964 3.277 ( 0.000 -1.690 0.000) 1.690 3.396 ( 0.000 8.019 0.000) 8.019 3.538 ( 0.000 -2.195 0.000) 2.195 3.712 ( 0.000 3.396 0.000) 3.396 3.781 ( 0.000 -4.765 0.000) 4.765 3.963 ( 0.000 0.252 0.000) 0.252 3.964 ( 0.000 0.938 0.000) 0.938 4.371 ( 0.000 1.809 0.000) 1.809 4.463 ( 0.000 -6.167 0.000) 6.167 4.529 ( 0.000 -1.543 0.000) 1.543 4.535 ( 0.000 -3.110 0.000) 3.110 4.834 ( 0.000 10.780 0.000) 10.780 5.065 ( 0.000 -9.200 0.000) 9.200 5.404 ( 0.000 6.268 0.000) 6.268 5.532 ( 0.000 -6.563 0.000) 6.563 5.637 ( 0.000 6.999 0.000) 6.999 5.781 ( 0.000 -5.508 0.000) 5.508 6.234 ( 0.000 3.753 0.000) 3.753 6.283 ( 0.000 -1.212 0.000) 1.212 6.512 ( 0.000 7.797 0.000) 7.797 6.587 ( 0.000 1.161 0.000) 1.161 6.625 ( 0.000 -2.159 0.000) 2.159 6.661 ( 0.000 -5.750 0.000) 5.750 6.941 ( 0.000 1.577 0.000) 1.577 7.025 ( 0.000 -6.192 0.000) 6.192 7.479 ( 0.000 0.968 0.000) 0.968 7.530 ( 0.000 -4.313 0.000) 4.313 8.478 ( 0.000 1.181 0.000) 1.181 8.479 ( 0.000 4.505 0.000) 4.505 8.550 ( 0.000 1.003 0.000) 1.003 8.678 ( 0.000 -7.219 0.000) 7.219 9.395 ( 0.000 5.961 0.000) 5.961 9.503 ( 0.000 -3.364 0.000) 3.364 10.192 ( 0.000 12.986 0.000) 12.986 10.450 ( 0.000 -9.414 0.000) 9.414 10.703 ( 0.000 2.150 0.000) 2.150 10.723 ( 0.000 2.456 0.000) 2.456 10.797 ( 0.000 2.385 0.000) 2.385 10.908 ( 0.000 -6.935 0.000) 6.935 11.815 ( 0.000 7.411 0.000) 7.411 11.967 ( 0.000 -4.511 0.000) 4.511 12.163 ( 0.000 4.039 0.000) 4.039 12.324 ( 0.000 -8.671 0.000) 8.671 12.935 ( 0.000 2.657 0.000) 2.657 12.977 ( 0.000 -1.140 0.000) 1.140 13.754 ( 0.000 0.746 0.000) 0.746 13.764 ( 0.000 -0.337 0.000) 0.337 13.978 ( 0.000 0.178 0.000) 0.178 13.995 ( 0.000 -1.191 0.000) 1.191 14.462 ( 0.000 4.981 0.000) 4.981 14.577 ( 0.000 -5.928 0.000) 5.928 19.307 ( 0.000 6.781 0.000) 6.781 19.431 ( 0.000 -5.125 0.000) 5.125 20.382 ( 0.000 5.400 0.000) 5.400 20.457 ( 0.000 -1.980 0.000) 1.980 21.687 ( 0.000 2.289 0.000) 2.289 21.761 ( 0.000 -4.302 0.000) 4.302 21.843 ( 0.000 0.772 0.000) 0.772 21.854 ( 0.000 -0.355 0.000) 0.355 23.659 ( 0.000 3.516 0.000) 3.516 23.732 ( 0.000 -3.341 0.000) 3.341 24.336 ( 0.000 -0.220 0.000) 0.220 24.338 ( 0.000 -0.332 0.000) 0.332 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 5.436 18.936 3.311) 19.977 1.769 ( 7.942 15.859 -0.451) 17.742 1.946 ( 8.107 -6.669 -0.228) 10.500 2.207 ( 8.705 -17.009 -1.920) 19.204 2.371 ( 10.227 11.759 -0.974) 15.615 2.495 ( 9.505 6.070 2.785) 11.617 2.711 ( 8.253 -0.502 0.783) 8.305 2.892 ( 0.947 -9.333 -0.587) 9.400 3.154 ( -2.375 4.301 -1.767) 5.221 3.236 ( -2.448 -1.292 0.845) 2.894 3.426 ( 0.861 3.278 0.429) 3.416 3.476 ( -4.280 1.178 -1.995) 4.867 3.610 ( -6.230 2.380 -2.872) 7.261 3.732 ( 0.405 -5.149 -2.491) 5.734 4.065 ( 6.509 2.546 0.664) 7.021 4.131 ( 8.802 -1.635 1.936) 9.159 4.291 ( -4.358 2.266 0.173) 4.915 4.373 ( -2.726 -3.396 0.621) 4.399 4.562 ( 1.786 1.127 4.188) 4.690 4.653 ( 6.124 -6.275 3.872) 9.585 4.809 ( -2.082 8.943 -1.503) 9.304 4.977 ( -6.565 -5.519 -1.137) 8.652 5.456 ( 2.609 3.672 1.815) 4.856 5.515 ( -1.097 -1.462 4.713) 5.055 5.684 ( 4.717 1.188 -6.237) 7.910 5.754 ( -0.108 -3.335 -8.816) 9.427 6.229 ( -4.324 1.465 0.990) 4.672 6.240 ( -0.065 1.832 3.322) 3.794 6.481 ( -6.597 1.441 1.802) 6.988 6.551 ( 0.786 -2.320 3.047) 3.910 6.697 ( 5.067 0.610 1.434) 5.301 6.761 ( 7.016 -3.198 -0.418) 7.722 6.998 ( 5.200 1.615 -0.752) 5.496 7.076 ( 4.941 -6.096 0.308) 7.853 7.512 ( 3.281 1.081 1.116) 3.630 7.555 ( 1.872 -3.304 2.329) 4.455 8.481 ( 0.279 3.829 -5.628) 6.813 8.509 ( 2.053 5.526 2.846) 6.546 8.555 ( 1.071 -2.479 -2.998) 4.034 8.673 ( -0.335 -7.254 1.497) 7.415 9.410 ( 1.745 5.790 -0.943) 6.120 9.510 ( 0.726 -2.595 -0.414) 2.726 10.176 ( -1.422 11.388 0.446) 11.485 10.406 ( -4.194 -8.280 1.233) 9.363 10.698 ( -1.214 2.344 -2.086) 3.365 10.728 ( -0.082 1.904 2.413) 3.075 10.786 ( 0.922 4.695 -4.344) 6.462 10.940 ( 3.137 -7.852 -1.378) 8.567 11.822 ( 0.132 7.074 3.462) 7.877 11.973 ( 0.498 -4.917 1.108) 5.065 12.156 ( -0.746 4.035 2.351) 4.729 12.313 ( -0.706 -8.455 0.289) 8.490 12.962 ( 2.042 2.052 0.714) 2.981 12.996 ( 1.175 -0.917 1.704) 2.264 13.613 ( -9.364 4.193 -2.344) 10.524 13.705 ( -7.248 -4.359 -0.279) 8.462 13.967 ( -1.036 1.588 -0.779) 2.050 14.019 ( 1.972 -3.271 -1.099) 3.975 14.523 ( 5.865 7.572 1.019) 9.631 14.686 ( 8.919 -8.014 0.207) 11.992 19.280 ( -2.508 6.639 -1.995) 7.372 19.403 ( -2.631 -5.063 -1.883) 6.008 20.168 ( -24.466 6.325 4.434) 25.657 20.244 ( -13.707 -0.669 0.968) 13.758 21.553 ( -5.003 4.469 4.901) 8.308 21.666 ( -1.066 -5.864 5.459) 8.083 22.101 ( 17.825 5.794 -6.837) 19.951 22.250 ( 26.626 -8.436 -7.881) 29.021 23.670 ( 1.055 3.149 -0.277) 3.333 23.739 ( 0.609 -3.326 0.721) 3.457 24.338 ( 1.165 2.081 -0.684) 2.481 24.387 ( 4.067 -2.504 -0.929) 4.865 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 5.947 15.176 5.716) 17.273 1.882 ( 3.227 2.275 2.284) 4.561 2.168 ( 13.866 5.609 -3.263) 15.309 2.402 ( 11.485 -13.553 -3.864) 18.180 2.568 ( 7.157 11.292 -1.542) 13.458 2.663 ( 4.396 3.176 3.240) 6.317 2.832 ( 2.456 -1.617 0.622) 3.006 2.899 ( 0.699 -3.755 -1.432) 4.079 3.114 ( -1.311 2.995 0.804) 3.367 3.243 ( 0.634 -7.350 3.670) 8.240 3.407 ( 4.121 5.404 -4.348) 8.068 3.468 ( 3.750 -1.339 -2.149) 4.525 3.581 ( 2.110 5.105 1.035) 5.621 3.741 ( 0.797 -5.604 -3.624) 6.721 4.041 ( -5.035 4.360 1.475) 6.822 4.173 ( -5.130 -5.766 -1.915) 7.952 4.361 ( 12.211 5.642 0.297) 13.455 4.468 ( 7.043 -3.457 0.503) 7.862 4.655 ( 6.848 3.010 3.843) 8.410 4.746 ( 1.506 -3.550 4.450) 5.888 4.774 ( 1.009 5.470 0.083) 5.563 4.873 ( -3.070 -1.977 0.369) 3.670 5.470 ( -0.463 2.370 1.702) 2.954 5.530 ( 0.546 -2.679 1.923) 3.343 5.740 ( 3.331 1.348 -4.302) 5.605 5.783 ( 4.743 -2.418 -5.503) 7.657 6.149 ( -3.464 1.769 -3.126) 4.991 6.227 ( -2.366 -4.706 -1.737) 5.546 6.371 ( -5.432 6.775 4.507) 9.784 6.534 ( -3.984 -7.364 4.776) 9.639 6.791 ( 3.933 3.615 1.062) 5.446 6.877 ( 4.646 -3.288 1.093) 5.795 7.091 ( 4.075 1.810 -1.079) 4.588 7.184 ( 4.915 -6.953 0.586) 8.535 7.598 ( 3.811 0.392 0.975) 3.953 7.610 ( 3.755 -1.073 4.268) 5.785 8.437 ( -2.970 4.914 -4.621) 7.370 8.517 ( -2.507 1.153 -1.875) 3.336 8.581 ( 2.616 0.721 -0.980) 2.886 8.697 ( 2.015 -6.504 2.044) 7.109 9.453 ( 2.931 5.221 -1.560) 6.187 9.527 ( 1.081 -0.655 -0.398) 1.325 10.156 ( -0.535 7.147 0.936) 7.228 10.319 ( -4.757 -6.073 1.274) 7.819 10.649 ( -2.510 3.085 -2.887) 4.915 10.704 ( -2.475 -0.855 1.491) 3.013 10.838 ( 4.682 8.453 -2.195) 9.909 11.000 ( 3.398 -6.178 -3.495) 7.870 11.840 ( 0.451 6.501 4.331) 7.824 11.992 ( 0.863 -5.896 2.255) 6.371 12.162 ( 0.706 4.236 2.560) 4.999 12.316 ( 1.144 -8.139 0.492) 8.234 12.988 ( -0.012 0.865 0.714) 1.122 13.000 ( -1.728 -0.117 0.669) 1.856 13.447 ( -6.513 5.565 -0.704) 8.595 13.560 ( -6.672 -4.850 0.343) 8.256 13.930 ( -2.180 3.981 -1.824) 4.891 14.058 ( 2.453 -8.322 -2.031) 8.911 14.649 ( 5.965 9.628 1.141) 11.383 14.853 ( 7.541 -9.664 0.239) 12.260 19.198 ( -5.475 6.846 -2.159) 9.028 19.324 ( -4.381 -4.780 -2.783) 7.056 19.724 ( -20.169 12.018 4.030) 23.821 19.957 ( -14.709 -9.178 1.374) 17.392 21.540 ( 1.310 8.140 3.450) 8.937 21.725 ( 4.511 -8.850 3.550) 10.549 22.395 ( 13.761 12.394 -4.841) 19.142 22.684 ( 19.814 -14.751 -6.231) 25.476 23.686 ( 0.471 2.973 -0.258) 3.021 23.761 ( 1.400 -4.056 0.892) 4.383 24.367 ( 1.952 5.203 -1.303) 5.708 24.475 ( 4.998 -4.853 -0.867) 7.020 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 5.165 10.138 5.339) 12.569 1.923 ( 0.633 2.450 1.977) 3.211 2.413 ( 11.693 8.904 -2.626) 14.930 2.541 ( -3.562 10.778 -3.868) 11.993 2.591 ( 8.363 -7.172 -4.664) 11.964 2.719 ( -0.123 -1.714 -0.039) 1.719 2.830 ( -2.750 -0.546 2.084) 3.493 2.900 ( -1.975 -5.403 2.657) 6.336 3.099 ( -0.190 1.324 1.642) 2.118 3.234 ( -0.651 -10.318 1.127) 10.400 3.566 ( 4.424 1.666 1.836) 5.071 3.572 ( 8.408 3.973 -3.564) 9.959 3.638 ( 3.641 2.668 2.247) 5.042 3.745 ( 1.101 -2.419 -4.639) 5.347 3.981 ( -1.136 3.042 1.388) 3.532 4.086 ( -3.022 -5.282 -2.570) 6.606 4.543 ( 5.382 4.649 -0.131) 7.113 4.591 ( 5.011 1.491 2.124) 5.643 4.717 ( 1.387 5.269 -2.398) 5.953 4.766 ( 0.067 -0.453 0.089) 0.466 4.866 ( 4.563 1.140 3.124) 5.646 4.936 ( 8.004 -3.307 3.563) 9.365 5.473 ( 0.533 2.934 0.959) 3.132 5.555 ( 1.939 -4.166 0.486) 4.620 5.798 ( 2.622 1.672 0.220) 3.118 5.852 ( 3.360 -2.907 -2.300) 5.003 6.085 ( -1.908 0.793 -3.690) 4.229 6.148 ( -3.857 -5.535 -3.824) 7.755 6.293 ( -4.128 6.220 2.408) 7.844 6.436 ( -6.629 -7.029 2.599) 10.005 6.858 ( 2.726 4.696 1.365) 5.599 6.937 ( 0.964 -1.718 2.138) 2.907 7.143 ( 2.041 1.396 -1.698) 3.000 7.238 ( 0.609 -7.208 0.700) 7.268 7.658 ( 2.550 1.926 1.604) 3.575 7.706 ( 3.887 -2.279 2.638) 5.222 8.358 ( -3.424 4.528 -3.130) 6.483 8.444 ( -3.348 -1.797 -2.651) 4.633 8.620 ( 1.259 3.821 0.611) 4.069 8.737 ( 1.323 -5.736 1.098) 5.988 9.505 ( 2.668 4.253 -1.487) 5.236 9.543 ( 0.440 1.426 0.291) 1.521 10.164 ( 0.968 2.106 1.067) 2.551 10.245 ( -3.130 -4.113 0.466) 5.189 10.597 ( -1.987 3.820 -1.333) 4.507 10.667 ( -1.347 -1.726 0.078) 2.191 10.922 ( 3.994 8.572 -1.227) 9.536 11.037 ( 1.235 -2.016 -2.200) 3.229 11.860 ( 0.426 6.654 2.496) 7.119 12.014 ( 0.615 -6.346 1.854) 6.640 12.192 ( 1.435 4.871 1.470) 5.287 12.355 ( 2.223 -8.551 0.670) 8.861 12.943 ( -3.283 1.523 -0.804) 3.707 12.969 ( -1.707 -1.115 -0.141) 2.044 13.370 ( -1.837 5.180 0.725) 5.544 13.467 ( -3.355 -3.739 1.124) 5.148 13.884 ( -1.668 6.668 -1.625) 7.063 14.094 ( 1.710 -13.149 -1.440) 13.337 14.740 ( 3.064 10.772 0.667) 11.219 14.963 ( 3.725 -10.118 0.143) 10.783 19.071 ( -6.190 9.134 -0.620) 11.051 19.240 ( -3.140 -6.602 -2.393) 7.693 19.459 ( -8.749 11.558 2.488) 14.708 19.738 ( -7.816 -13.494 0.306) 15.597 21.588 ( 2.151 10.723 1.829) 11.088 21.822 ( 4.030 -11.043 1.750) 11.885 22.583 ( 6.912 16.977 -2.353) 18.481 22.959 ( 10.278 -17.909 -3.421) 20.930 23.685 ( -0.449 4.117 0.089) 4.143 23.791 ( 1.249 -5.932 0.434) 6.078 24.397 ( 1.334 8.352 -0.970) 8.514 24.556 ( 3.297 -6.575 -0.478) 7.371 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -0.000 6.845 -0.000) 6.845 1.922 ( 0.000 4.324 0.000) 4.324 2.465 ( 0.000 16.310 0.000) 16.310 2.593 ( 0.000 1.412 -0.000) 1.412 2.656 ( -0.000 1.773 0.000) 1.773 2.728 ( -0.000 2.933 0.000) 2.933 2.759 ( 0.000 -8.247 -0.000) 8.247 2.867 ( 0.000 -7.168 -0.000) 7.168 3.106 ( 0.000 0.112 -0.000) 0.112 3.235 ( 0.000 -10.777 0.000) 10.777 3.588 ( 0.000 1.936 0.000) 1.936 3.659 ( -0.000 -1.492 -0.000) 1.492 3.697 ( 0.000 3.624 -0.000) 3.624 3.750 ( 0.000 1.537 0.000) 1.537 3.985 ( 0.000 0.912 0.000) 0.912 4.047 ( 0.000 -4.233 -0.000) 4.233 4.592 ( -0.000 5.989 0.000) 5.989 4.629 ( 0.000 3.309 0.000) 3.309 4.744 ( -0.000 3.793 -0.000) 3.793 4.768 ( 0.000 -0.110 0.000) 0.110 4.925 ( 0.000 2.954 0.000) 2.954 5.033 ( -0.000 -5.353 0.000) 5.353 5.487 ( 0.000 3.701 0.000) 3.701 5.584 ( 0.000 -4.698 0.000) 4.698 5.823 ( 0.000 1.523 -0.000) 1.523 5.886 ( -0.000 -3.059 0.000) 3.059 6.059 ( 0.000 -0.212 0.000) 0.212 6.101 ( 0.000 -4.192 -0.000) 4.192 6.248 ( 0.000 4.409 0.000) 4.409 6.358 ( 0.000 -6.130 -0.000) 6.130 6.894 ( 0.000 4.287 -0.000) 4.287 6.940 ( 0.000 0.469 0.000) 0.469 7.163 ( 0.000 0.250 0.000) 0.250 7.237 ( -0.000 -6.756 0.000) 6.756 7.690 ( 0.000 2.447 0.000) 2.447 7.752 ( 0.000 -2.848 -0.000) 2.848 8.315 ( 0.000 4.233 0.000) 4.233 8.403 ( 0.000 -2.373 0.000) 2.373 8.633 ( 0.000 4.425 0.000) 4.425 8.751 ( 0.000 -5.485 0.000) 5.485 9.537 ( 0.000 2.992 -0.000) 2.992 9.541 ( -0.000 3.038 0.000) 3.038 10.187 ( 0.000 -0.613 0.000) 0.613 10.207 ( 0.000 -3.063 0.000) 3.063 10.574 ( 0.000 4.678 0.000) 4.678 10.655 ( 0.000 -2.320 0.000) 2.320 10.963 ( 0.000 7.832 0.000) 7.832 11.042 ( 0.000 0.419 -0.000) 0.419 11.868 ( 0.000 6.953 0.000) 6.953 12.023 ( 0.000 -6.245 0.000) 6.245 12.210 ( 0.000 5.290 0.000) 5.290 12.382 ( 0.000 -9.023 0.000) 9.023 12.905 ( 0.000 2.225 0.000) 2.225 12.947 ( -0.000 -2.001 -0.000) 2.001 13.359 ( 0.000 4.312 0.000) 4.312 13.435 ( 0.000 -2.786 0.000) 2.786 13.865 ( 0.000 7.897 0.000) 7.897 14.109 ( 0.000 -15.000 0.000) 15.000 14.770 ( 0.000 11.179 0.000) 11.179 14.998 ( 0.000 -10.152 0.000) 10.152 19.004 ( 0.000 10.302 0.000) 10.302 19.203 ( 0.000 -8.803 -0.000) 8.803 19.383 ( -0.000 11.578 0.000) 11.578 19.664 ( 0.000 -14.390 -0.000) 14.390 21.614 ( 0.000 11.631 0.000) 11.631 21.867 ( 0.000 -11.956 0.000) 11.956 22.646 ( 0.000 18.670 -0.000) 18.670 23.053 ( 0.000 -19.218 0.000) 19.218 23.679 ( 0.000 5.089 0.000) 5.089 23.805 ( 0.000 -6.970 -0.000) 6.970 24.408 ( 0.000 9.732 -0.000) 9.732 24.589 ( 0.000 -7.176 -0.000) 7.176 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -8.578 0.000 19.518) 21.319 0.520 ( -2.171 0.000 24.940) 25.034 0.974 ( -2.030 0.000 46.409) 46.454 1.817 ( 4.727 0.000 -3.769) 6.046 2.287 ( -1.877 0.000 9.546) 9.729 2.746 ( -3.117 0.000 0.905) 3.246 2.860 ( 0.077 0.000 -3.228) 3.229 3.113 ( -1.506 0.000 2.325) 2.771 3.184 ( -1.384 0.000 -1.105) 1.771 3.186 ( 1.408 0.000 -1.577) 2.114 3.451 ( -3.910 0.000 -2.531) 4.657 3.580 ( -3.621 0.000 1.956) 4.116 3.691 ( -4.845 0.000 1.783) 5.162 3.716 ( 2.668 0.000 -1.146) 2.904 3.857 ( 5.853 0.000 -2.245) 6.268 3.979 ( -3.703 0.000 -0.896) 3.810 4.130 ( 21.316 0.000 1.647) 21.379 4.229 ( -0.194 0.000 -0.258) 0.322 4.336 ( 12.887 0.000 -4.167) 13.544 4.683 ( -11.121 0.000 5.372) 12.351 4.763 ( -1.569 0.000 -6.060) 6.260 5.199 ( -3.969 0.000 -4.287) 5.842 5.373 ( 6.123 0.000 -4.021) 7.325 5.388 ( 9.027 0.000 4.018) 9.881 5.813 ( -3.263 0.000 5.127) 6.078 5.985 ( 0.142 0.000 1.050) 1.059 6.061 ( -0.168 0.000 -3.504) 3.508 6.160 ( 0.689 0.000 -4.963) 5.011 6.372 ( -1.500 0.000 -0.747) 1.676 6.435 ( -4.706 0.000 2.860) 5.507 6.525 ( 1.820 0.000 -2.365) 2.985 6.780 ( 5.048 0.000 -2.059) 5.452 7.186 ( -0.203 0.000 1.238) 1.255 7.498 ( -17.095 0.000 -2.052) 17.217 7.641 ( -0.429 0.000 4.005) 4.028 7.839 ( -0.392 0.000 1.970) 2.008 8.125 ( -0.562 0.000 -0.236) 0.609 8.279 ( -0.063 0.000 -1.173) 1.175 8.447 ( 0.315 0.000 -1.127) 1.171 8.615 ( 0.296 0.000 -3.930) 3.941 9.341 ( -6.587 0.000 0.181) 6.590 9.390 ( -8.070 0.000 1.802) 8.269 9.772 ( 0.654 0.000 -4.172) 4.223 9.901 ( -0.562 0.000 -3.227) 3.276 10.301 ( 0.105 0.000 1.886) 1.889 10.515 ( 1.184 0.000 -2.049) 2.367 10.995 ( -5.640 0.000 0.632) 5.675 11.170 ( 0.531 0.000 -0.364) 0.644 11.825 ( -1.068 0.000 6.588) 6.674 12.445 ( -0.027 0.000 -2.122) 2.122 12.653 ( 0.476 0.000 2.421) 2.467 12.674 ( -16.836 0.000 0.126) 16.837 13.006 ( -0.135 0.000 4.565) 4.567 13.628 ( -11.544 0.000 -5.455) 12.768 13.828 ( 12.769 0.000 3.378) 13.208 13.972 ( -30.065 0.000 -0.170) 30.065 14.021 ( -0.195 0.000 -0.364) 0.413 14.127 ( 8.918 0.000 -0.190) 8.920 14.279 ( -11.540 0.000 0.159) 11.541 14.462 ( 99.021 0.000 -0.682) 99.023 18.719 ( 1.363 0.000 2.206) 2.593 18.925 ( -2.105 0.000 -0.099) 2.107 19.801 ( -4.260 0.000 3.127) 5.285 20.493 ( 45.762 0.000 -3.765) 45.916 21.554 ( -3.110 0.000 1.022) 3.273 21.759 ( -36.888 0.000 -3.051) 37.014 21.774 ( 6.682 0.000 -0.526) 6.703 21.960 ( -17.479 0.000 -0.768) 17.496 23.738 ( -0.341 0.000 0.343) 0.484 23.830 ( 0.290 0.000 -1.847) 1.870 24.227 ( -48.438 0.000 2.267) 48.491 24.358 ( 1.568 0.000 -0.247) 1.588 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 14.217 0.000 18.775) 23.550 0.983 ( 28.447 0.000 17.405) 33.349 1.265 ( 25.665 0.000 28.656) 38.469 2.062 ( 19.068 0.000 0.725) 19.082 2.277 ( -1.734 0.000 9.693) 9.847 2.793 ( 6.616 0.000 -1.308) 6.744 2.892 ( 2.783 0.000 -4.662) 5.430 2.975 ( -11.624 0.000 0.616) 11.640 3.167 ( -0.684 0.000 -2.667) 2.754 3.218 ( 1.630 0.000 2.553) 3.030 3.395 ( 1.577 0.000 -7.466) 7.631 3.446 ( -2.941 0.000 0.030) 2.941 3.648 ( -5.291 0.000 -1.150) 5.414 3.758 ( 1.542 0.000 0.659) 1.677 3.839 ( -2.297 0.000 -0.515) 2.354 4.028 ( 6.925 0.000 0.477) 6.941 4.262 ( 7.594 0.000 -0.962) 7.654 4.266 ( -4.604 0.000 5.919) 7.499 4.371 ( -8.076 0.000 3.431) 8.775 4.696 ( 10.488 0.000 -2.860) 10.871 4.697 ( -2.969 0.000 -4.298) 5.224 5.106 ( -4.188 0.000 -2.620) 4.939 5.477 ( 5.899 0.000 -4.007) 7.131 5.549 ( 6.401 0.000 3.252) 7.180 5.750 ( -5.636 0.000 5.667) 7.993 5.986 ( -1.576 0.000 0.552) 1.669 6.092 ( 2.127 0.000 -3.490) 4.087 6.176 ( 3.954 0.000 -1.389) 4.190 6.326 ( -2.131 0.000 -2.261) 3.107 6.601 ( 4.741 0.000 -3.144) 5.689 6.891 ( 5.121 0.000 0.072) 5.121 7.008 ( 33.428 0.000 -35.051) 48.435 7.141 ( -3.609 0.000 1.952) 4.103 7.276 ( -4.779 0.000 0.858) 4.855 7.716 ( 6.076 0.000 4.111) 7.336 7.858 ( 0.117 0.000 2.453) 2.456 8.081 ( -3.388 0.000 -0.421) 3.414 8.288 ( 1.176 0.000 -0.926) 1.496 8.437 ( -0.099 0.000 -1.048) 1.052 8.709 ( 8.755 0.000 -6.467) 10.885 9.217 ( -3.156 0.000 5.339) 6.203 9.402 ( 2.735 0.000 0.098) 2.736 9.800 ( 2.998 0.000 -3.487) 4.598 9.897 ( 1.974 0.000 -4.463) 4.880 10.314 ( 0.571 0.000 2.055) 2.133 10.532 ( 1.149 0.000 -2.011) 2.316 10.897 ( -5.067 0.000 0.519) 5.094 11.142 ( -3.522 0.000 -0.076) 3.523 11.802 ( -3.039 0.000 6.436) 7.118 12.336 ( -18.183 0.000 18.324) 25.814 12.462 ( 2.522 0.000 -1.916) 3.168 12.665 ( -0.106 0.000 2.587) 2.589 13.018 ( -0.280 0.000 5.358) 5.365 13.353 ( -14.347 0.000 -4.303) 14.978 13.458 ( -13.478 0.000 10.046) 16.810 13.846 ( -17.383 0.000 1.341) 17.434 13.980 ( -4.064 0.000 -0.371) 4.081 14.074 ( 8.376 0.000 1.977) 8.606 14.500 ( 16.842 0.000 -2.987) 17.105 15.411 ( 9.746 0.000 -12.859) 16.135 18.716 ( -2.601 0.000 3.804) 4.608 18.903 ( 0.194 0.000 -1.945) 1.954 19.793 ( 2.890 0.000 -0.492) 2.932 20.279 ( -24.376 0.000 19.340) 31.116 21.454 ( -5.621 0.000 -0.097) 5.621 21.883 ( 2.423 0.000 -9.121) 9.438 21.980 ( 11.871 0.000 4.400) 12.660 22.636 ( 68.310 0.000 -56.751) 88.808 23.682 ( -11.154 0.000 11.933) 16.334 23.738 ( 0.243 0.000 -0.110) 0.267 23.928 ( 4.902 0.000 1.537) 5.137 24.404 ( 2.843 0.000 1.015) 3.019 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 14.544 0.000 13.377) 19.760 1.366 ( 10.944 0.000 31.677) 33.514 1.904 ( 16.940 0.000 5.453) 17.796 2.351 ( 14.122 0.000 6.060) 15.367 2.412 ( 10.262 0.000 8.058) 13.048 2.760 ( -2.485 0.000 -4.473) 5.117 2.906 ( 1.615 0.000 -4.117) 4.422 2.947 ( 3.714 0.000 -0.072) 3.715 3.121 ( -0.747 0.000 -7.642) 7.678 3.306 ( 5.959 0.000 -0.337) 5.968 3.438 ( 3.439 0.000 -3.425) 4.854 3.502 ( 7.692 0.000 0.509) 7.709 3.522 ( -5.621 0.000 -1.609) 5.847 3.747 ( -1.892 0.000 1.381) 2.343 3.895 ( 5.603 0.000 -2.457) 6.118 4.094 ( 2.770 0.000 0.578) 2.830 4.149 ( -6.201 0.000 3.919) 7.336 4.294 ( -1.217 0.000 5.759) 5.886 4.414 ( 0.971 0.000 -1.284) 1.610 4.710 ( 9.163 0.000 -1.666) 9.313 4.876 ( 8.568 0.000 -3.619) 9.301 5.033 ( -2.556 0.000 -2.065) 3.286 5.596 ( 7.517 0.000 -3.009) 8.097 5.646 ( -6.744 0.000 6.078) 9.079 5.652 ( 3.001 0.000 3.002) 4.245 5.949 ( -1.093 0.000 -1.029) 1.501 6.092 ( -2.048 0.000 -3.009) 3.640 6.281 ( 5.554 0.000 2.157) 5.959 6.312 ( 2.555 0.000 -5.170) 5.767 6.619 ( -2.306 0.000 -3.903) 4.534 6.907 ( -4.056 0.000 -0.554) 4.094 7.023 ( -8.802 0.000 -6.769) 11.104 7.130 ( 2.497 0.000 1.753) 3.051 7.430 ( 10.936 0.000 -18.851) 21.793 7.838 ( -2.864 0.000 3.118) 4.234 7.856 ( 5.817 0.000 3.612) 6.847 8.015 ( -2.561 0.000 0.294) 2.578 8.313 ( 1.525 0.000 -0.545) 1.620 8.472 ( 4.287 0.000 -0.548) 4.322 8.820 ( 3.460 0.000 -2.537) 4.291 9.210 ( 0.674 0.000 0.999) 1.206 9.470 ( 3.990 0.000 -0.157) 3.993 9.836 ( 1.422 0.000 -1.626) 2.160 9.979 ( 8.166 0.000 -6.582) 10.488 10.334 ( 0.921 0.000 2.333) 2.508 10.547 ( 1.185 0.000 -2.547) 2.809 10.796 ( -5.388 0.000 -0.763) 5.442 11.034 ( -7.697 0.000 -0.047) 7.697 11.756 ( -3.611 0.000 6.833) 7.729 12.127 ( -9.851 0.000 17.306) 19.913 12.528 ( 4.451 0.000 -1.674) 4.756 12.667 ( -0.268 0.000 2.521) 2.535 13.036 ( 0.771 0.000 4.999) 5.058 13.078 ( -12.590 0.000 -3.180) 12.985 13.364 ( -1.874 0.000 4.829) 5.180 13.548 ( -12.737 0.000 0.282) 12.740 13.883 ( -5.413 0.000 -0.689) 5.456 14.209 ( 4.781 0.000 0.279) 4.789 14.778 ( 12.493 0.000 -2.503) 12.741 15.383 ( -4.839 0.000 -2.295) 5.356 18.657 ( -4.271 0.000 4.361) 6.104 18.919 ( 2.171 0.000 -3.208) 3.873 19.890 ( 6.972 0.000 -2.324) 7.349 20.014 ( -11.613 0.000 12.458) 17.031 21.358 ( -4.192 0.000 -0.017) 4.193 21.877 ( 0.213 0.000 -7.615) 7.618 22.215 ( 9.990 0.000 7.118) 12.266 23.321 ( 23.329 0.000 -35.720) 42.663 23.616 ( -0.852 0.000 8.124) 8.169 23.744 ( 0.402 0.000 -0.666) 0.778 24.118 ( 14.637 0.000 -8.693) 17.024 24.462 ( 2.503 0.000 1.322) 2.831 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 4.142 0.000 10.813) 11.579 1.651 ( 9.371 0.000 26.908) 28.493 1.882 ( -12.093 0.000 9.531) 15.398 2.448 ( -0.284 0.000 3.203) 3.216 2.715 ( 13.044 0.000 -10.145) 16.525 2.799 ( -9.158 0.000 3.406) 9.771 2.952 ( 10.717 0.000 -5.771) 12.172 3.019 ( 10.968 0.000 3.860) 11.627 3.195 ( 7.158 0.000 -3.885) 8.144 3.389 ( 3.211 0.000 -4.574) 5.589 3.443 ( -2.300 0.000 0.705) 2.406 3.489 ( 1.423 0.000 2.438) 2.823 3.694 ( 9.925 0.000 0.695) 9.949 3.708 ( -2.292 0.000 0.061) 2.292 3.951 ( -0.315 0.000 2.929) 2.946 4.133 ( 3.841 0.000 -0.785) 3.921 4.144 ( 0.884 0.000 0.993) 1.329 4.317 ( 0.569 0.000 4.127) 4.166 4.352 ( -3.295 0.000 0.092) 3.297 4.926 ( 9.268 0.000 -3.079) 9.766 5.002 ( 1.023 0.000 -3.156) 3.317 5.009 ( 6.647 0.000 -3.913) 7.713 5.529 ( -6.700 0.000 4.470) 8.054 5.654 ( -3.684 0.000 1.352) 3.924 5.748 ( 8.221 0.000 0.442) 8.233 5.970 ( 3.357 0.000 -0.209) 3.364 6.019 ( -3.620 0.000 -1.750) 4.020 6.365 ( 4.598 0.000 -9.529) 10.580 6.376 ( 3.417 0.000 1.218) 3.628 6.520 ( -5.450 0.000 -2.801) 6.128 6.775 ( -7.875 0.000 -1.500) 8.016 6.824 ( -9.296 0.000 -2.829) 9.717 7.196 ( 2.835 0.000 0.482) 2.876 7.508 ( 3.199 0.000 -11.665) 12.096 7.797 ( -1.464 0.000 3.952) 4.214 7.900 ( -0.880 0.000 0.151) 0.893 8.031 ( 2.327 0.000 3.616) 4.300 8.338 ( 1.159 0.000 -0.750) 1.380 8.575 ( 5.573 0.000 -0.960) 5.655 8.834 ( -1.434 0.000 1.823) 2.319 9.235 ( 1.635 0.000 -0.370) 1.676 9.538 ( 2.879 0.000 0.723) 2.969 9.852 ( 0.741 0.000 -1.190) 1.402 10.132 ( 8.580 0.000 -7.158) 11.173 10.376 ( 3.134 0.000 2.464) 3.987 10.565 ( 1.770 0.000 -3.796) 4.189 10.696 ( -4.324 0.000 -0.158) 4.327 10.856 ( -10.173 0.000 0.086) 10.174 11.713 ( -3.016 0.000 7.125) 7.737 12.035 ( -4.974 0.000 12.386) 13.348 12.579 ( 0.603 0.000 -2.235) 2.315 12.693 ( 2.317 0.000 2.272) 3.245 12.878 ( -6.485 0.000 -1.931) 6.766 13.074 ( 1.374 0.000 4.146) 4.368 13.352 ( -1.334 0.000 2.474) 2.810 13.373 ( -5.755 0.000 0.775) 5.807 13.789 ( -3.608 0.000 -0.443) 3.635 14.261 ( 1.125 0.000 -1.505) 1.879 14.957 ( 6.819 0.000 -1.719) 7.032 15.282 ( -4.593 0.000 -1.857) 4.954 18.594 ( -3.424 0.000 3.834) 5.140 18.962 ( 3.310 0.000 -3.540) 4.846 19.856 ( -8.539 0.000 8.381) 11.965 20.019 ( 6.541 0.000 -1.776) 6.778 21.295 ( -2.352 0.000 -0.178) 2.359 21.855 ( 0.055 0.000 -7.750) 7.750 22.378 ( 4.017 0.000 7.588) 8.586 23.525 ( 8.903 0.000 -15.244) 17.654 23.641 ( 0.564 0.000 5.573) 5.602 23.749 ( 0.435 0.000 -0.975) 1.067 24.375 ( 14.467 0.000 -10.756) 18.028 24.498 ( 0.738 0.000 0.495) 0.889 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -5.236 0.000 7.989) 9.552 1.624 ( -17.187 0.000 11.351) 20.597 1.880 ( 6.807 0.000 20.243) 21.357 2.471 ( -4.719 0.000 -4.249) 6.350 2.627 ( -0.649 0.000 3.803) 3.858 2.838 ( 6.063 0.000 -7.985) 10.026 3.171 ( 10.360 0.000 2.194) 10.589 3.174 ( 0.512 0.000 2.523) 2.574 3.309 ( 5.018 0.000 0.719) 5.069 3.420 ( 1.556 0.000 -3.502) 3.832 3.424 ( -0.562 0.000 2.531) 2.593 3.463 ( -5.227 0.000 1.219) 5.367 3.666 ( -1.598 0.000 -1.979) 2.544 3.812 ( 0.547 0.000 1.476) 1.574 3.931 ( -2.410 0.000 2.528) 3.492 4.133 ( -1.053 0.000 1.442) 1.786 4.204 ( 0.881 0.000 1.103) 1.412 4.310 ( -1.758 0.000 1.790) 2.509 4.321 ( -0.666 0.000 -0.141) 0.681 4.968 ( -0.694 0.000 -2.767) 2.853 5.052 ( 0.729 0.000 -6.043) 6.087 5.103 ( 4.053 0.000 -3.913) 5.634 5.429 ( -4.846 0.000 4.738) 6.777 5.558 ( -4.723 0.000 -2.005) 5.131 5.848 ( -0.880 0.000 -1.082) 1.394 5.994 ( 3.750 0.000 0.583) 3.795 6.023 ( 0.752 0.000 0.924) 1.191 6.369 ( -4.520 0.000 -3.437) 5.678 6.459 ( 9.698 0.000 -10.168) 14.051 6.466 ( 1.177 0.000 -1.537) 1.936 6.674 ( -6.398 0.000 0.589) 6.425 6.676 ( 0.177 0.000 -1.361) 1.373 7.223 ( -0.299 0.000 0.084) 0.311 7.519 ( 1.917 0.000 -7.529) 7.769 7.831 ( 3.689 0.000 4.782) 6.040 7.890 ( 0.320 0.000 -0.122) 0.343 8.055 ( -1.389 0.000 3.291) 3.573 8.351 ( 0.431 0.000 -0.771) 0.883 8.634 ( -0.106 0.000 -1.380) 1.384 8.793 ( -2.920 0.000 2.064) 3.576 9.269 ( 1.977 0.000 -0.184) 1.985 9.591 ( 2.418 0.000 2.508) 3.484 9.856 ( 0.038 0.000 -1.340) 1.340 10.225 ( 3.140 0.000 -5.179) 6.057 10.430 ( -2.040 0.000 -0.346) 2.069 10.567 ( -1.025 0.000 -4.308) 4.428 10.673 ( 2.861 0.000 0.952) 3.016 10.719 ( -0.206 0.000 0.981) 1.002 11.685 ( -2.210 0.000 7.101) 7.437 11.995 ( -3.025 0.000 10.034) 10.480 12.561 ( -0.842 0.000 -3.325) 3.430 12.697 ( -2.037 0.000 -0.350) 2.067 12.864 ( 3.891 0.000 2.296) 4.517 13.095 ( -0.708 0.000 3.165) 3.243 13.314 ( -3.266 0.000 0.457) 3.298 13.324 ( 0.148 0.000 1.519) 1.526 13.763 ( 1.056 0.000 0.574) 1.202 14.253 ( -1.075 0.000 -3.105) 3.286 15.031 ( 1.377 0.000 -0.616) 1.509 15.203 ( -2.712 0.000 -3.707) 4.593 18.555 ( -1.534 0.000 2.856) 3.242 19.016 ( 2.920 0.000 -2.498) 3.842 19.739 ( -5.510 0.000 4.812) 7.315 20.112 ( 2.977 0.000 0.583) 3.033 21.268 ( -0.239 0.000 -0.667) 0.709 21.835 ( 0.475 0.000 -7.948) 7.962 22.397 ( -4.263 0.000 5.500) 6.959 23.584 ( -0.564 0.000 -2.518) 2.580 23.684 ( 3.700 0.000 -0.728) 3.771 23.756 ( 0.606 0.000 -0.636) 0.878 24.490 ( -1.394 0.000 -0.992) 1.711 24.604 ( 12.148 0.000 -5.296) 13.253 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -9.687 0.000 6.341) 11.578 1.316 ( -18.662 0.000 15.644) 24.351 2.030 ( 3.256 0.000 13.681) 14.063 2.273 ( -9.554 0.000 -4.989) 10.778 2.754 ( 7.601 0.000 3.292) 8.283 2.930 ( -1.312 0.000 -0.402) 1.372 2.964 ( -18.205 0.000 4.275) 18.700 3.284 ( -3.900 0.000 8.694) 9.529 3.349 ( -4.547 0.000 -2.952) 5.421 3.386 ( 3.590 0.000 3.493) 5.009 3.428 ( 0.260 0.000 -4.854) 4.860 3.473 ( 6.097 0.000 0.986) 6.176 3.648 ( 0.853 0.000 -3.182) 3.294 3.711 ( -10.064 0.000 1.667) 10.201 3.883 ( -2.375 0.000 0.640) 2.460 4.108 ( -3.466 0.000 -0.525) 3.505 4.157 ( -5.071 0.000 -0.911) 5.153 4.258 ( -4.590 0.000 2.679) 5.315 4.355 ( 5.978 0.000 1.051) 6.069 4.862 ( -10.596 0.000 -6.584) 12.475 5.004 ( -0.941 0.000 -2.721) 2.880 5.114 ( -1.986 0.000 -2.337) 3.067 5.372 ( -2.464 0.000 1.276) 2.775 5.484 ( -2.490 0.000 -4.791) 5.400 5.811 ( 0.046 0.000 0.899) 0.900 6.016 ( -0.644 0.000 1.339) 1.486 6.112 ( 6.224 0.000 2.961) 6.892 6.246 ( -5.764 0.000 -5.011) 7.637 6.519 ( 4.519 0.000 -3.766) 5.882 6.540 ( -7.230 0.000 -0.207) 7.233 6.667 ( 12.153 0.000 -7.900) 14.496 6.749 ( 5.768 0.000 -2.260) 6.195 7.182 ( -3.870 0.000 -0.096) 3.871 7.556 ( 4.162 0.000 -6.146) 7.422 7.906 ( 0.128 0.000 0.765) 0.776 7.959 ( 7.440 0.000 5.489) 9.246 8.008 ( -2.929 0.000 1.989) 3.541 8.347 ( -0.731 0.000 -0.397) 0.832 8.555 ( -6.935 0.000 -0.652) 6.965 8.747 ( -2.018 0.000 -0.930) 2.222 9.306 ( 1.899 0.000 -0.124) 1.903 9.655 ( 3.286 0.000 4.059) 5.223 9.847 ( -0.429 0.000 -1.696) 1.749 10.210 ( -5.112 0.000 -5.703) 7.659 10.314 ( -4.130 0.000 1.735) 4.480 10.529 ( -1.213 0.000 -3.103) 3.332 10.786 ( 7.869 0.000 1.370) 7.988 10.846 ( 9.477 0.000 -0.332) 9.483 11.669 ( -1.730 0.000 7.498) 7.695 11.978 ( -2.047 0.000 11.374) 11.557 12.538 ( -0.405 0.000 -4.451) 4.470 12.658 ( -2.090 0.000 1.208) 2.414 12.987 ( 8.255 0.000 3.010) 8.787 13.065 ( -2.917 0.000 2.211) 3.661 13.230 ( -5.173 0.000 -1.878) 5.504 13.383 ( 5.480 0.000 1.476) 5.675 13.827 ( 4.785 0.000 1.685) 5.073 14.204 ( -2.959 0.000 -4.217) 5.151 15.004 ( -4.346 0.000 0.714) 4.405 15.145 ( -2.143 0.000 -7.188) 7.500 18.554 ( 0.711 0.000 1.852) 1.984 19.047 ( 0.406 0.000 -0.048) 0.409 19.686 ( -0.653 0.000 0.886) 1.101 20.127 ( -2.159 0.000 3.749) 4.327 21.285 ( 2.374 0.000 -1.131) 2.630 21.827 ( 1.184 0.000 -7.923) 8.011 22.260 ( -10.524 0.000 1.896) 10.693 23.505 ( -6.995 0.000 0.328) 7.003 23.755 ( 3.789 0.000 -2.965) 4.812 23.764 ( 0.213 0.000 0.048) 0.218 24.444 ( -2.632 0.000 -2.260) 3.469 24.817 ( 10.964 0.000 0.302) 10.968 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -15.936 0.000 9.311) 18.457 1.028 ( -16.954 0.000 24.092) 29.459 2.015 ( -17.408 0.000 9.473) 19.818 2.099 ( -7.968 0.000 -6.405) 10.223 2.388 ( -25.221 0.000 9.547) 26.968 2.895 ( 6.020 0.000 4.091) 7.279 3.014 ( 0.769 0.000 -0.817) 1.122 3.131 ( -12.289 0.000 6.680) 13.987 3.243 ( -4.991 0.000 -1.033) 5.097 3.390 ( -5.964 0.000 3.328) 6.830 3.433 ( 2.633 0.000 -6.539) 7.050 3.535 ( -4.942 0.000 2.046) 5.349 3.630 ( 7.197 0.000 2.213) 7.530 3.667 ( 1.113 0.000 -1.881) 2.186 3.870 ( 0.038 0.000 -0.116) 0.122 3.995 ( -7.137 0.000 -6.961) 9.970 4.025 ( -2.749 0.000 -0.651) 2.825 4.206 ( -1.876 0.000 4.241) 4.637 4.449 ( -6.807 0.000 -1.217) 6.914 4.659 ( 1.251 0.000 -3.106) 3.349 5.025 ( 4.178 0.000 -2.931) 5.104 5.039 ( -5.491 0.000 1.397) 5.666 5.334 ( -0.937 0.000 -2.795) 2.948 5.413 ( -3.484 0.000 -5.169) 6.233 5.846 ( 1.495 0.000 4.123) 4.386 6.020 ( 0.189 0.000 1.589) 1.601 6.143 ( -2.806 0.000 -5.087) 5.810 6.212 ( 1.620 0.000 2.837) 3.267 6.395 ( -5.872 0.000 -0.273) 5.878 6.580 ( 2.532 0.000 -5.822) 6.348 6.814 ( 0.555 0.000 -4.856) 4.887 6.835 ( 6.817 0.000 -9.614) 11.785 7.107 ( -2.173 0.000 1.113) 2.442 7.629 ( 4.876 0.000 -5.599) 7.424 7.833 ( -7.077 0.000 2.932) 7.660 8.028 ( 3.650 0.000 0.015) 3.650 8.098 ( 3.090 0.000 2.897) 4.235 8.324 ( -1.386 0.000 -0.239) 1.406 8.421 ( -4.558 0.000 -0.545) 4.590 8.711 ( -1.085 0.000 -3.320) 3.492 9.336 ( 1.262 0.000 -0.674) 1.431 9.732 ( 2.978 0.000 2.239) 3.726 9.829 ( -0.861 0.000 -2.266) 2.424 10.049 ( -7.428 0.000 -3.887) 8.384 10.297 ( -0.124 0.000 1.173) 1.180 10.507 ( -0.217 0.000 -2.823) 2.831 10.964 ( 9.397 0.000 2.190) 9.649 11.014 ( 7.689 0.000 -0.985) 7.752 11.677 ( 0.593 0.000 10.879) 10.896 12.006 ( 1.549 0.000 20.042) 20.102 12.510 ( -1.275 0.000 -4.160) 4.351 12.631 ( -1.025 0.000 2.682) 2.871 13.011 ( -2.946 0.000 0.180) 2.951 13.109 ( -6.398 0.000 -2.887) 7.019 13.208 ( 13.746 0.000 2.849) 14.038 13.539 ( 10.288 0.000 0.152) 10.289 13.933 ( 5.045 0.000 2.040) 5.441 14.107 ( -5.866 0.000 -4.503) 7.396 14.864 ( -10.814 0.000 1.957) 10.990 15.047 ( -5.962 0.000 -13.424) 14.688 18.593 ( 2.821 0.000 1.147) 3.045 19.028 ( -2.477 0.000 1.839) 3.085 19.724 ( 4.682 0.000 -0.695) 4.733 20.053 ( -6.917 0.000 6.063) 9.198 21.356 ( 5.364 0.000 -0.873) 5.434 21.834 ( 2.041 0.000 -7.718) 7.983 22.038 ( -11.862 0.000 -1.361) 11.939 23.314 ( -12.808 0.000 -3.948) 13.403 23.762 ( -0.581 0.000 0.491) 0.761 23.803 ( 2.164 0.000 -2.928) 3.641 24.387 ( -2.285 0.000 -2.561) 3.432 25.020 ( 9.441 0.000 -0.605) 9.461 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -17.092 0.000 17.290) 24.312 0.826 ( -14.506 0.000 30.080) 33.395 1.294 ( -46.635 0.000 18.866) 50.306 1.900 ( -9.338 0.000 -6.051) 11.127 2.270 ( -0.550 0.000 9.102) 9.119 2.898 ( -11.406 0.000 2.764) 11.736 2.933 ( -6.169 0.000 -2.167) 6.539 3.037 ( 5.999 0.000 4.453) 7.471 3.200 ( -0.555 0.000 -1.484) 1.585 3.254 ( -6.030 0.000 0.258) 6.035 3.480 ( 2.345 0.000 -1.215) 2.641 3.511 ( 1.816 0.000 3.087) 3.581 3.654 ( -0.531 0.000 -1.836) 1.912 3.759 ( 4.657 0.000 1.667) 4.947 3.791 ( -1.520 0.000 1.776) 2.338 3.944 ( -10.180 0.000 -0.643) 10.200 4.061 ( 10.717 0.000 -5.927) 12.246 4.182 ( -1.441 0.000 0.671) 1.589 4.245 ( -4.429 0.000 -2.165) 4.930 4.762 ( 3.883 0.000 -2.849) 4.816 4.897 ( -10.515 0.000 4.505) 11.440 5.159 ( 9.683 0.000 -1.523) 9.802 5.322 ( -4.084 0.000 -2.988) 5.060 5.328 ( 1.402 0.000 -4.556) 4.767 5.860 ( -1.856 0.000 5.241) 5.560 6.006 ( -1.995 0.000 0.570) 2.075 6.131 ( 2.651 0.000 -4.224) 4.987 6.149 ( -5.795 0.000 -0.968) 5.875 6.370 ( 0.910 0.000 0.321) 0.964 6.563 ( -2.483 0.000 -4.569) 5.200 6.757 ( -1.767 0.000 -5.615) 5.887 6.811 ( -8.545 0.000 -13.447) 15.932 7.138 ( 3.524 0.000 1.681) 3.904 7.688 ( 1.971 0.000 -6.432) 6.727 7.705 ( -6.479 0.000 3.544) 7.385 8.004 ( -11.968 0.000 -3.844) 12.570 8.099 ( 3.027 0.000 -0.111) 3.029 8.297 ( -1.244 0.000 -0.665) 1.411 8.422 ( 2.396 0.000 -0.318) 2.417 8.674 ( -2.136 0.000 -4.994) 5.432 9.350 ( 0.583 0.000 -1.145) 1.285 9.699 ( -8.953 0.000 -9.164) 12.811 9.797 ( -1.487 0.000 -3.447) 3.754 9.939 ( -2.898 0.000 -3.117) 4.256 10.298 ( -0.224 0.000 1.509) 1.525 10.503 ( 0.651 0.000 -2.428) 2.514 11.078 ( 0.079 0.000 -2.999) 3.000 11.126 ( 4.242 0.000 -0.825) 4.322 11.781 ( 4.040 0.000 9.295) 10.135 12.422 ( 46.412 0.000 56.050) 72.771 12.470 ( -1.556 0.000 -2.659) 3.081 12.635 ( 0.458 0.000 2.385) 2.428 12.916 ( -7.431 0.000 -8.246) 11.100 13.012 ( -2.415 0.000 4.330) 4.958 13.511 ( 16.042 0.000 3.341) 16.386 13.748 ( 8.703 0.000 -4.009) 9.582 13.973 ( -3.736 0.000 -2.339) 4.408 14.016 ( 2.705 0.000 1.767) 3.231 14.604 ( -16.686 0.000 2.494) 16.871 14.761 ( -21.476 0.000 -21.394) 30.313 18.662 ( 3.581 0.000 1.125) 3.754 18.975 ( -3.178 0.000 1.559) 3.540 19.881 ( 13.151 0.000 4.905) 14.035 19.917 ( -8.396 0.000 5.921) 10.274 21.481 ( 7.256 0.000 0.769) 7.297 21.827 ( -8.622 0.000 -3.047) 9.145 21.856 ( 2.463 0.000 -7.514) 7.907 22.925 ( -29.134 0.000 -16.121) 33.296 23.748 ( -0.826 0.000 0.566) 1.002 23.823 ( 0.916 0.000 -2.570) 2.728 24.351 ( -0.557 0.000 -1.727) 1.815 25.046 ( -11.630 0.000 -22.286) 25.138 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -4.293 20.378 11.524) 23.801 0.939 ( -0.529 25.134 18.799) 31.391 1.184 ( -2.926 21.647 32.670) 39.300 1.867 ( 3.092 4.699 -3.560) 6.656 2.331 ( -0.805 3.128 11.143) 11.601 2.685 ( -2.574 -5.680 0.573) 6.262 2.840 ( -0.387 -2.020 -3.337) 3.920 3.136 ( -3.966 -2.437 -3.058) 5.569 3.143 ( 1.229 -0.272 -1.384) 1.871 3.185 ( 0.762 0.915 2.121) 2.433 3.420 ( -0.424 -2.591 0.071) 2.626 3.578 ( -0.186 -7.286 1.872) 7.525 3.643 ( -5.484 1.074 -1.952) 5.920 3.752 ( 4.308 3.554 -0.235) 5.590 3.826 ( -7.208 0.537 -2.317) 7.590 3.995 ( 10.729 -0.825 3.005) 11.172 4.116 ( -0.444 11.005 -2.300) 11.251 4.358 ( 11.433 1.805 -3.883) 12.209 4.579 ( 2.806 7.655 -10.480) 13.278 4.656 ( -9.161 -2.587 3.384) 10.103 4.789 ( -2.974 1.316 -4.749) 5.755 5.157 ( -4.228 -3.007 -5.225) 7.364 5.344 ( 8.728 -2.665 2.850) 9.560 5.404 ( 5.974 2.088 -2.841) 6.937 5.825 ( -5.791 1.090 4.383) 7.344 5.925 ( -0.948 -6.514 0.026) 6.583 6.064 ( 2.400 0.264 -1.867) 3.052 6.154 ( 1.713 3.265 -4.617) 5.909 6.388 ( 1.709 -2.132 2.340) 3.597 6.441 ( 2.642 4.878 -2.733) 6.184 6.606 ( -3.223 3.892 -0.915) 5.135 6.771 ( 4.090 -0.895 -2.062) 4.667 7.099 ( -3.987 -7.427 2.324) 8.744 7.383 ( -4.284 -0.841 -0.065) 4.366 7.520 ( -0.012 -12.044 3.244) 12.473 7.748 ( 3.218 -4.264 -1.902) 5.671 8.257 ( 1.258 1.589 -3.752) 4.264 8.363 ( -3.062 5.783 -3.944) 7.640 8.589 ( -2.324 -1.243 -4.570) 5.276 8.688 ( 2.521 12.031 -2.225) 12.492 9.294 ( -4.077 -0.685 4.339) 5.993 9.414 ( -2.293 3.475 2.918) 5.084 9.910 ( -0.235 3.692 -3.008) 4.768 10.114 ( -1.214 16.417 -17.153) 23.774 10.361 ( -2.281 6.368 -1.084) 6.850 10.549 ( 1.224 3.083 -2.745) 4.305 10.954 ( -5.975 -3.567 2.063) 7.258 11.150 ( 0.750 -2.208 -0.149) 2.337 11.850 ( -1.341 2.490 5.972) 6.608 12.356 ( -1.928 -12.997 8.687) 15.751 12.481 ( -4.309 -13.154 11.805) 18.192 12.608 ( -1.123 -4.692 2.329) 5.358 12.984 ( 1.574 -3.167 5.434) 6.483 13.141 ( 18.861 -19.006 26.194) 37.458 13.638 ( -10.453 0.837 -4.787) 11.528 13.841 ( 11.497 -0.739 3.376) 12.005 13.997 ( -1.133 0.360 -0.090) 1.193 14.034 ( -3.425 -0.112 0.699) 3.497 14.280 ( 2.882 1.882 -1.971) 3.966 14.725 ( 8.555 -0.071 -8.510) 12.067 18.991 ( -2.459 6.526 -0.089) 6.975 19.440 ( 0.939 25.388 -20.741) 32.796 19.808 ( 3.474 4.654 -1.515) 6.001 20.482 ( 24.886 -0.866 -2.727) 25.050 21.569 ( 8.564 0.271 -4.541) 9.698 21.753 ( 2.912 -0.806 -3.832) 4.881 21.824 ( -21.633 3.052 -0.781) 21.861 21.944 ( -14.779 -1.228 0.193) 14.831 23.648 ( -4.396 -2.798 5.339) 7.460 23.830 ( 2.071 -0.858 -0.743) 2.361 24.301 ( -16.488 2.498 -2.150) 16.814 24.359 ( -2.692 0.078 -0.386) 2.721 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 15.855 17.837 11.125) 26.331 1.160 ( 15.962 15.154 21.550) 30.803 1.433 ( 22.863 16.668 19.874) 34.577 2.053 ( 11.799 0.763 1.329) 11.898 2.386 ( 5.338 7.197 10.011) 13.435 2.729 ( 6.509 -6.466 -1.526) 9.301 2.856 ( 1.237 -2.324 -4.346) 5.081 3.026 ( -7.495 1.879 -1.496) 7.870 3.107 ( -3.360 -2.207 -1.067) 4.159 3.182 ( -0.427 -2.310 2.770) 3.632 3.412 ( 2.273 0.377 -5.506) 5.969 3.475 ( -4.147 1.962 -0.372) 4.603 3.604 ( -1.275 -2.202 -1.506) 2.956 3.723 ( -3.084 -3.834 1.481) 5.138 3.889 ( 7.231 2.002 0.594) 7.527 4.069 ( 1.021 7.288 -2.731) 7.849 4.270 ( 9.247 2.131 1.252) 9.572 4.325 ( -6.529 1.500 2.267) 7.072 4.460 ( -8.040 6.216 -1.436) 10.264 4.672 ( 4.481 -1.289 -1.737) 4.976 4.738 ( 2.200 2.559 -4.355) 5.510 5.042 ( -5.263 -5.060 -2.795) 7.817 5.491 ( 5.969 0.596 -2.945) 6.683 5.527 ( 7.253 -1.500 2.186) 7.723 5.735 ( -6.036 -1.357 4.580) 7.698 5.905 ( -0.670 -7.539 -0.639) 7.596 6.112 ( 1.198 2.244 -2.018) 3.247 6.158 ( 1.409 0.612 -0.353) 1.576 6.405 ( -0.348 5.054 -2.196) 5.522 6.617 ( 3.676 -1.148 -7.173) 8.141 6.808 ( 16.951 -7.445 -5.140) 19.214 6.882 ( 8.412 -2.617 -0.654) 8.834 7.039 ( 0.005 -5.600 -0.850) 5.665 7.339 ( 1.702 3.727 -3.507) 5.393 7.592 ( 5.383 -11.732 3.256) 13.312 7.781 ( 0.321 -3.666 -0.328) 3.694 8.235 ( -3.070 6.362 -4.988) 8.648 8.306 ( -0.367 3.397 -0.232) 3.425 8.564 ( 0.510 2.312 -4.016) 4.662 8.752 ( 4.949 5.255 -4.425) 8.467 9.244 ( -2.205 2.623 5.413) 6.406 9.409 ( 0.759 2.817 2.247) 3.683 9.932 ( 3.955 4.708 -4.000) 7.335 10.041 ( -1.217 15.867 -9.807) 18.693 10.337 ( -0.362 2.672 -0.025) 2.696 10.568 ( 1.464 2.972 -2.553) 4.183 10.864 ( -4.599 -2.828 1.795) 5.689 11.122 ( -3.361 -1.929 -0.370) 3.893 11.824 ( -2.975 2.053 6.147) 7.131 12.271 ( -10.832 -5.452 18.809) 22.379 12.441 ( 1.896 -2.526 0.620) 3.219 12.586 ( -1.567 -6.377 1.035) 6.648 13.023 ( 1.010 -0.234 4.908) 5.016 13.258 ( -6.095 -11.161 9.878) 16.103 13.400 ( -11.690 2.409 -0.270) 11.939 13.859 ( -11.423 -0.627 0.714) 11.462 13.967 ( -3.997 -0.780 0.125) 4.075 14.129 ( 8.213 2.490 -0.241) 8.585 14.381 ( 14.379 -7.102 0.443) 16.044 15.066 ( 16.466 -17.598 -5.622) 24.747 18.937 ( -3.188 6.708 -1.563) 7.590 19.203 ( -15.645 23.522 -7.473) 29.222 19.824 ( -0.418 4.215 -1.156) 4.391 20.270 ( -20.673 -0.542 14.295) 25.140 21.485 ( -7.504 2.716 1.212) 8.072 21.854 ( 5.569 -2.120 -10.182) 11.798 21.960 ( 9.697 -2.008 4.650) 10.940 22.418 ( 51.962 -13.188 -30.455) 61.656 23.600 ( -1.770 -0.135 5.613) 5.887 23.896 ( 5.180 -2.233 -0.594) 5.672 24.042 ( -6.976 13.033 -3.781) 15.259 24.412 ( 4.299 0.411 0.307) 4.329 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 12.511 17.341 10.913) 24.007 1.470 ( 9.384 9.342 29.622) 32.447 1.974 ( 15.014 7.003 3.010) 16.838 2.208 ( 7.508 -4.428 6.167) 10.678 2.620 ( 12.796 8.956 9.014) 18.033 2.808 ( -0.963 2.829 -3.994) 4.988 2.850 ( 5.195 -6.467 -3.212) 8.895 2.951 ( 0.646 3.368 -2.886) 4.482 3.044 ( -1.250 -5.399 -3.331) 6.466 3.247 ( 6.272 -3.613 2.417) 7.631 3.444 ( 0.410 1.998 -6.952) 7.245 3.490 ( 6.702 -1.561 0.828) 6.931 3.566 ( -1.465 2.748 -0.537) 3.160 3.694 ( -0.896 -5.038 0.237) 5.123 4.022 ( 6.704 7.176 -1.875) 9.998 4.079 ( -0.838 1.323 1.367) 2.079 4.169 ( -3.098 2.292 1.327) 4.076 4.357 ( -1.072 4.878 2.777) 5.714 4.470 ( -0.532 4.362 -2.072) 4.858 4.711 ( 9.532 0.192 -0.644) 9.555 4.865 ( 7.120 -0.948 -3.167) 7.851 4.958 ( -2.517 -6.068 -1.724) 6.792 5.596 ( 4.299 -0.460 -4.165) 6.004 5.622 ( -5.230 -2.130 7.574) 9.447 5.660 ( 5.661 0.678 1.481) 5.891 5.905 ( 0.716 -4.413 -1.649) 4.765 6.087 ( -1.870 -0.599 -3.292) 3.833 6.204 ( 2.097 -0.930 1.234) 2.605 6.420 ( 1.997 4.026 -0.904) 4.584 6.585 ( -3.697 -3.434 -8.508) 9.891 6.878 ( -3.734 -2.630 -0.882) 4.652 6.957 ( -0.055 -2.675 1.238) 2.948 7.085 ( 2.550 -3.269 -3.045) 5.144 7.464 ( 9.603 2.391 -10.225) 14.230 7.697 ( 2.674 -11.575 2.153) 12.073 7.774 ( 0.220 -3.526 1.990) 4.055 8.163 ( -2.240 8.718 -1.300) 9.095 8.312 ( 0.360 0.848 -0.711) 1.164 8.576 ( 1.806 4.275 -1.722) 4.950 8.823 ( 3.062 0.497 -3.333) 4.553 9.243 ( 0.480 3.441 2.955) 4.561 9.452 ( 2.636 0.630 2.924) 3.987 10.004 ( -0.383 11.785 -3.917) 12.425 10.043 ( 8.631 5.872 -5.319) 11.716 10.339 ( 0.533 1.281 -0.267) 1.413 10.587 ( 1.296 3.151 -2.949) 4.506 10.775 ( -5.114 -1.639 0.610) 5.405 11.025 ( -6.395 -0.862 -0.886) 6.514 11.780 ( -3.433 2.140 6.010) 7.244 12.137 ( -8.053 0.949 16.141) 18.063 12.517 ( 4.543 -1.331 -0.963) 4.831 12.560 ( -0.807 -8.986 1.908) 9.222 13.017 ( -5.821 -0.008 2.529) 6.346 13.137 ( -3.241 -0.383 0.507) 3.302 13.254 ( -5.048 -2.486 4.467) 7.185 13.629 ( -10.011 3.511 0.187) 10.611 13.875 ( -5.152 -0.640 -0.473) 5.213 14.262 ( 5.226 4.398 -0.571) 6.854 14.645 ( 11.278 -11.572 0.354) 16.162 15.225 ( 3.350 -11.372 -3.567) 12.380 18.817 ( -8.950 10.958 1.625) 14.242 19.005 ( -2.416 8.682 -2.937) 9.479 19.799 ( -3.137 -5.594 4.414) 7.786 20.079 ( -4.612 3.032 4.503) 7.123 21.379 ( -4.435 2.213 1.231) 5.107 21.887 ( 2.649 1.199 -7.950) 8.465 22.177 ( 9.327 -3.336 6.185) 11.678 23.083 ( 26.473 -15.677 -23.285) 38.585 23.610 ( 0.845 0.903 3.472) 3.685 23.952 ( -1.985 11.759 -1.574) 12.029 24.029 ( 8.707 -6.133 -5.972) 12.210 24.507 ( 5.364 2.435 -0.899) 5.960 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 2.383 14.820 10.389) 18.255 1.727 ( 8.570 6.778 25.748) 27.970 1.949 ( -10.840 6.658 7.496) 14.765 2.355 ( 5.935 -5.220 0.157) 7.905 2.779 ( -2.983 0.692 -2.082) 3.703 2.809 ( -2.927 0.586 -1.683) 3.427 2.948 ( 7.176 -0.637 -1.764) 7.417 3.024 ( 13.155 1.359 0.965) 13.260 3.118 ( 6.506 -4.380 -1.616) 8.008 3.404 ( 5.168 -0.348 6.045) 7.961 3.424 ( 2.373 1.147 -8.373) 8.778 3.541 ( -1.314 3.824 -1.086) 4.187 3.643 ( 4.595 -3.620 2.130) 6.225 3.691 ( 2.830 -3.169 -1.116) 4.393 4.020 ( -2.405 4.134 4.235) 6.389 4.150 ( 4.488 1.812 0.429) 4.860 4.192 ( 2.838 5.140 -0.856) 5.933 4.371 ( -4.594 4.275 -0.476) 6.294 4.397 ( 1.797 4.592 1.397) 5.125 4.883 ( 3.050 -5.144 -3.046) 6.711 4.955 ( 5.177 -3.340 -4.638) 7.712 4.996 ( 7.110 -0.125 -1.424) 7.252 5.511 ( -5.365 -1.048 3.963) 6.751 5.660 ( -0.816 -0.186 1.477) 1.698 5.777 ( 6.615 2.203 -0.535) 6.992 5.922 ( 1.115 -3.928 -1.177) 4.249 6.043 ( -0.772 1.567 -0.985) 2.005 6.256 ( 3.485 -4.623 -1.604) 6.008 6.403 ( -4.629 -5.879 -2.712) 7.959 6.514 ( 0.465 3.840 -6.298) 7.392 6.751 ( -7.266 -1.603 -1.781) 7.651 6.881 ( -6.025 3.669 -0.335) 7.062 7.159 ( 4.229 -2.522 -0.313) 4.934 7.546 ( 1.821 2.189 -7.661) 8.173 7.693 ( -0.882 -8.519 0.271) 8.569 7.818 ( 1.923 -3.894 2.391) 4.957 8.153 ( 0.671 7.466 1.569) 7.658 8.308 ( -0.337 -1.482 -1.367) 2.044 8.623 ( 3.053 2.169 -0.477) 3.776 8.843 ( -0.313 0.356 -0.350) 0.589 9.270 ( 1.518 3.905 1.448) 4.433 9.512 ( 2.135 -0.512 3.719) 4.319 9.988 ( -0.237 10.270 -2.540) 10.582 10.223 ( 10.875 6.410 -5.980) 13.968 10.356 ( 1.333 -0.449 0.666) 1.557 10.599 ( 0.942 2.548 -4.028) 4.859 10.677 ( -5.077 -0.942 1.619) 5.411 10.886 ( -7.006 2.385 -1.334) 7.520 11.735 ( -3.048 2.061 5.889) 6.944 12.059 ( -4.723 2.269 11.803) 12.914 12.512 ( -1.597 -7.122 -1.957) 7.557 12.639 ( 4.565 -3.698 2.037) 6.218 12.870 ( -5.910 0.292 -0.783) 5.968 13.157 ( 1.255 5.746 3.885) 7.048 13.182 ( -3.029 -7.855 2.171) 8.694 13.494 ( -4.771 4.010 0.634) 6.264 13.787 ( -3.298 -0.100 -0.143) 3.303 14.323 ( 1.608 5.470 -1.985) 6.037 14.801 ( 4.927 -13.305 0.569) 14.199 15.236 ( 0.022 -4.362 -3.589) 5.648 18.680 ( -5.622 7.534 3.129) 9.908 19.005 ( 2.203 3.895 -3.582) 5.732 19.723 ( -6.064 -8.610 6.886) 12.583 20.065 ( 1.517 0.259 -0.739) 1.707 21.317 ( -2.535 2.809 1.051) 3.927 21.915 ( 2.763 5.456 -8.200) 10.229 22.323 ( 3.263 -4.831 6.967) 9.084 23.389 ( 12.958 -9.549 -11.065) 19.533 23.628 ( -0.533 -0.056 2.628) 2.683 23.920 ( -0.745 10.753 -3.881) 11.457 24.184 ( 8.236 -11.106 -2.508) 14.052 24.601 ( 4.973 3.905 -3.200) 7.087 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -5.323 13.085 8.472) 16.472 1.698 ( -15.768 6.782 9.816) 19.773 1.959 ( 6.855 7.553 18.934) 21.507 2.468 ( 0.551 0.029 -3.532) 3.575 2.628 ( -3.100 0.343 4.065) 5.124 2.826 ( 3.902 -1.496 -5.853) 7.192 3.055 ( 3.612 -6.254 1.919) 7.473 3.208 ( 1.768 -2.918 4.102) 5.336 3.231 ( 6.531 -3.757 -1.883) 7.766 3.390 ( -3.382 2.156 0.812) 4.092 3.460 ( -2.346 -1.230 -0.475) 2.691 3.556 ( 3.196 5.580 -2.888) 7.050 3.640 ( -1.450 -1.539 -0.616) 2.202 3.768 ( 1.076 -2.508 1.126) 2.953 3.996 ( -3.001 4.115 3.481) 6.169 4.189 ( -0.348 -0.292 2.054) 2.104 4.203 ( -1.405 5.559 0.804) 5.790 4.348 ( 2.230 4.144 -2.120) 5.161 4.409 ( -1.217 6.946 1.262) 7.164 4.897 ( -0.058 -5.716 -2.449) 6.219 5.004 ( 1.223 -5.293 -5.829) 7.968 5.082 ( 0.736 -0.107 -3.764) 3.837 5.437 ( -3.761 0.857 3.991) 5.550 5.598 ( -4.057 2.582 -1.985) 5.202 5.839 ( -1.649 -1.221 -2.169) 2.985 5.967 ( 5.041 -1.599 2.130) 5.701 6.059 ( 1.198 2.625 0.233) 2.895 6.277 ( -4.420 -7.894 -2.944) 9.514 6.353 ( 4.869 -3.973 -1.690) 6.507 6.522 ( 2.564 1.312 -6.682) 7.277 6.669 ( 0.964 0.040 -2.267) 2.464 6.776 ( -4.589 6.111 -0.259) 7.647 7.216 ( 1.481 -0.629 0.516) 1.690 7.530 ( -0.161 0.285 -4.856) 4.867 7.692 ( 0.372 -9.520 -0.649) 9.549 7.852 ( 1.039 -2.254 1.966) 3.166 8.174 ( 0.526 7.142 2.343) 7.535 8.297 ( -0.251 -3.009 -1.609) 3.421 8.664 ( 0.678 1.155 0.019) 1.339 8.817 ( -2.026 1.327 0.105) 2.425 9.304 ( 1.559 4.016 1.144) 4.457 9.549 ( 0.378 -1.666 4.632) 4.937 9.982 ( 0.488 9.120 -2.241) 9.404 10.323 ( -0.247 5.539 -4.141) 6.920 10.428 ( 4.132 1.382 -1.364) 4.566 10.579 ( -1.227 0.654 -1.461) 2.017 10.620 ( -0.140 -0.473 0.009) 0.493 10.813 ( 1.597 5.640 -0.896) 5.930 11.701 ( -2.308 1.656 5.703) 6.371 12.019 ( -3.096 2.256 9.557) 10.296 12.478 ( -1.015 -7.551 -3.016) 8.194 12.669 ( -1.420 -2.909 -0.193) 3.243 12.852 ( 3.068 0.182 2.727) 4.109 13.112 ( -2.994 -3.536 -0.327) 4.645 13.210 ( 0.633 1.358 5.111) 5.326 13.434 ( -1.315 3.357 -0.314) 3.619 13.765 ( 1.100 0.390 1.049) 1.570 14.320 ( -0.803 6.156 -3.415) 7.085 14.844 ( -0.466 -14.335 0.585) 14.354 15.221 ( -0.369 -1.098 -4.176) 4.334 18.622 ( -1.351 6.086 2.502) 6.718 19.048 ( 3.026 3.039 -2.678) 5.056 19.634 ( -4.543 -7.945 5.271) 10.561 20.102 ( 1.862 -2.997 -0.178) 3.533 21.285 ( -0.986 2.756 0.305) 2.943 21.937 ( 1.947 8.859 -8.049) 12.127 22.332 ( -4.347 -5.854 5.344) 9.040 23.558 ( 7.553 -4.919 -4.740) 10.184 23.593 ( -3.971 -2.248 2.318) 5.118 23.893 ( -0.865 7.549 -4.496) 8.829 24.313 ( 4.924 -10.251 1.458) 11.465 24.681 ( 4.720 2.422 -3.787) 6.518 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -9.077 12.790 8.616) 17.894 1.420 ( -15.256 10.933 11.301) 21.909 2.107 ( 2.751 7.046 13.526) 15.498 2.318 ( -8.213 4.163 -3.620) 9.894 2.710 ( 1.182 -2.558 4.410) 5.233 2.906 ( 4.450 -2.599 -1.237) 5.300 3.059 ( -11.743 5.027 3.351) 13.206 3.139 ( -2.493 -7.824 4.122) 9.188 3.249 ( -6.672 -6.987 1.247) 9.741 3.296 ( -1.466 -2.286 3.243) 4.230 3.452 ( 1.230 -1.981 -3.702) 4.375 3.573 ( -2.919 -2.040 -1.798) 3.989 3.626 ( 1.318 2.026 -1.792) 3.009 3.749 ( -0.810 4.474 -0.173) 4.550 3.909 ( -5.364 1.731 3.144) 6.454 4.130 ( -4.539 2.305 1.009) 5.190 4.216 ( -0.726 5.675 -3.900) 6.924 4.343 ( -2.847 6.950 1.957) 7.761 4.420 ( 4.334 5.240 1.301) 6.924 4.821 ( -8.315 -3.942 -6.959) 11.536 4.963 ( -2.822 -3.113 -1.920) 4.620 5.032 ( -2.605 -6.125 -2.801) 7.221 5.385 ( -2.544 1.054 1.122) 2.974 5.521 ( -3.227 2.581 -4.520) 6.124 5.810 ( 0.346 -0.459 0.717) 0.919 6.012 ( -0.121 -0.525 1.307) 1.413 6.134 ( 5.349 1.696 3.270) 6.495 6.166 ( -5.004 -5.575 -3.963) 8.475 6.432 ( 0.968 -2.757 -1.122) 3.130 6.599 ( 7.314 -4.494 -6.816) 10.961 6.692 ( -2.097 6.379 -1.941) 6.990 6.759 ( 5.953 0.503 -3.493) 6.921 7.217 ( -1.564 2.350 0.917) 2.968 7.538 ( 2.678 -1.494 -5.435) 6.240 7.685 ( -1.556 -13.216 0.665) 13.324 7.861 ( -1.470 -5.784 2.199) 6.361 8.193 ( 1.146 6.915 0.870) 7.063 8.296 ( 0.994 -0.087 -0.580) 1.154 8.646 ( -2.098 3.985 0.287) 4.512 8.775 ( -1.978 2.081 -1.388) 3.189 9.334 ( 1.164 3.378 0.773) 3.655 9.557 ( -1.127 -4.154 5.483) 6.971 9.999 ( 2.148 9.027 -2.258) 9.550 10.224 ( -7.747 0.123 -3.069) 8.333 10.428 ( -1.040 9.861 0.248) 9.919 10.562 ( -0.333 3.363 -3.633) 4.962 10.718 ( 8.259 -4.198 1.804) 9.439 10.924 ( 8.478 4.977 -1.209) 9.905 11.680 ( -1.803 1.143 6.047) 6.413 11.996 ( -2.386 1.767 10.466) 10.879 12.456 ( -0.295 -7.528 -3.858) 8.464 12.631 ( -2.230 -2.817 1.002) 3.730 12.937 ( 3.451 -1.891 2.810) 4.835 13.065 ( -0.938 -3.514 -1.478) 3.926 13.209 ( -1.409 2.974 3.920) 5.118 13.462 ( 4.572 3.669 -0.489) 5.882 13.829 ( 4.513 0.281 2.155) 5.009 14.274 ( -2.763 6.460 -4.411) 8.296 14.789 ( -5.519 -14.980 0.199) 15.965 15.188 ( -1.943 -0.459 -5.155) 5.528 18.647 ( 3.605 8.202 1.355) 9.062 19.090 ( 1.443 4.075 -0.219) 4.329 19.599 ( -0.054 -6.833 2.197) 7.178 20.121 ( -0.368 -2.164 1.914) 2.913 21.284 ( 1.202 1.257 -0.747) 1.893 21.938 ( 0.506 9.644 -6.991) 11.922 22.201 ( -9.726 -5.454 1.701) 11.280 23.477 ( -8.759 -3.442 0.722) 9.439 23.663 ( 4.310 -3.704 -1.200) 5.808 23.860 ( -1.114 3.682 -4.360) 5.814 24.370 ( 0.594 -5.545 1.213) 5.707 24.769 ( 5.002 -3.802 -0.295) 6.290 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -14.506 10.655 20.218) 27.069 1.214 ( -11.820 19.831 8.012) 24.436 2.099 ( -11.998 7.724 9.126) 16.938 2.156 ( -12.169 5.352 -2.370) 13.504 2.427 ( -20.005 2.745 6.121) 21.100 2.915 ( -1.547 -3.121 2.281) 4.164 2.990 ( 1.383 3.775 2.792) 4.895 3.096 ( -8.620 -4.400 2.737) 10.057 3.195 ( 1.697 -8.785 3.010) 9.441 3.229 ( -3.320 -3.135 1.414) 4.780 3.412 ( -4.424 -4.244 -5.168) 8.018 3.491 ( -2.376 -1.489 1.142) 3.028 3.643 ( 0.778 -2.189 -1.997) 3.064 3.777 ( 1.090 6.547 2.918) 7.251 3.883 ( 3.646 2.472 -1.410) 4.625 4.027 ( -7.865 4.722 -1.795) 9.348 4.114 ( -2.402 5.820 -5.555) 8.396 4.338 ( 1.412 9.997 3.503) 10.686 4.490 ( -10.694 2.876 -2.904) 11.448 4.629 ( 4.171 -2.132 -2.561) 5.338 4.946 ( -0.471 -5.766 -2.235) 6.202 4.994 ( 0.771 -4.751 -0.058) 4.814 5.347 ( -1.150 1.098 -1.828) 2.422 5.432 ( -4.674 1.364 -4.993) 6.974 5.850 ( 2.331 0.127 3.714) 4.386 6.011 ( -1.010 -2.135 2.085) 3.150 6.080 ( -2.467 -2.593 -3.870) 5.271 6.218 ( 0.927 0.308 2.777) 2.944 6.389 ( -2.428 -0.615 -1.928) 3.160 6.633 ( -0.582 -0.026 -10.299) 10.315 6.744 ( 5.492 -1.137 -0.781) 5.662 6.811 ( -0.653 -1.800 -4.845) 5.209 7.180 ( -1.681 3.861 0.411) 4.232 7.578 ( 1.246 -5.308 -5.728) 7.908 7.639 ( -1.889 -12.037 1.931) 12.337 7.781 ( -7.877 -12.949 2.621) 15.382 8.216 ( 1.515 3.886 -2.627) 4.929 8.345 ( 3.435 4.877 0.814) 6.021 8.616 ( -0.400 8.053 0.223) 8.066 8.737 ( -1.401 2.448 -3.290) 4.333 9.350 ( 0.269 2.180 -0.022) 2.196 9.536 ( -2.947 -6.429 5.908) 9.215 10.049 ( 0.441 4.612 -1.810) 4.975 10.072 ( -2.736 6.193 -4.719) 8.252 10.417 ( -0.250 9.024 0.292) 9.033 10.550 ( 0.183 4.444 -3.746) 5.815 10.899 ( 9.257 -4.418 3.066) 10.705 11.073 ( 6.425 3.245 -2.782) 7.717 11.685 ( 0.983 0.939 9.938) 10.031 12.000 ( -0.879 -0.253 16.536) 16.561 12.433 ( -1.157 -7.424 -3.262) 8.191 12.601 ( -1.145 -3.113 2.097) 3.924 12.942 ( -2.138 -3.225 -1.709) 4.230 13.051 ( -2.856 -3.118 0.310) 4.240 13.282 ( 9.815 5.078 3.376) 11.555 13.598 ( 9.282 2.865 -0.849) 9.751 13.929 ( 4.712 -0.208 2.432) 5.306 14.186 ( -4.825 7.095 -4.574) 9.723 14.622 ( -12.166 -15.260 -0.210) 19.518 15.097 ( -6.133 -0.897 -7.269) 9.553 18.785 ( 11.312 14.912 -0.762) 18.732 19.098 ( -0.485 6.849 1.432) 7.014 19.644 ( 3.735 -6.045 1.230) 7.211 20.096 ( -2.741 2.137 3.135) 4.680 21.336 ( 4.686 -0.859 -1.401) 4.966 21.908 ( -2.521 4.955 -4.311) 7.035 22.008 ( -8.601 -1.470 -3.234) 9.305 23.246 ( -15.641 -6.815 -3.560) 17.429 23.716 ( 0.984 -2.314 1.527) 2.942 23.827 ( -0.809 0.323 -4.066) 4.158 24.358 ( -1.349 -2.208 -0.726) 2.688 24.844 ( 1.112 -12.442 1.888) 12.634 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -13.442 12.468 23.157) 29.536 1.000 ( -11.971 23.024 13.144) 29.089 1.480 ( -37.485 17.424 16.424) 44.480 1.979 ( -9.583 6.300 -5.548) 12.740 2.313 ( -1.249 3.046 9.395) 9.955 2.798 ( -7.941 -7.388 0.605) 10.863 2.933 ( -8.708 -1.702 0.657) 8.897 3.081 ( 5.303 3.516 3.330) 7.181 3.147 ( 0.156 -2.639 -0.270) 2.658 3.236 ( -4.843 -1.552 -1.576) 5.324 3.367 ( 3.872 -7.895 0.783) 8.828 3.523 ( 4.649 -2.544 0.219) 5.304 3.666 ( 2.762 1.849 -0.664) 3.390 3.753 ( -5.144 -0.106 2.706) 5.813 3.856 ( -1.913 5.255 -1.196) 5.719 4.016 ( -0.278 6.293 -2.707) 6.857 4.130 ( 5.106 4.088 -5.984) 8.865 4.211 ( -7.732 2.497 -2.255) 8.432 4.425 ( 7.841 11.308 -1.380) 13.830 4.768 ( 5.442 -0.258 -1.956) 5.789 4.852 ( -8.280 -4.092 1.932) 9.436 5.109 ( 9.283 -3.970 -1.502) 10.208 5.310 ( -4.792 -0.312 -2.785) 5.551 5.346 ( 0.777 1.424 -3.568) 3.920 5.887 ( -0.941 2.205 4.590) 5.178 5.975 ( -3.270 -5.976 1.950) 7.086 6.044 ( -0.007 -0.702 -2.892) 2.976 6.180 ( -2.707 0.621 -1.855) 3.340 6.394 ( 2.294 0.711 -1.847) 3.030 6.539 ( -7.120 -2.113 -7.378) 10.469 6.734 ( -3.576 -1.502 -4.923) 6.267 6.780 ( -3.051 -0.202 -3.045) 4.316 7.151 ( -2.196 -1.826 1.170) 3.087 7.495 ( -6.653 -9.934 0.609) 11.971 7.599 ( -8.816 -14.176 2.185) 16.836 7.684 ( 3.576 -5.110 -2.026) 6.557 8.238 ( 1.686 2.393 -3.376) 4.468 8.391 ( 1.032 4.708 -2.056) 5.240 8.630 ( 0.945 6.827 -0.452) 6.907 8.690 ( -2.142 4.769 -4.819) 7.110 9.342 ( -1.321 0.017 0.274) 1.349 9.477 ( -4.757 -3.814 5.293) 8.074 9.954 ( -3.567 2.096 -2.133) 4.654 10.132 ( 4.196 11.224 -11.495) 16.604 10.409 ( -0.971 8.982 -2.301) 9.323 10.544 ( 0.410 4.119 -3.648) 5.518 11.042 ( 1.654 -3.398 0.374) 3.798 11.113 ( 0.737 -1.483 -3.306) 3.698 11.806 ( 5.193 2.356 8.880) 10.553 12.161 ( 13.650 -16.198 40.391) 45.609 12.401 ( -0.547 -6.099 -1.440) 6.290 12.601 ( 0.311 -3.432 1.581) 3.791 12.882 ( -2.336 0.711 -1.195) 2.718 12.994 ( -1.899 -1.165 2.625) 3.443 13.546 ( 14.871 2.658 3.654) 15.542 13.756 ( 4.287 -0.401 -4.181) 6.002 14.004 ( 1.589 -0.222 2.080) 2.627 14.111 ( 1.588 8.819 -2.300) 9.252 14.324 ( -17.531 -11.682 -0.919) 21.087 14.893 ( -12.244 0.209 -9.140) 15.281 19.011 ( 3.317 8.988 0.134) 9.581 19.187 ( 20.164 28.598 -11.156) 36.728 19.725 ( 3.065 -7.151 6.455) 10.109 20.085 ( 4.096 7.841 2.902) 9.310 21.455 ( 7.575 -1.926 -0.765) 7.853 21.782 ( -6.840 -3.302 -3.424) 8.332 21.917 ( -1.214 4.470 -5.136) 6.916 22.782 ( -34.189 -11.770 -10.040) 37.526 23.707 ( -2.590 -2.473 3.257) 4.841 23.812 ( 0.440 -1.116 -2.617) 2.879 24.334 ( -0.456 -1.303 -1.105) 1.768 24.735 ( -14.910 -16.840 -2.471) 22.627 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -1.406 22.246 7.171) 23.415 1.391 ( -0.672 20.419 22.007) 30.029 1.778 ( -2.646 27.619 9.970) 29.483 2.007 ( 0.302 7.789 -2.513) 8.190 2.336 ( 1.264 -4.317 9.156) 10.202 2.534 ( -2.263 -7.344 5.960) 9.725 2.747 ( 0.481 -7.583 -2.328) 7.947 3.042 ( -2.801 -5.393 -7.708) 9.816 3.132 ( -0.967 0.752 1.931) 2.287 3.253 ( -0.401 3.173 2.161) 3.860 3.372 ( 4.442 -0.604 5.871) 7.387 3.500 ( -1.563 0.776 -2.067) 2.705 3.656 ( -5.601 1.027 0.291) 5.702 3.813 ( -4.278 0.004 -3.151) 5.313 3.865 ( -1.323 3.719 -2.360) 4.599 3.998 ( 8.477 0.307 2.135) 8.747 4.346 ( 1.633 4.030 -2.842) 5.194 4.405 ( 9.139 6.845 -3.037) 11.815 4.571 ( -7.606 -5.474 -2.879) 9.803 4.580 ( 2.065 -3.992 -2.431) 5.110 4.765 ( -0.655 -3.182 -1.731) 3.681 5.106 ( -3.202 -2.412 -7.090) 8.145 5.318 ( 5.180 1.360 2.358) 5.851 5.459 ( 4.686 2.600 -3.861) 6.606 5.744 ( -3.540 -8.250 1.674) 9.132 5.833 ( -8.132 -1.249 0.205) 8.230 6.127 ( 4.994 5.208 0.104) 7.216 6.276 ( 3.478 7.228 -5.889) 9.951 6.359 ( -0.125 -0.629 3.507) 3.565 6.531 ( 5.821 3.096 -3.129) 7.298 6.648 ( -1.653 0.193 -0.436) 1.721 6.733 ( 1.273 -3.154 -1.981) 3.936 6.972 ( -3.569 -3.912 1.547) 5.517 7.228 ( 0.434 -11.106 2.067) 11.305 7.429 ( -0.053 0.515 -2.696) 2.745 7.627 ( 3.642 -6.445 -2.115) 7.699 8.304 ( 0.378 3.342 -3.508) 4.859 8.459 ( -1.211 3.979 -1.070) 4.294 8.542 ( -2.702 -2.738 -3.355) 5.104 8.783 ( 0.838 -1.952 -1.234) 2.457 9.348 ( -2.513 4.839 5.871) 8.012 9.534 ( -0.887 5.779 4.229) 7.215 9.990 ( 0.462 5.469 0.343) 5.499 10.342 ( 2.951 6.344 -11.624) 13.568 10.537 ( -2.289 7.615 -5.632) 9.744 10.632 ( -0.548 4.285 -5.634) 7.100 10.866 ( -6.025 -4.041 4.878) 8.743 11.069 ( 1.117 -5.431 1.051) 5.644 11.927 ( -3.058 4.166 6.151) 8.033 12.057 ( 4.310 -7.693 19.921) 21.785 12.303 ( 2.525 -7.628 5.092) 9.513 12.482 ( -0.932 -7.095 -0.464) 7.171 12.933 ( 1.227 0.038 4.803) 4.957 13.033 ( 4.540 -1.176 5.655) 7.347 13.666 ( -8.028 1.844 -4.026) 9.168 13.825 ( 6.576 -1.168 2.726) 7.214 13.994 ( -2.474 -0.445 0.731) 2.618 14.030 ( -1.295 -0.360 1.200) 1.802 14.340 ( 2.461 3.654 -2.517) 5.074 14.646 ( 0.906 -5.488 -5.826) 8.055 19.161 ( -2.768 8.806 1.373) 9.332 19.564 ( -3.883 -2.920 2.429) 5.432 20.070 ( 7.793 13.491 -12.476) 19.960 20.459 ( 8.329 -1.423 -2.949) 8.949 21.567 ( 11.285 0.023 -6.423) 12.985 21.716 ( 12.269 -2.794 -6.496) 14.161 21.870 ( -20.100 1.425 1.146) 20.183 21.922 ( -12.300 -0.754 2.019) 12.488 23.643 ( -2.208 1.569 4.139) 4.947 23.799 ( 1.359 -1.926 0.407) 2.392 24.320 ( -0.820 0.098 -1.276) 1.520 24.355 ( -4.386 -0.610 -0.295) 4.438 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 16.769 17.581 5.709) 24.958 1.519 ( 6.202 17.915 23.314) 30.050 1.908 ( 13.128 23.751 7.083) 28.047 2.111 ( 7.085 4.023 2.164) 8.430 2.465 ( 9.399 -5.435 4.370) 11.704 2.563 ( 4.310 -2.949 6.347) 8.219 2.808 ( 4.884 -3.531 -2.756) 6.627 2.927 ( -4.800 -5.366 -4.044) 8.258 3.139 ( -0.608 -0.993 1.744) 2.097 3.223 ( -3.498 6.945 2.691) 8.228 3.400 ( -2.283 -0.900 -3.521) 4.292 3.474 ( 2.143 -0.946 3.991) 4.628 3.593 ( -1.097 -1.839 -2.470) 3.269 3.659 ( -5.283 0.561 -2.473) 5.860 3.961 ( 7.677 4.759 -2.166) 9.288 4.176 ( 4.338 0.467 -1.151) 4.512 4.296 ( -6.360 -0.447 0.291) 6.383 4.394 ( 1.842 3.342 0.187) 3.821 4.550 ( 0.801 4.250 -4.749) 6.423 4.631 ( 2.466 -2.105 0.067) 3.243 4.780 ( 4.335 0.229 -1.828) 4.710 4.960 ( -7.791 -1.567 -4.759) 9.263 5.458 ( 6.750 -1.820 2.633) 7.470 5.540 ( 5.758 1.506 -4.701) 7.585 5.687 ( -6.786 -3.395 0.113) 7.589 5.727 ( 1.367 -7.883 1.284) 8.103 6.165 ( -5.496 2.210 -3.717) 6.994 6.220 ( 2.533 4.900 3.132) 6.343 6.503 ( -1.858 2.942 -0.130) 3.482 6.524 ( 4.077 -3.408 -7.484) 9.179 6.758 ( 8.101 -1.174 -0.009) 8.185 6.828 ( 5.908 -2.739 2.852) 7.109 6.963 ( 4.008 -1.276 -1.908) 4.618 7.283 ( 4.727 -10.065 0.557) 11.134 7.455 ( 4.001 1.022 -1.984) 4.581 7.683 ( 2.248 -5.267 -0.425) 5.743 8.296 ( -0.262 2.472 -4.420) 5.071 8.429 ( -1.403 5.779 -0.676) 5.985 8.527 ( 2.277 -3.270 -4.531) 6.034 8.793 ( 0.794 -2.377 -1.267) 2.808 9.334 ( -0.704 5.743 5.529) 8.003 9.524 ( -1.190 5.708 4.047) 7.097 10.019 ( 2.552 4.730 0.560) 5.403 10.353 ( 2.044 10.078 -12.449) 16.147 10.440 ( -5.007 7.403 -2.919) 9.401 10.628 ( 1.446 2.343 -3.855) 4.737 10.803 ( -2.823 -2.085 4.263) 5.522 11.054 ( -2.496 -4.794 -0.395) 5.420 11.886 ( -3.116 3.622 5.983) 7.657 12.149 ( 0.000 -5.007 15.487) 16.276 12.338 ( -0.096 -6.625 6.089) 8.999 12.451 ( -1.370 -6.014 -1.582) 6.368 12.991 ( 2.699 -1.579 3.930) 5.022 13.110 ( -0.963 -3.356 6.891) 7.725 13.475 ( -9.383 4.311 -1.041) 10.379 13.806 ( -7.384 -4.235 0.109) 8.513 13.956 ( -3.681 -0.124 0.931) 3.799 14.081 ( 7.483 -4.420 -0.792) 8.727 14.383 ( 5.020 5.163 -0.387) 7.212 14.806 ( 12.678 -8.968 -5.446) 16.457 19.098 ( -3.716 8.321 -0.437) 9.124 19.447 ( -8.921 1.663 -1.105) 9.141 20.000 ( -13.437 10.272 -5.317) 17.729 20.265 ( -14.902 -0.034 5.598) 15.919 21.556 ( -8.575 3.924 3.504) 10.060 21.829 ( 8.197 0.024 -10.140) 13.039 21.898 ( 8.026 -3.437 3.931) 9.575 22.192 ( 35.418 -8.723 -15.762) 39.737 23.633 ( -0.138 2.682 3.480) 4.395 23.836 ( 2.326 -3.082 1.021) 3.994 24.228 ( -3.557 5.556 -3.198) 7.331 24.407 ( 5.299 -1.028 -0.335) 5.408 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 12.256 16.110 10.366) 22.742 1.727 ( 6.905 14.238 20.992) 26.288 2.184 ( 4.964 2.254 5.379) 7.658 2.215 ( 5.660 14.704 1.723) 15.850 2.616 ( 6.618 -11.905 -2.458) 13.841 2.745 ( 6.737 1.494 8.735) 11.132 2.838 ( 2.450 0.510 -4.529) 5.174 2.936 ( 5.652 -4.022 -0.439) 6.951 3.107 ( -3.559 5.631 -0.937) 6.727 3.217 ( 6.548 2.968 3.499) 7.996 3.437 ( 4.962 -3.063 0.186) 5.834 3.491 ( -0.426 -0.042 -2.230) 2.271 3.559 ( 0.481 -5.439 -3.433) 6.450 3.639 ( 0.809 4.208 0.167) 4.288 4.049 ( 0.651 -0.279 -2.689) 2.781 4.161 ( -2.344 2.095 3.897) 5.007 4.274 ( 6.240 4.621 -3.735) 8.616 4.451 ( 2.014 2.915 -1.705) 3.932 4.544 ( -2.272 2.248 -3.838) 4.995 4.734 ( 9.669 2.642 2.025) 10.225 4.823 ( -4.201 -3.438 -3.738) 6.591 4.879 ( 5.412 0.941 0.301) 5.502 5.561 ( -3.388 -3.118 4.827) 6.671 5.569 ( 2.531 -2.140 -2.271) 4.018 5.673 ( 7.540 0.361 -1.043) 7.620 5.787 ( 3.769 -5.825 -1.398) 7.077 6.065 ( -3.056 -1.036 -4.062) 5.187 6.249 ( -0.464 2.655 0.835) 2.822 6.376 ( -7.250 -4.709 -1.527) 8.779 6.592 ( 2.293 3.317 -4.978) 6.406 6.809 ( -2.613 -3.351 0.515) 4.280 6.936 ( 4.957 -0.834 2.330) 5.540 7.040 ( 2.703 -0.428 -2.628) 3.794 7.402 ( 6.367 -10.913 -1.178) 12.689 7.547 ( 4.224 1.247 -1.446) 4.636 7.722 ( 2.698 -2.295 0.794) 3.630 8.262 ( -1.624 2.437 -4.014) 4.969 8.395 ( -1.827 5.042 -1.727) 5.634 8.580 ( 3.314 -1.828 -1.718) 4.156 8.809 ( 1.276 -2.779 -1.792) 3.544 9.354 ( 1.042 6.633 4.828) 8.270 9.526 ( 0.168 4.906 4.630) 6.748 10.095 ( 5.059 2.033 0.853) 5.519 10.306 ( -3.765 12.153 -4.099) 13.367 10.400 ( 2.191 3.187 -6.322) 7.411 10.652 ( 2.059 3.571 -3.725) 5.556 10.755 ( -3.696 0.064 2.745) 4.604 10.992 ( -2.841 -2.380 -2.527) 4.486 11.843 ( -3.015 3.782 4.603) 6.677 12.156 ( -3.259 0.264 12.740) 13.153 12.344 ( -1.313 -9.836 2.923) 10.344 12.461 ( 3.323 -4.141 0.337) 5.320 13.023 ( -7.454 -0.212 0.751) 7.495 13.042 ( 0.833 -3.591 3.089) 4.809 13.337 ( -5.160 6.090 2.685) 8.422 13.649 ( -7.476 -1.510 0.485) 7.643 13.871 ( -4.691 0.626 0.129) 4.735 14.256 ( 9.204 -9.831 -0.389) 13.472 14.489 ( 4.648 3.330 0.347) 5.728 15.001 ( 8.580 -9.609 -5.017) 13.825 19.013 ( -5.702 8.087 -0.349) 9.901 19.228 ( -10.596 8.861 -2.902) 14.115 19.715 ( -11.948 -1.092 6.127) 13.472 20.087 ( -7.355 -2.676 0.403) 7.837 21.464 ( -3.048 6.014 3.461) 7.579 21.914 ( 5.914 -0.515 -3.723) 7.007 22.112 ( 9.845 -0.428 -0.423) 9.864 22.765 ( 27.471 -14.337 -16.247) 34.988 23.647 ( 0.251 2.490 2.609) 3.615 23.896 ( 3.481 -5.394 0.763) 6.465 24.176 ( -1.095 8.827 -2.985) 9.382 24.521 ( 6.271 -1.327 -1.195) 6.520 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -1.112 15.983 10.992) 19.429 1.904 ( 4.929 9.058 20.836) 23.248 2.179 ( -6.056 15.196 4.162) 16.879 2.298 ( 8.516 0.204 -0.996) 8.576 2.705 ( 3.010 -8.290 -3.270) 9.406 2.780 ( -3.736 -1.088 2.410) 4.577 2.914 ( 2.673 -0.557 3.814) 4.690 3.040 ( 3.473 -3.526 1.574) 5.193 3.095 ( 3.438 1.881 -3.553) 5.290 3.407 ( 6.007 -0.432 -4.683) 7.629 3.444 ( 2.130 -1.577 2.543) 3.673 3.565 ( 2.043 0.149 -1.758) 2.699 3.598 ( 3.992 -2.148 0.224) 4.538 3.662 ( 4.331 4.416 0.391) 6.198 4.049 ( 0.802 -0.831 2.230) 2.511 4.149 ( -1.244 -2.978 2.547) 4.111 4.369 ( 2.576 8.528 -3.674) 9.637 4.460 ( -0.688 5.780 -3.641) 6.865 4.540 ( 4.014 6.809 -0.363) 7.913 4.765 ( 0.495 -3.942 -2.892) 4.914 4.882 ( 3.762 -2.434 -3.601) 5.748 5.019 ( 7.640 1.503 0.805) 7.828 5.494 ( -2.668 -0.504 3.210) 4.204 5.633 ( 1.978 -2.349 1.053) 3.246 5.804 ( 4.243 -0.728 -4.404) 6.158 5.834 ( 3.086 -3.112 0.531) 4.415 6.042 ( 1.765 -2.302 -2.398) 3.764 6.222 ( -1.321 -2.173 -2.177) 3.348 6.248 ( -5.098 -3.157 -0.034) 5.996 6.563 ( -4.306 -1.203 -1.913) 4.863 6.750 ( -1.835 2.704 -2.372) 4.038 6.943 ( -3.419 1.968 -0.238) 3.952 7.115 ( 5.116 -1.479 -0.721) 5.374 7.463 ( -0.237 -11.393 0.677) 11.416 7.586 ( 1.565 2.056 -3.974) 4.740 7.791 ( 2.996 -0.804 0.843) 3.215 8.229 ( -0.376 1.370 -2.737) 3.083 8.356 ( -1.416 4.327 -1.143) 4.694 8.625 ( 1.582 -0.999 0.897) 2.075 8.823 ( 0.478 -2.605 -1.771) 3.187 9.397 ( 1.788 7.398 4.113) 8.651 9.551 ( 0.392 3.580 5.597) 6.656 10.175 ( 0.433 4.149 0.120) 4.173 10.266 ( 2.629 1.023 -0.363) 2.844 10.433 ( 2.529 4.310 -6.004) 7.812 10.676 ( 0.201 3.700 -3.916) 5.391 10.689 ( -1.597 4.172 1.671) 4.770 10.941 ( -1.520 2.440 -3.396) 4.449 11.800 ( -2.738 4.088 3.488) 6.031 12.122 ( -3.519 2.960 9.563) 10.611 12.316 ( -1.619 -9.596 -0.337) 9.737 12.543 ( 3.401 -5.884 1.949) 7.070 12.893 ( -4.426 1.559 -0.480) 4.717 13.043 ( -1.615 -4.719 2.090) 5.408 13.291 ( -0.804 6.290 3.512) 7.249 13.533 ( -5.085 -0.097 0.774) 5.145 13.798 ( -2.463 1.663 0.664) 3.045 14.398 ( 5.533 -8.917 -0.861) 10.529 14.544 ( 1.004 0.641 0.350) 1.242 15.104 ( 3.934 -7.908 -4.761) 10.034 18.872 ( -7.312 9.807 1.630) 12.341 19.115 ( -0.713 5.965 -4.021) 7.228 19.561 ( -7.237 -5.903 7.066) 11.711 19.975 ( -3.754 -8.410 -0.749) 9.240 21.436 ( -1.470 8.326 2.884) 8.933 22.026 ( 6.279 0.416 -3.819) 7.361 22.240 ( 3.203 1.748 0.423) 3.674 23.143 ( 16.671 -14.238 -11.418) 24.719 23.645 ( -1.402 2.009 2.373) 3.411 23.955 ( 1.950 -7.409 -1.897) 7.893 24.173 ( 1.615 10.084 0.643) 10.233 24.623 ( 4.577 -1.762 -2.269) 5.404 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -7.304 13.652 10.056) 18.462 1.892 ( -9.231 10.686 8.503) 16.483 2.190 ( 4.422 13.745 12.678) 19.215 2.494 ( 8.701 2.988 -2.250) 9.471 2.652 ( -6.646 2.114 3.587) 7.842 2.764 ( 3.284 -4.201 -1.103) 5.445 2.947 ( 0.211 -4.030 4.128) 5.773 3.080 ( 0.093 -7.235 4.098) 8.315 3.140 ( 0.829 -4.795 -2.882) 5.655 3.396 ( -0.535 -5.151 -7.425) 9.053 3.495 ( -0.210 2.490 0.968) 2.680 3.582 ( -0.546 1.338 -1.540) 2.112 3.630 ( -1.532 1.476 1.876) 2.836 3.781 ( 5.299 2.381 0.005) 5.809 4.039 ( -5.080 -0.815 5.221) 7.330 4.147 ( 2.194 -3.024 1.445) 4.005 4.374 ( 0.294 8.615 -3.466) 9.291 4.459 ( 0.788 6.074 -3.367) 6.990 4.589 ( 0.509 8.955 -0.245) 8.972 4.785 ( 0.980 -3.790 -2.087) 4.437 4.892 ( -1.318 -3.597 -4.664) 6.035 5.088 ( -1.200 -0.111 -2.233) 2.537 5.458 ( -2.651 1.111 2.569) 3.855 5.629 ( -2.281 -0.051 -1.525) 2.744 5.790 ( -1.178 -2.737 -3.011) 4.237 5.940 ( 4.696 -1.530 1.043) 5.048 6.067 ( 0.585 -3.633 -2.565) 4.486 6.192 ( -2.079 2.151 1.174) 3.214 6.242 ( 5.350 -6.374 -0.097) 8.322 6.490 ( -0.939 -4.130 -0.584) 4.276 6.723 ( 0.219 4.870 -5.324) 7.219 6.872 ( -2.963 2.899 -1.667) 4.467 7.195 ( 3.097 -1.332 0.761) 3.456 7.433 ( -2.254 -9.795 1.775) 10.207 7.583 ( -0.351 0.894 -6.437) 6.508 7.813 ( -1.249 -2.326 0.390) 2.669 8.236 ( 1.943 1.485 -2.250) 3.322 8.347 ( 0.703 5.341 0.550) 5.415 8.652 ( 0.848 -1.661 2.030) 2.756 8.812 ( -0.938 -2.126 -1.964) 3.042 9.439 ( 1.168 7.860 3.831) 8.822 9.560 ( -1.432 2.524 6.317) 6.952 10.151 ( -1.040 5.283 -1.640) 5.629 10.309 ( -1.752 -3.835 0.801) 4.292 10.474 ( 4.789 1.294 -2.768) 5.680 10.645 ( -0.589 1.177 -1.838) 2.261 10.715 ( 1.562 11.540 -1.891) 11.798 10.930 ( 2.370 5.045 -2.981) 6.321 11.760 ( -2.340 4.050 2.786) 5.444 12.084 ( -3.056 3.337 7.509) 8.766 12.285 ( -1.236 -9.118 -1.770) 9.370 12.567 ( -1.095 -6.635 0.595) 6.751 12.878 ( 2.015 1.854 2.207) 3.517 13.011 ( -1.556 -3.817 0.597) 4.165 13.299 ( -0.496 4.631 3.719) 5.960 13.464 ( -1.338 -0.121 -0.414) 1.406 13.792 ( 1.275 2.607 2.327) 3.720 14.460 ( 1.473 -4.778 -2.375) 5.536 14.534 ( -2.143 -2.635 0.886) 3.510 15.133 ( 0.695 -6.948 -4.662) 8.396 18.795 ( -0.764 9.793 1.551) 9.945 19.135 ( 3.534 4.645 -3.771) 6.949 19.470 ( -4.221 -6.500 6.572) 10.162 19.947 ( 0.840 -11.118 -0.337) 11.155 21.412 ( -1.901 8.950 1.620) 9.292 22.105 ( 1.920 -3.602 -2.144) 4.611 22.241 ( -2.198 7.898 -1.512) 8.337 23.339 ( 6.021 -14.985 -6.961) 17.586 23.616 ( -1.462 3.110 2.108) 4.031 23.943 ( -1.867 -4.178 -3.837) 5.972 24.241 ( 3.904 5.340 4.063) 7.762 24.676 ( 1.682 -2.767 -2.537) 4.113 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -11.809 12.615 11.004) 20.486 1.764 ( -5.641 17.108 5.616) 18.869 2.299 ( 1.015 10.182 11.658) 15.512 2.444 ( -5.868 7.772 -0.674) 9.762 2.674 ( -0.964 -0.708 3.560) 3.756 2.825 ( 1.668 -5.233 2.282) 5.947 2.953 ( -0.842 -5.853 2.235) 6.322 3.067 ( -2.363 -7.329 4.126) 8.736 3.118 ( -1.541 -4.822 -0.209) 5.066 3.349 ( -3.808 -4.823 -5.755) 8.419 3.404 ( -8.341 8.990 2.332) 12.483 3.549 ( -1.364 -0.344 -0.763) 1.601 3.588 ( -1.655 -1.812 -2.154) 3.265 3.849 ( 2.712 1.937 -1.680) 3.732 3.940 ( -5.701 1.415 6.589) 8.827 4.189 ( 0.724 1.421 1.284) 2.048 4.357 ( -2.058 6.751 -7.803) 10.521 4.450 ( -0.364 2.773 -0.501) 2.841 4.585 ( 0.325 9.430 1.448) 9.546 4.732 ( -6.347 -3.004 -7.028) 9.935 4.847 ( -0.111 -6.325 -2.499) 6.801 4.964 ( -9.390 -1.020 -1.111) 9.510 5.411 ( -2.266 1.509 0.280) 2.737 5.560 ( -3.794 0.669 -3.525) 5.222 5.785 ( 1.313 -1.366 0.524) 1.966 5.968 ( -1.279 -4.043 0.947) 4.345 6.083 ( 1.693 -0.797 -3.821) 4.255 6.191 ( 1.748 2.935 3.763) 5.082 6.349 ( 2.888 -5.510 0.933) 6.291 6.509 ( 2.787 -4.509 -4.673) 7.066 6.736 ( 2.016 1.352 -2.406) 3.418 6.830 ( -0.278 3.593 -4.299) 5.609 7.233 ( -0.059 -1.341 2.500) 2.837 7.403 ( -1.497 -10.937 0.444) 11.048 7.541 ( -1.421 0.371 -6.896) 7.051 7.743 ( -5.855 -4.715 0.033) 7.518 8.280 ( 2.760 4.188 -2.686) 5.689 8.384 ( 2.739 5.482 1.452) 6.297 8.670 ( 0.368 -1.140 2.208) 2.511 8.782 ( -1.280 -2.116 -2.821) 3.751 9.462 ( 0.007 7.816 3.493) 8.561 9.537 ( -2.873 1.996 7.129) 7.941 10.130 ( -1.523 1.891 -1.245) 2.728 10.238 ( -2.979 2.302 -1.767) 4.159 10.574 ( 3.761 1.218 -2.992) 4.958 10.647 ( 2.538 -0.341 -0.506) 2.610 10.715 ( -0.378 10.220 0.613) 10.246 11.019 ( 6.470 3.232 -2.675) 7.711 11.727 ( -1.891 3.590 2.940) 5.011 12.051 ( -2.786 3.103 7.530) 8.608 12.257 ( -1.077 -9.787 -2.371) 10.128 12.530 ( -2.504 -6.658 0.909) 7.171 12.928 ( 1.290 0.730 0.934) 1.752 13.004 ( 0.814 -1.529 1.043) 2.022 13.297 ( 0.536 4.328 3.139) 5.373 13.496 ( 4.452 -0.319 -0.601) 4.504 13.851 ( 3.635 2.331 3.392) 5.491 14.442 ( -2.422 -3.795 -3.350) 5.612 14.468 ( -4.976 -1.812 1.084) 5.406 15.101 ( -2.642 -7.243 -4.771) 9.067 18.862 ( 7.547 11.191 0.681) 13.515 19.213 ( 5.020 7.176 -1.808) 8.942 19.449 ( 0.500 -6.471 4.625) 7.970 19.994 ( 3.766 -9.712 0.288) 10.420 21.375 ( -1.836 7.314 -0.018) 7.541 22.038 ( -8.392 -9.637 1.459) 12.862 22.199 ( -0.809 14.628 -6.196) 15.907 23.296 ( -8.392 -14.112 -3.269) 16.741 23.639 ( 2.879 1.675 0.739) 3.411 23.880 ( -3.320 -1.956 -2.798) 4.763 24.315 ( 2.023 1.739 3.639) 4.512 24.675 ( -1.095 -5.095 -1.093) 5.325 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -10.571 15.598 14.762) 23.937 1.661 ( -8.303 19.824 5.905) 22.289 2.262 ( -5.490 5.736 8.330) 11.508 2.361 ( -12.314 13.588 5.639) 19.185 2.462 ( -14.555 1.116 -1.498) 14.675 2.758 ( -9.312 -10.909 3.052) 14.664 2.937 ( -1.230 -6.877 0.438) 7.000 3.064 ( 0.774 -3.478 5.922) 6.911 3.144 ( 4.072 0.074 2.817) 4.952 3.184 ( -8.254 2.468 -0.396) 8.624 3.342 ( -1.976 1.237 -4.409) 4.987 3.479 ( -3.312 0.105 2.302) 4.034 3.581 ( 1.237 -2.166 -1.779) 3.064 3.868 ( -3.318 2.618 5.164) 6.673 3.939 ( 7.535 0.959 -2.846) 8.112 4.166 ( -8.816 7.558 -2.153) 11.810 4.223 ( -0.868 3.085 -5.439) 6.313 4.473 ( -2.165 -0.418 -1.484) 2.658 4.514 ( -9.273 -0.710 -6.035) 11.086 4.644 ( 5.048 5.159 0.819) 7.265 4.805 ( -3.216 -7.420 -3.497) 8.811 4.904 ( 4.070 -1.911 0.059) 4.497 5.381 ( -0.614 2.169 -1.315) 2.610 5.460 ( -5.391 1.229 -4.179) 6.931 5.831 ( 2.100 -1.872 2.606) 3.834 5.941 ( -1.560 -2.576 3.613) 4.703 6.098 ( 0.529 2.790 -4.162) 5.038 6.221 ( -1.553 0.291 2.648) 3.083 6.356 ( 1.092 -3.105 -2.365) 4.053 6.535 ( 1.011 -5.343 -7.876) 9.571 6.757 ( -0.365 -1.327 -0.637) 1.517 6.827 ( 0.457 3.323 -2.866) 4.412 7.191 ( -5.443 -2.887 3.137) 6.914 7.349 ( -4.284 -11.327 -0.761) 12.134 7.516 ( 0.648 -2.739 -6.183) 6.793 7.610 ( -6.693 -3.557 0.153) 7.581 8.308 ( 1.098 5.540 -3.445) 6.615 8.445 ( 2.507 4.163 0.994) 4.961 8.679 ( -0.418 -0.312 0.733) 0.900 8.753 ( -0.364 -2.613 -2.706) 3.779 9.448 ( -2.991 5.380 4.336) 7.529 9.515 ( -0.998 4.283 6.542) 7.883 10.064 ( -4.186 0.753 -0.109) 4.254 10.239 ( 3.423 6.146 -4.973) 8.615 10.578 ( -0.399 6.022 -2.704) 6.614 10.672 ( -0.076 4.461 -3.609) 5.739 10.805 ( 7.517 -2.750 5.487) 9.705 11.103 ( 1.881 -1.202 -3.793) 4.401 11.726 ( 1.299 3.259 7.096) 7.915 12.021 ( -3.251 2.681 9.391) 10.293 12.233 ( -0.526 -10.181 -1.785) 10.350 12.493 ( -1.329 -6.879 1.325) 7.130 12.931 ( -0.169 1.537 -1.363) 2.061 13.013 ( -1.369 -0.691 1.555) 2.184 13.388 ( 8.312 4.809 3.320) 10.160 13.615 ( 7.635 -1.053 -0.652) 7.735 13.934 ( 3.493 1.020 3.254) 4.881 14.328 ( -8.942 -12.026 2.335) 15.167 14.373 ( -4.245 9.850 -4.835) 11.765 14.994 ( -7.137 -7.907 -5.104) 11.812 19.071 ( 11.543 10.598 0.940) 15.699 19.330 ( 10.471 14.607 -1.928) 18.075 19.513 ( 4.196 -6.031 2.950) 7.917 20.081 ( 5.105 -4.199 -0.229) 6.614 21.360 ( 1.158 3.643 -1.636) 4.158 21.852 ( -9.961 -7.341 -0.797) 12.399 22.142 ( -3.754 11.009 -4.927) 12.632 23.024 ( -19.011 -13.581 -3.174) 23.578 23.690 ( 1.320 0.072 2.007) 2.403 23.810 ( -2.860 -1.558 -1.674) 3.662 24.334 ( -0.611 0.607 1.215) 1.489 24.625 ( -4.438 -7.964 1.248) 9.202 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -9.999 17.686 15.474) 25.539 1.463 ( -13.034 20.479 10.532) 26.461 1.952 ( -19.299 22.569 10.250) 31.414 2.146 ( -10.665 9.448 -3.327) 14.631 2.333 ( -3.345 -1.785 8.668) 9.461 2.597 ( -6.224 -11.465 2.666) 13.315 2.843 ( -8.846 -6.872 0.528) 11.214 3.043 ( 1.013 -5.931 -4.497) 7.512 3.200 ( 4.452 4.300 3.966) 7.351 3.219 ( -2.998 -1.746 2.260) 4.141 3.266 ( 1.914 3.048 0.859) 3.700 3.492 ( 2.053 0.927 0.475) 2.302 3.657 ( 6.812 -0.696 1.546) 7.019 3.801 ( -4.444 2.257 1.109) 5.105 3.966 ( -7.119 5.066 -2.604) 9.117 4.085 ( -1.262 -1.029 -2.958) 3.376 4.202 ( 0.750 2.506 -4.945) 5.595 4.309 ( 3.029 5.338 -3.933) 7.290 4.534 ( 2.542 -1.216 -1.371) 3.134 4.727 ( -5.246 -7.278 -2.693) 9.367 4.745 ( 3.735 -0.940 -0.221) 3.858 5.033 ( 8.914 -2.799 -2.925) 9.791 5.339 ( -5.235 3.131 -1.842) 6.372 5.392 ( 2.431 2.716 -2.889) 4.651 5.826 ( -3.972 -5.615 1.981) 7.157 5.934 ( -1.851 1.188 4.146) 4.694 6.080 ( -0.147 3.135 -1.960) 3.700 6.187 ( 0.834 0.188 -2.321) 2.473 6.408 ( 3.766 1.264 -4.201) 5.782 6.494 ( -3.099 -1.954 -3.847) 5.313 6.697 ( -3.471 -2.192 -3.245) 5.233 6.803 ( -3.889 0.770 -0.423) 3.987 7.064 ( -7.111 -4.103 3.074) 8.766 7.262 ( -4.055 -11.589 0.979) 12.317 7.465 ( -3.023 -1.513 -2.724) 4.341 7.574 ( 2.311 -4.688 -3.067) 6.060 8.309 ( 0.266 4.736 -3.355) 5.810 8.471 ( 0.270 3.303 -0.542) 3.358 8.628 ( -4.305 -2.213 -1.931) 5.212 8.764 ( 1.451 -1.744 -1.195) 2.564 9.393 ( -3.821 4.245 5.719) 8.082 9.528 ( -0.012 5.778 4.947) 7.607 10.002 ( -1.928 3.686 0.029) 4.160 10.301 ( 4.448 5.643 -8.371) 11.032 10.564 ( -0.148 5.800 -3.175) 6.614 10.658 ( -0.153 4.795 -4.447) 6.541 10.944 ( 2.486 -5.207 4.753) 7.476 11.052 ( -3.334 -4.356 -3.683) 6.607 11.854 ( 8.059 0.862 14.126) 16.286 11.981 ( -4.065 0.763 12.079) 12.768 12.241 ( 1.880 -8.454 0.937) 8.711 12.487 ( 0.037 -7.231 0.484) 7.247 12.926 ( -0.590 2.541 1.827) 3.185 12.980 ( -0.731 -0.053 0.918) 1.175 13.608 ( 12.262 2.972 3.682) 13.144 13.736 ( 3.328 -1.209 -2.845) 4.542 13.993 ( 1.634 -0.416 2.629) 3.123 14.147 ( -9.692 -5.482 2.018) 11.316 14.298 ( -0.448 8.113 -4.177) 9.136 14.801 ( -10.574 -7.182 -5.425) 13.886 19.182 ( 0.420 8.250 3.038) 8.802 19.582 ( 1.280 -4.354 2.806) 5.335 19.722 ( 28.751 18.036 -10.027) 35.390 20.202 ( 9.085 2.712 -0.855) 9.520 21.427 ( 6.519 -0.128 -2.653) 7.039 21.688 ( -5.343 -5.481 -3.787) 8.539 22.028 ( -6.576 5.922 -2.242) 9.129 22.527 ( -32.046 -11.036 -2.505) 33.985 23.683 ( -2.711 0.279 3.914) 4.769 23.781 ( 0.368 -1.654 -0.907) 1.922 24.317 ( -0.600 0.085 -0.442) 0.750 24.505 ( -8.225 -6.635 1.325) 10.650 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.586 20.360 5.905) 21.208 1.819 ( -0.966 19.358 14.887) 24.439 1.969 ( -1.537 -12.396 7.047) 14.341 2.163 ( -2.111 -6.394 4.341) 8.012 2.233 ( -0.583 6.968 -0.883) 7.048 2.447 ( 1.784 -5.995 3.383) 7.111 2.636 ( 0.984 6.654 3.620) 7.639 2.873 ( 0.977 -10.533 -0.717) 10.602 3.219 ( -4.057 5.216 2.685) 7.133 3.278 ( -1.132 -0.566 1.229) 1.765 3.428 ( 2.918 6.067 2.924) 7.340 3.547 ( -2.523 -0.467 0.623) 2.640 3.691 ( -6.170 1.987 -1.743) 6.713 3.750 ( -5.592 -4.202 -2.920) 7.580 3.943 ( 2.402 2.925 -0.940) 3.900 3.991 ( 5.706 -1.327 1.399) 6.023 4.342 ( 1.903 1.163 -2.799) 3.579 4.430 ( 0.847 -5.793 -3.407) 6.774 4.506 ( 4.104 -1.897 -2.387) 5.112 4.519 ( 5.113 -1.717 -0.887) 5.466 4.800 ( -1.496 8.904 -3.650) 9.739 5.002 ( -0.814 -7.962 -6.069) 10.045 5.392 ( 2.794 4.367 -0.924) 5.266 5.470 ( 4.228 -2.462 -3.989) 6.312 5.668 ( -7.251 2.432 1.646) 7.823 5.767 ( -8.713 -4.847 -0.399) 9.978 6.247 ( 5.432 5.387 1.373) 7.772 6.330 ( 4.773 -2.284 2.595) 5.893 6.448 ( -2.328 8.350 -5.033) 10.024 6.579 ( 6.349 2.090 -1.256) 6.801 6.613 ( -4.266 -5.512 -2.289) 7.336 6.634 ( 4.280 -3.886 -1.407) 5.949 6.949 ( -1.947 1.900 1.354) 3.039 7.041 ( -0.193 -6.550 1.626) 6.752 7.443 ( 1.610 1.419 -3.270) 3.911 7.506 ( 2.776 -4.594 -2.221) 5.809 8.389 ( -1.156 4.271 -4.070) 6.012 8.472 ( -2.152 -3.467 -4.206) 5.861 8.560 ( -0.612 5.398 1.631) 5.672 8.686 ( 0.375 -6.032 0.041) 6.043 9.464 ( -1.828 5.689 6.186) 8.601 9.563 ( -1.399 -2.822 5.472) 6.314 10.180 ( 0.587 11.200 -1.044) 11.264 10.369 ( 1.790 -4.733 -6.055) 7.891 10.653 ( 0.386 3.938 -3.906) 5.560 10.695 ( -0.213 0.625 -5.248) 5.290 10.833 ( -3.983 2.080 4.421) 6.304 10.936 ( -0.099 -6.496 2.308) 6.895 11.972 ( -0.245 2.344 12.531) 12.751 12.039 ( -0.193 -0.809 6.192) 6.247 12.192 ( 3.252 0.779 3.296) 4.695 12.318 ( 0.449 -8.012 -0.448) 8.037 12.962 ( 0.485 2.122 2.570) 3.368 13.005 ( 1.976 -1.688 2.782) 3.807 13.716 ( -4.645 2.920 -2.347) 5.968 13.781 ( 0.348 -2.896 0.353) 2.938 13.995 ( -1.244 0.660 1.703) 2.210 14.015 ( -0.468 -0.978 1.886) 2.176 14.427 ( 1.862 4.496 -3.270) 5.863 14.530 ( 1.014 -5.262 -4.407) 6.938 19.337 ( -2.827 7.536 2.926) 8.564 19.472 ( -2.869 -5.367 3.974) 7.268 20.294 ( 5.232 7.885 -7.939) 12.352 20.411 ( 4.174 -3.515 -4.737) 7.226 21.585 ( 12.327 1.860 -7.114) 14.354 21.645 ( 13.522 -3.552 -7.525) 15.877 21.893 ( -16.902 0.900 2.345) 17.087 21.909 ( -13.195 -0.605 2.726) 13.487 23.692 ( -0.661 2.782 2.907) 4.078 23.751 ( 0.438 -2.636 1.664) 3.148 24.323 ( 0.207 0.397 -0.821) 0.936 24.337 ( -1.680 -0.875 -0.412) 1.938 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 10.677 16.923 5.239) 20.684 1.890 ( 2.774 15.746 15.853) 22.516 2.047 ( 6.702 -8.699 7.419) 13.253 2.214 ( 4.833 -12.366 3.786) 13.806 2.346 ( 11.608 12.870 -1.475) 17.395 2.577 ( 9.658 -6.848 4.217) 12.568 2.738 ( 6.979 6.261 3.456) 9.993 2.877 ( -1.198 -3.054 -0.140) 3.283 3.160 ( -1.650 4.118 1.993) 4.863 3.264 ( 1.225 -3.196 1.082) 3.590 3.406 ( -7.699 1.341 -0.977) 7.876 3.469 ( -5.391 -3.402 -0.051) 6.375 3.570 ( -1.238 5.006 -0.632) 5.195 3.677 ( 0.352 -2.155 -2.467) 3.294 4.051 ( 5.976 3.744 -2.171) 7.379 4.144 ( 7.272 -3.598 -0.744) 8.148 4.272 ( -5.596 1.297 -1.385) 5.909 4.357 ( -1.620 -4.429 -2.158) 5.186 4.624 ( 4.844 2.051 1.233) 5.402 4.688 ( 7.316 0.505 -0.935) 7.393 4.766 ( 1.012 4.944 -2.449) 5.609 4.916 ( -4.217 -4.841 -4.950) 8.107 5.474 ( 3.634 3.566 -0.182) 5.095 5.557 ( 5.616 -1.280 -6.332) 8.560 5.595 ( 1.097 -2.696 1.424) 3.240 5.617 ( -5.914 -3.249 -0.770) 6.792 6.222 ( -8.421 3.293 -1.971) 9.255 6.282 ( -3.624 -0.922 0.478) 3.770 6.491 ( -1.548 2.901 -0.976) 3.430 6.560 ( 5.338 -0.768 -2.305) 5.865 6.724 ( 5.059 -0.143 0.847) 5.131 6.768 ( 7.246 -2.960 1.497) 7.969 6.982 ( 4.928 2.894 -0.606) 5.747 7.089 ( 4.467 -7.341 0.934) 8.644 7.498 ( 5.006 2.749 -2.238) 6.134 7.576 ( 4.484 -4.588 -0.620) 6.445 8.363 ( -0.394 3.632 -4.975) 6.172 8.441 ( 0.215 -3.618 -5.832) 6.866 8.563 ( 0.708 6.044 1.496) 6.267 8.694 ( 0.657 -6.057 0.113) 6.094 9.464 ( -0.099 5.982 5.712) 8.272 9.561 ( -0.493 -2.345 4.977) 5.524 10.176 ( -0.424 9.659 -0.318) 9.673 10.364 ( -0.627 -6.489 -4.421) 7.877 10.633 ( -1.989 7.643 -4.956) 9.324 10.694 ( 2.560 2.673 -4.762) 6.031 10.792 ( -1.702 1.926 3.913) 4.682 10.920 ( -1.465 -7.537 0.305) 7.684 11.969 ( -2.421 4.257 7.360) 8.840 12.065 ( 0.169 -4.211 7.454) 8.563 12.244 ( 0.479 -0.050 6.546) 6.564 12.323 ( 0.411 -5.859 0.957) 5.951 12.997 ( 1.496 1.907 2.549) 3.517 13.051 ( 0.567 -2.770 3.363) 4.393 13.577 ( -7.476 5.296 -0.857) 9.202 13.695 ( -6.790 -5.767 -0.555) 8.926 13.969 ( -2.562 1.381 0.887) 3.042 14.010 ( 0.108 -2.504 0.152) 2.511 14.508 ( 6.904 6.235 -2.332) 9.590 14.644 ( 9.694 -6.833 -4.115) 12.554 19.268 ( -4.648 7.453 0.912) 8.831 19.400 ( -5.340 -4.794 1.585) 7.349 20.174 ( -16.593 5.856 -3.663) 17.973 20.251 ( -13.939 -1.764 -0.422) 14.057 21.654 ( -5.565 5.346 4.643) 9.006 21.773 ( -1.718 -5.431 3.921) 6.916 21.907 ( 18.916 4.349 -10.319) 21.982 22.029 ( 25.675 -6.884 -12.207) 29.251 23.699 ( 0.322 3.400 2.795) 4.413 23.770 ( 0.923 -3.243 2.041) 3.942 24.314 ( 0.497 3.124 -1.423) 3.468 24.371 ( 3.797 -2.291 -0.659) 4.483 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 7.896 10.826 11.727) 17.806 2.004 ( 4.468 9.432 11.522) 15.546 2.205 ( 6.009 -0.021 8.082) 10.071 2.350 ( 8.691 -11.803 -0.514) 14.667 2.548 ( 5.071 13.011 -0.418) 13.971 2.727 ( 1.586 -4.082 2.533) 5.060 2.854 ( 4.536 1.947 2.287) 5.441 2.896 ( 5.470 -0.405 1.497) 5.686 3.160 ( -2.091 3.340 2.684) 4.768 3.304 ( -3.041 -8.347 1.053) 8.946 3.325 ( 4.200 3.509 -2.761) 6.130 3.411 ( 6.701 -3.878 -3.690) 8.576 3.600 ( 2.365 5.938 0.975) 6.465 3.697 ( 1.427 -0.871 0.193) 1.683 4.045 ( -3.297 1.412 -2.065) 4.139 4.129 ( -5.453 -5.070 -1.420) 7.580 4.345 ( 11.054 4.457 -1.640) 12.031 4.438 ( 8.430 -3.439 -3.049) 9.602 4.629 ( -0.807 5.515 -4.573) 7.210 4.740 ( -1.519 -4.419 -3.875) 6.070 4.838 ( 5.034 5.602 3.422) 8.273 4.912 ( 4.242 -0.272 1.944) 4.675 5.508 ( 0.331 -0.906 2.150) 2.357 5.527 ( -1.270 -1.845 -1.418) 2.651 5.674 ( 7.274 -0.135 -3.161) 7.932 5.692 ( 6.160 -2.594 -2.033) 6.986 6.073 ( -5.599 2.371 -4.051) 7.307 6.169 ( -5.937 -6.229 -3.755) 9.389 6.444 ( -4.154 7.248 2.221) 8.644 6.586 ( -2.829 -4.930 -0.138) 5.685 6.803 ( 3.195 3.479 0.174) 4.727 6.890 ( 5.056 -3.582 0.569) 6.222 7.071 ( 3.559 3.374 -0.921) 4.989 7.190 ( 4.916 -8.077 0.111) 9.456 7.597 ( 4.715 2.952 -1.066) 5.664 7.664 ( 4.666 -3.171 0.410) 5.657 8.331 ( -1.475 4.102 -4.737) 6.438 8.416 ( -1.228 -3.081 -5.793) 6.675 8.604 ( 2.609 4.507 1.557) 5.436 8.716 ( 1.480 -5.424 -0.003) 5.622 9.494 ( 1.465 5.995 5.349) 8.167 9.577 ( 0.605 -1.042 4.905) 5.051 10.175 ( 0.425 6.108 0.904) 6.189 10.321 ( -2.926 -6.271 -1.023) 6.995 10.574 ( -1.871 9.440 -4.516) 10.630 10.713 ( -1.606 -2.930 -2.273) 4.041 10.793 ( 2.710 6.415 -0.743) 7.004 10.919 ( 2.194 -4.704 -3.135) 6.063 11.939 ( -2.309 5.435 4.061) 7.167 12.077 ( -0.933 -7.286 4.615) 8.675 12.260 ( -0.569 2.251 6.840) 7.224 12.353 ( 1.903 -5.504 3.300) 6.694 13.002 ( -2.348 0.197 0.519) 2.413 13.019 ( -3.407 -0.910 0.905) 3.641 13.466 ( -4.280 5.956 2.713) 7.820 13.580 ( -5.058 -4.630 1.710) 7.068 13.913 ( -2.757 3.687 0.218) 4.608 14.038 ( 2.677 -8.424 0.167) 8.840 14.633 ( 6.063 8.126 -2.563) 10.457 14.810 ( 8.129 -8.660 -4.236) 12.611 19.173 ( -5.354 6.944 -0.181) 8.770 19.286 ( -6.337 -2.817 -0.892) 6.992 19.796 ( -18.331 7.846 2.625) 20.112 19.972 ( -14.324 -7.697 0.080) 16.261 21.624 ( -0.008 8.675 4.640) 9.838 21.807 ( 3.099 -8.083 4.073) 9.567 22.227 ( 16.553 9.805 -10.274) 21.811 22.475 ( 23.032 -13.126 -13.071) 29.557 23.713 ( 0.087 3.662 2.592) 4.487 23.797 ( 1.107 -4.223 2.207) 4.892 24.337 ( 2.128 6.631 -1.427) 7.108 24.456 ( 4.924 -4.556 -0.933) 6.773 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.407 5.477 12.863) 13.987 2.071 ( -2.007 5.885 14.542) 15.815 2.356 ( 8.767 5.205 -2.130) 10.416 2.509 ( 7.970 -6.941 -2.666) 10.900 2.536 ( -1.773 13.447 3.521) 14.013 2.739 ( -0.010 -4.131 2.207) 4.683 2.924 ( -0.918 1.377 5.900) 6.128 2.971 ( -0.112 -2.875 3.875) 4.826 3.110 ( -1.625 1.942 -0.732) 2.636 3.245 ( -1.803 -10.062 -0.584) 10.239 3.475 ( 7.250 2.496 -4.106) 8.698 3.527 ( 4.843 -2.197 -6.586) 8.465 3.687 ( 5.333 5.413 4.397) 8.779 3.735 ( 2.584 1.432 1.968) 3.550 4.013 ( 0.859 -1.587 0.418) 1.852 4.044 ( -3.008 -4.808 -0.424) 5.688 4.503 ( 4.773 4.863 -3.752) 7.779 4.561 ( 3.106 0.585 -5.243) 6.122 4.649 ( 5.223 4.382 -3.439) 7.636 4.718 ( 1.622 -2.051 -3.929) 4.719 4.914 ( 2.102 5.415 1.574) 6.018 5.018 ( 4.305 -2.611 2.736) 5.730 5.500 ( 0.051 1.588 1.895) 2.473 5.566 ( 2.530 -3.856 0.973) 4.714 5.769 ( 2.466 -0.148 -3.825) 4.553 5.798 ( 5.752 -1.825 -1.914) 6.331 6.003 ( -0.053 0.142 -3.826) 3.829 6.072 ( -1.974 -6.088 -3.228) 7.168 6.349 ( -5.702 6.416 2.457) 8.928 6.480 ( -7.061 -5.612 1.451) 9.135 6.844 ( 1.221 5.201 -2.545) 5.918 6.938 ( -0.232 -2.937 -1.781) 3.443 7.125 ( 2.810 3.294 0.060) 4.330 7.250 ( 1.137 -8.271 0.468) 8.362 7.653 ( 1.451 4.001 -1.622) 4.554 7.740 ( 2.416 -3.809 -0.366) 4.525 8.293 ( -0.589 4.410 -2.788) 5.251 8.378 ( -0.440 -2.552 -3.308) 4.201 8.645 ( 0.871 3.449 1.651) 3.921 8.740 ( 0.771 -4.789 -0.457) 4.872 9.545 ( 1.800 5.722 5.347) 8.036 9.606 ( 0.460 0.328 5.462) 5.491 10.196 ( 0.957 1.354 1.873) 2.502 10.256 ( -3.339 -3.220 0.582) 4.675 10.545 ( 0.000 6.379 -3.787) 7.418 10.655 ( -2.343 -3.424 -1.733) 4.496 10.868 ( 4.710 7.753 -3.608) 9.763 10.963 ( 2.857 -1.164 -4.220) 5.227 11.907 ( -2.004 6.164 1.954) 6.770 12.061 ( -1.606 -8.058 1.800) 8.412 12.266 ( -0.920 4.771 5.393) 7.259 12.399 ( 1.277 -7.151 3.391) 8.016 12.929 ( -2.885 1.880 -0.382) 3.465 12.973 ( -2.068 -2.370 0.577) 3.197 13.414 ( -2.492 5.114 3.291) 6.572 13.499 ( -4.212 -2.908 1.928) 5.469 13.883 ( -0.483 6.904 1.520) 7.085 14.099 ( 2.859 -13.432 1.956) 13.871 14.711 ( 2.920 9.745 -3.370) 10.716 14.917 ( 4.274 -9.552 -4.458) 11.374 19.064 ( -5.451 7.917 0.085) 9.612 19.181 ( -3.162 -1.854 -2.783) 4.602 19.544 ( -9.280 5.894 4.984) 12.070 19.752 ( -7.996 -11.662 0.891) 14.168 21.645 ( 0.214 11.007 3.717) 11.620 21.878 ( 2.279 -10.536 3.507) 11.336 22.457 ( 10.238 14.979 -8.988) 20.247 22.803 ( 14.708 -17.090 -10.985) 25.081 23.715 ( -0.680 4.395 2.596) 5.150 23.820 ( 0.567 -5.524 1.985) 5.897 24.378 ( 2.205 8.869 -0.770) 9.172 24.537 ( 3.522 -6.068 -1.294) 7.135 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -7.345 7.757 9.455) 14.266 2.056 ( -4.895 2.860 10.321) 11.776 2.467 ( 3.636 9.938 0.969) 10.627 2.592 ( 5.025 1.431 1.228) 5.367 2.665 ( 8.173 1.962 -0.870) 8.450 2.735 ( -2.507 2.228 5.075) 6.084 2.869 ( -3.957 -2.942 6.230) 7.945 2.928 ( -5.140 -6.602 5.260) 9.883 3.084 ( -1.172 1.172 -1.571) 2.284 3.218 ( -1.004 -9.844 -2.136) 10.123 3.534 ( 1.302 2.320 -2.800) 3.862 3.579 ( 2.395 -0.942 -4.893) 5.528 3.739 ( -2.383 4.325 2.765) 5.660 3.794 ( 2.250 -1.219 0.713) 2.657 4.007 ( -0.953 0.456 2.865) 3.054 4.072 ( 3.385 -4.101 1.908) 5.649 4.521 ( -0.107 4.702 -6.949) 8.391 4.555 ( -0.587 1.756 -7.001) 7.241 4.722 ( 1.711 2.812 -1.971) 3.836 4.749 ( 0.867 -0.397 -1.716) 1.964 4.914 ( -2.996 5.854 -0.512) 6.596 5.044 ( -2.753 -4.554 0.474) 5.343 5.496 ( -1.559 3.030 1.036) 3.562 5.583 ( -1.391 -4.213 0.050) 4.437 5.777 ( 0.633 2.379 -3.442) 4.232 5.868 ( 1.761 -5.047 -1.912) 5.677 6.026 ( 3.367 1.125 -2.407) 4.289 6.104 ( 4.678 -5.683 -0.748) 7.399 6.282 ( -1.340 4.857 3.063) 5.896 6.387 ( -2.054 -5.069 2.623) 6.066 6.834 ( -0.874 4.807 -5.207) 7.140 6.897 ( -2.063 -0.809 -3.791) 4.391 7.177 ( 1.945 0.491 1.175) 2.325 7.249 ( -1.044 -6.534 1.142) 6.715 7.642 ( -1.588 4.033 -3.738) 5.724 7.736 ( -2.292 -4.538 -2.111) 5.504 8.313 ( 3.205 4.954 -0.555) 5.927 8.397 ( 2.889 -1.605 -0.924) 3.432 8.650 ( -0.676 2.540 1.842) 3.210 8.736 ( -0.903 -4.574 -0.921) 4.753 9.586 ( 0.563 4.882 5.665) 7.500 9.617 ( -1.242 1.624 6.153) 6.484 10.191 ( -2.139 0.201 0.411) 2.187 10.225 ( 0.006 -3.323 1.567) 3.674 10.548 ( 1.594 4.928 -2.618) 5.804 10.634 ( 0.595 -2.499 -2.333) 3.470 10.928 ( 1.957 7.202 -3.213) 8.125 10.997 ( 2.355 0.516 -3.922) 4.603 11.872 ( -2.123 6.486 0.660) 6.857 12.030 ( -1.888 -7.982 0.185) 8.205 12.252 ( -2.067 5.806 3.835) 7.259 12.407 ( -1.409 -8.043 2.096) 8.430 12.918 ( 1.299 1.800 1.277) 2.561 12.955 ( 0.210 -1.895 0.786) 2.062 13.383 ( -1.593 3.360 2.181) 4.311 13.440 ( -1.606 -2.010 0.558) 2.633 13.902 ( 1.409 8.337 3.613) 9.194 14.146 ( 0.961 -14.497 3.464) 14.936 14.726 ( -0.096 10.798 -4.195) 11.585 14.949 ( 0.563 -10.024 -4.676) 11.076 19.005 ( 0.171 9.403 0.166) 9.406 19.162 ( 2.265 -4.262 -2.931) 5.647 19.450 ( -2.511 6.639 5.317) 8.868 19.679 ( -0.155 -13.096 1.322) 13.164 21.637 ( -2.297 11.835 2.202) 12.256 21.892 ( -2.121 -12.024 2.438) 12.451 22.562 ( 3.366 18.097 -7.441) 19.854 22.964 ( 4.838 -19.362 -8.240) 21.591 23.708 ( -0.656 5.267 2.601) 5.911 23.826 ( -0.614 -5.777 1.668) 6.044 24.409 ( 1.041 8.660 0.122) 8.723 24.574 ( 0.620 -6.609 -1.388) 6.782 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -7.992 10.879 8.790) 16.109 1.990 ( -4.145 1.969 7.524) 8.813 2.496 ( -5.204 8.128 5.636) 11.176 2.625 ( -3.094 3.788 3.327) 5.915 2.668 ( -1.132 1.492 0.849) 2.057 2.741 ( -5.660 1.386 4.758) 7.523 2.852 ( -1.012 -4.325 1.237) 4.611 2.887 ( 2.583 -9.132 2.802) 9.895 3.075 ( 1.626 1.907 0.248) 2.518 3.193 ( -0.390 -8.041 -2.824) 8.531 3.539 ( -0.552 1.756 -0.366) 1.877 3.567 ( -3.069 0.100 -1.488) 3.412 3.649 ( -5.806 8.308 1.706) 10.278 3.808 ( -0.686 -5.609 0.476) 5.671 3.999 ( -0.883 5.166 3.321) 6.204 4.133 ( 2.431 -5.984 1.787) 6.701 4.471 ( -2.902 3.585 -8.985) 10.100 4.497 ( -3.611 1.158 -5.944) 7.050 4.690 ( -5.062 0.785 -5.132) 7.252 4.719 ( -3.081 -1.395 -3.208) 4.662 4.820 ( -3.966 5.675 0.537) 6.944 4.926 ( -7.531 -3.218 1.154) 8.271 5.459 ( -1.838 3.193 -0.377) 3.703 5.535 ( -2.814 -3.118 -1.362) 4.416 5.790 ( 1.441 2.436 -0.417) 2.861 5.873 ( -0.118 -4.635 -0.022) 4.636 6.105 ( 4.863 2.662 -2.866) 6.241 6.192 ( 4.461 -4.709 0.027) 6.487 6.295 ( -0.225 3.216 2.614) 4.151 6.396 ( 1.270 -5.651 -0.286) 5.799 6.799 ( -0.773 3.910 -3.758) 5.478 6.861 ( -0.335 -0.986 -4.689) 4.803 7.188 ( -1.788 -1.253 2.472) 3.298 7.228 ( -1.382 -5.126 0.098) 5.310 7.581 ( -2.989 3.042 -4.896) 6.492 7.656 ( -4.749 -3.825 -2.829) 6.722 8.392 ( 4.419 5.653 -0.716) 7.211 8.463 ( 3.697 0.556 -0.797) 3.823 8.640 ( -0.715 0.152 2.671) 2.770 8.704 ( -2.049 -4.469 -1.312) 5.089 9.590 ( -2.538 3.555 6.394) 7.743 9.606 ( -1.182 2.624 6.403) 7.020 10.153 ( -1.576 2.552 -0.112) 3.002 10.237 ( 1.257 -3.574 -0.415) 3.811 10.593 ( 3.572 2.747 -1.884) 4.884 10.650 ( 1.543 -1.379 -2.058) 2.918 10.916 ( -1.883 7.985 -1.556) 8.351 11.030 ( 1.576 -2.485 -2.807) 4.066 11.834 ( -1.717 6.525 0.601) 6.773 11.997 ( -1.214 -8.357 -0.136) 8.446 12.211 ( -3.190 5.925 3.302) 7.496 12.369 ( -2.739 -8.112 1.780) 8.745 12.956 ( 1.580 1.545 0.414) 2.248 12.983 ( 1.836 -0.955 1.268) 2.427 13.384 ( 1.857 3.920 1.837) 4.710 13.459 ( 3.333 -2.942 0.428) 4.466 13.947 ( 1.791 7.097 4.461) 8.571 14.153 ( -1.421 -12.300 4.119) 13.049 14.683 ( -2.969 10.989 -4.800) 12.353 14.910 ( -3.112 -10.318 -4.844) 11.816 19.083 ( 7.530 9.299 0.447) 11.974 19.249 ( 7.090 -6.063 -1.420) 9.436 19.474 ( 3.732 10.764 3.705) 11.980 19.743 ( 6.236 -13.299 0.742) 14.707 21.572 ( -4.521 10.805 0.316) 11.716 21.811 ( -6.501 -11.476 0.739) 13.211 22.543 ( -3.202 17.748 -5.774) 18.936 22.934 ( -5.759 -18.795 -5.557) 20.428 23.710 ( 0.027 4.427 2.336) 5.006 23.806 ( -1.897 -4.382 1.557) 5.023 24.414 ( -0.781 6.402 0.627) 6.480 24.553 ( -2.348 -6.414 -0.900) 6.890 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -6.453 14.803 10.634) 19.335 1.944 ( -3.655 2.618 7.738) 8.949 2.293 ( -15.177 2.612 8.046) 17.376 2.494 ( -12.621 -12.208 4.351) 18.090 2.579 ( -9.414 8.059 -1.993) 12.552 2.634 ( -5.442 8.801 2.246) 10.588 2.819 ( -2.758 -3.439 -0.407) 4.427 2.922 ( -1.399 -8.625 0.162) 8.739 3.147 ( 4.100 1.781 3.578) 5.726 3.192 ( 1.167 -1.736 -0.245) 2.106 3.486 ( -4.136 5.000 0.328) 6.497 3.506 ( -1.437 2.764 5.148) 6.017 3.588 ( -0.298 5.167 1.523) 5.395 3.795 ( -0.846 -9.437 1.207) 9.552 4.013 ( 2.457 6.960 -0.883) 7.433 4.180 ( 1.670 -6.987 -1.992) 7.455 4.316 ( -9.218 6.143 -4.526) 11.966 4.415 ( -5.151 -3.378 -4.856) 7.843 4.519 ( -6.826 2.486 -7.017) 10.100 4.622 ( -3.542 -6.575 -6.077) 9.629 4.801 ( 0.621 5.439 1.442) 5.661 4.881 ( 2.182 -1.824 0.302) 2.860 5.432 ( -0.596 2.472 -2.026) 3.251 5.471 ( -3.140 -0.717 -2.680) 4.190 5.823 ( 0.843 2.014 2.967) 3.684 5.889 ( 1.499 -3.043 4.198) 5.397 6.160 ( 1.127 2.888 -3.688) 4.817 6.229 ( -3.705 -2.280 -1.416) 4.575 6.302 ( 5.028 2.211 -1.101) 5.602 6.417 ( 2.341 -6.323 -5.609) 8.771 6.771 ( -2.434 2.811 -0.461) 3.747 6.841 ( -1.472 -2.339 -2.064) 3.450 7.126 ( -5.127 -1.012 2.485) 5.787 7.174 ( -4.479 -5.191 0.062) 6.856 7.508 ( -2.790 1.593 -5.322) 6.216 7.556 ( -4.194 -2.463 -3.092) 5.763 8.446 ( 1.392 6.853 -3.772) 7.945 8.517 ( 1.969 1.842 -0.853) 2.828 8.644 ( -1.469 -2.343 2.439) 3.687 8.655 ( -1.102 -4.891 0.029) 5.014 9.546 ( -3.824 4.298 6.871) 8.961 9.599 ( -1.791 0.581 6.398) 6.670 10.139 ( 0.355 6.759 -0.747) 6.809 10.277 ( 3.268 -3.611 -2.657) 5.548 10.654 ( 2.692 1.331 -3.036) 4.271 10.678 ( 2.057 -0.657 -1.454) 2.603 10.874 ( -1.669 6.783 1.403) 7.124 11.019 ( -2.318 -6.176 -1.768) 6.830 11.829 ( 1.104 6.562 3.550) 7.542 11.994 ( 0.757 -8.297 1.927) 8.551 12.159 ( -2.838 6.268 2.535) 7.333 12.326 ( -1.928 -8.513 1.472) 8.852 12.974 ( 0.381 1.986 -0.512) 2.086 13.002 ( -0.480 -0.709 0.751) 1.139 13.483 ( 7.626 4.245 2.532) 9.088 13.565 ( 7.192 -3.392 0.948) 8.008 13.988 ( 0.934 4.338 3.839) 5.868 14.118 ( -3.348 -8.007 3.724) 9.444 14.585 ( -5.431 10.183 -4.960) 12.561 14.799 ( -6.808 -9.998 -4.895) 13.048 19.251 ( 7.616 7.170 2.742) 10.814 19.388 ( 6.011 -5.958 2.797) 8.913 19.650 ( 15.587 14.565 -2.503) 21.479 19.920 ( 12.442 -10.652 -2.017) 16.503 21.486 ( -3.473 7.871 -1.714) 8.772 21.671 ( -7.154 -9.189 -1.499) 11.742 22.405 ( -9.606 13.757 -3.525) 17.145 22.713 ( -15.732 -15.162 -3.140) 22.074 23.717 ( -0.238 2.221 2.349) 3.242 23.768 ( -2.256 -2.346 1.473) 3.572 24.384 ( -2.262 3.885 0.302) 4.505 24.486 ( -4.245 -5.610 -0.035) 7.035 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -6.816 17.703 10.729) 21.793 1.862 ( -7.143 14.530 9.039) 18.543 2.055 ( -9.912 -7.952 8.762) 15.435 2.275 ( -10.055 -14.403 4.593) 18.156 2.362 ( -11.032 10.505 -2.029) 15.369 2.496 ( -7.165 5.299 2.854) 9.358 2.703 ( -7.838 -0.870 0.970) 7.946 2.875 ( -1.086 -9.598 -2.376) 9.948 3.229 ( 2.253 1.963 5.401) 6.172 3.254 ( 3.436 0.358 2.437) 4.228 3.412 ( -2.866 9.420 0.174) 9.848 3.543 ( 1.797 0.538 3.619) 4.076 3.671 ( 7.406 2.215 3.043) 8.308 3.769 ( -1.823 -5.679 1.028) 6.052 4.031 ( -5.040 1.350 -2.403) 5.745 4.064 ( -8.692 0.047 -4.579) 9.824 4.246 ( 2.245 2.751 -4.213) 5.510 4.328 ( 4.785 -3.468 -4.037) 7.156 4.481 ( 0.906 -0.539 -3.107) 3.281 4.559 ( -2.354 -7.157 -4.706) 8.884 4.818 ( 0.446 6.948 -0.911) 7.022 4.959 ( 5.288 -5.184 -3.134) 8.041 5.403 ( -2.289 2.281 -3.234) 4.572 5.430 ( 0.996 0.048 -2.599) 2.784 5.799 ( -5.471 3.462 4.255) 7.747 5.903 ( -4.045 -4.279 4.333) 7.310 6.158 ( 2.143 3.391 -3.490) 5.317 6.195 ( 4.008 0.005 -2.310) 4.626 6.423 ( 7.846 0.855 -3.750) 8.738 6.466 ( 3.887 -1.799 -4.568) 6.262 6.678 ( -6.701 1.749 -0.284) 6.931 6.760 ( -6.763 -4.465 -0.411) 8.115 7.024 ( -5.621 0.499 2.100) 6.021 7.083 ( -4.293 -5.235 1.226) 6.880 7.452 ( -1.228 0.700 -4.310) 4.536 7.495 ( -0.837 -3.038 -3.472) 4.689 8.429 ( -1.324 6.056 -4.186) 7.480 8.526 ( -0.819 -0.828 -3.732) 3.909 8.582 ( -3.165 0.828 2.719) 4.254 8.674 ( 0.833 -5.444 0.984) 5.594 9.495 ( -3.368 5.103 6.652) 9.035 9.579 ( -2.015 -1.785 6.040) 6.612 10.159 ( 1.666 10.310 -1.138) 10.506 10.334 ( 3.474 -3.908 -4.807) 7.102 10.666 ( 0.007 3.405 -4.065) 5.303 10.702 ( 0.798 -0.207 -2.655) 2.780 10.878 ( 0.018 0.260 4.284) 4.291 10.946 ( -3.538 -5.049 -0.352) 6.176 11.899 ( 3.322 4.545 9.709) 11.223 12.026 ( 0.480 -5.094 6.057) 7.929 12.136 ( 0.728 5.174 0.420) 5.242 12.311 ( 0.019 -9.026 0.180) 9.028 12.970 ( -1.117 1.402 1.398) 2.273 12.984 ( -0.484 0.014 0.433) 0.649 13.664 ( 9.259 2.312 2.460) 9.856 13.706 ( 5.781 -1.692 -0.098) 6.025 14.002 ( -0.380 1.488 2.607) 3.026 14.055 ( -3.825 -3.418 2.357) 5.645 14.466 ( -4.515 7.860 -4.402) 10.076 14.634 ( -8.008 -8.146 -4.741) 12.368 19.346 ( 1.154 6.980 4.292) 8.275 19.474 ( 1.490 -5.414 4.933) 7.475 20.029 ( 22.634 10.891 -8.353) 26.470 20.188 ( 15.462 -4.144 -4.595) 16.654 21.462 ( 2.690 3.459 -3.758) 5.773 21.564 ( -1.916 -5.837 -4.154) 7.415 22.165 ( -14.217 7.011 -0.498) 15.860 22.326 ( -23.225 -8.376 -0.293) 24.691 23.707 ( -1.557 1.664 2.885) 3.676 23.745 ( -0.439 -1.813 1.246) 2.243 24.340 ( -1.894 2.035 -0.363) 2.803 24.401 ( -4.276 -3.737 0.193) 5.682 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -8.990 0.000 17.478) 19.655 1.007 ( -1.413 0.000 21.709) 21.755 1.714 ( 7.639 0.000 -5.564) 9.450 1.877 ( -1.251 0.000 40.950) 40.969 2.330 ( 1.372 0.000 -8.528) 8.637 2.775 ( -5.176 0.000 1.889) 5.509 2.879 ( -1.191 0.000 4.919) 5.062 3.134 ( -4.600 0.000 -1.892) 4.974 3.167 ( 2.674 0.000 0.211) 2.682 3.203 ( -0.707 0.000 4.245) 4.303 3.447 ( -7.444 0.000 3.963) 8.434 3.601 ( -9.238 0.000 -2.507) 9.572 3.652 ( 3.592 0.000 -5.008) 6.163 3.716 ( 3.004 0.000 1.116) 3.205 3.814 ( 3.058 0.000 -0.752) 3.149 3.963 ( -6.711 0.000 -0.930) 6.775 4.174 ( 15.288 0.000 2.455) 15.484 4.223 ( -1.699 0.000 -0.394) 1.744 4.265 ( 14.192 0.000 -2.031) 14.337 4.617 ( -0.490 0.000 -7.522) 7.538 4.769 ( -11.272 0.000 2.468) 11.539 5.089 ( -0.792 0.000 -7.002) 7.046 5.326 ( 2.804 0.000 0.166) 2.809 5.431 ( 6.760 0.000 0.178) 6.762 5.854 ( -1.170 0.000 -2.220) 2.510 6.000 ( 5.463 0.000 -2.813) 6.145 6.045 ( -3.045 0.000 3.184) 4.406 6.049 ( -1.400 0.000 -2.014) 2.453 6.351 ( -3.581 0.000 -1.208) 3.779 6.459 ( 2.878 0.000 -3.750) 4.727 6.505 ( -6.213 0.000 3.681) 7.222 6.724 ( 7.956 0.000 -3.186) 8.570 7.231 ( -0.076 0.000 3.037) 3.038 7.443 ( -9.197 0.000 -3.098) 9.705 7.753 ( -0.665 0.000 6.398) 6.433 7.884 ( -0.015 0.000 2.052) 2.052 8.123 ( -0.279 0.000 0.202) 0.345 8.264 ( -0.390 0.000 0.211) 0.443 8.394 ( -0.461 0.000 -4.635) 4.657 8.510 ( 1.479 0.000 -5.570) 5.763 9.352 ( 0.779 0.000 1.150) 1.389 9.456 ( -6.168 0.000 4.800) 7.815 9.655 ( 0.706 0.000 -6.792) 6.829 9.819 ( -0.427 0.000 -4.693) 4.712 10.341 ( 0.291 0.000 1.830) 1.853 10.464 ( 0.963 0.000 -2.661) 2.829 11.024 ( -3.797 0.000 2.198) 4.387 11.156 ( 1.091 0.000 -1.066) 1.525 11.987 ( -2.151 0.000 8.542) 8.808 12.384 ( 0.911 0.000 -3.796) 3.904 12.690 ( -5.192 0.000 1.479) 5.399 12.708 ( 0.128 0.000 2.542) 2.546 13.120 ( 1.007 0.000 6.150) 6.232 13.504 ( -10.203 0.000 -6.432) 12.061 13.891 ( 13.023 0.000 2.786) 13.318 13.971 ( -20.993 0.000 0.096) 20.994 14.012 ( 1.163 0.000 -0.460) 1.251 14.107 ( 14.368 0.000 -1.858) 14.488 14.297 ( -20.778 0.000 1.735) 20.850 14.439 ( 47.790 0.000 -1.540) 47.815 18.778 ( 2.833 0.000 3.339) 4.379 18.919 ( -3.729 0.000 -0.640) 3.784 19.895 ( -8.932 0.000 5.989) 10.754 20.381 ( 26.572 0.000 -7.004) 27.480 21.582 ( -6.635 0.000 1.572) 6.819 21.693 ( -8.380 0.000 -3.035) 8.913 21.767 ( 14.392 0.000 0.155) 14.393 21.924 ( -21.744 0.000 -2.749) 21.917 23.746 ( -0.861 0.000 0.449) 0.971 23.792 ( 1.528 0.000 -1.593) 2.207 24.277 ( -19.892 0.000 2.312) 20.026 24.351 ( 3.439 0.000 -0.463) 3.470 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 8.313 0.000 20.477) 22.100 1.186 ( 34.722 0.000 8.210) 35.680 2.023 ( 3.164 0.000 36.664) 36.801 2.034 ( 24.761 0.000 -3.423) 24.996 2.337 ( 2.296 0.000 -6.807) 7.184 2.785 ( 5.284 0.000 0.496) 5.307 2.933 ( 2.388 0.000 9.583) 9.876 2.972 ( -12.897 0.000 -1.638) 13.001 3.159 ( -4.256 0.000 2.449) 4.910 3.246 ( 4.323 0.000 -5.069) 6.662 3.313 ( -3.800 0.000 6.373) 7.420 3.461 ( -2.142 0.000 1.144) 2.428 3.630 ( -7.377 0.000 -0.773) 7.417 3.702 ( 4.120 0.000 -5.709) 7.041 3.826 ( -4.881 0.000 -0.171) 4.884 3.993 ( 6.247 0.000 -4.133) 7.490 4.237 ( 8.218 0.000 -1.306) 8.321 4.367 ( 2.938 0.000 1.699) 3.394 4.416 ( -5.529 0.000 3.685) 6.644 4.598 ( -0.302 0.000 -5.686) 5.694 4.658 ( 5.635 0.000 -1.480) 5.826 5.030 ( -2.549 0.000 -4.673) 5.323 5.401 ( 5.213 0.000 -1.854) 5.533 5.552 ( 6.421 0.000 -2.581) 6.921 5.857 ( -1.252 0.000 1.332) 1.828 5.995 ( -3.311 0.000 -0.629) 3.370 6.024 ( 0.236 0.000 -0.446) 0.504 6.153 ( 9.618 0.000 -0.283) 9.622 6.270 ( -3.908 0.000 -2.934) 4.887 6.516 ( 2.994 0.000 -4.332) 5.266 6.596 ( 13.999 0.000 -8.827) 16.549 6.860 ( 5.373 0.000 -2.867) 6.090 7.205 ( -2.838 0.000 4.332) 5.179 7.286 ( -5.670 0.000 0.022) 5.670 7.825 ( 5.357 0.000 5.800) 7.896 7.907 ( 0.406 0.000 2.172) 2.209 8.088 ( -2.905 0.000 1.475) 3.258 8.280 ( 1.653 0.000 0.600) 1.758 8.379 ( 1.123 0.000 -4.887) 5.015 8.573 ( 6.409 0.000 -6.681) 9.258 9.363 ( -1.725 0.000 6.760) 6.977 9.420 ( 1.634 0.000 3.061) 3.470 9.687 ( 4.780 0.000 -7.065) 8.530 9.807 ( 0.736 0.000 -4.267) 4.330 10.354 ( 0.597 0.000 1.759) 1.858 10.470 ( 0.586 0.000 -3.459) 3.508 10.937 ( -5.945 0.000 2.984) 6.652 11.134 ( -3.263 0.000 -0.757) 3.350 11.960 ( -3.164 0.000 8.320) 8.902 12.412 ( 3.220 0.000 -3.057) 4.440 12.579 ( -8.295 0.000 7.930) 11.476 12.712 ( -0.501 0.000 1.716) 1.788 13.157 ( 0.124 0.000 7.742) 7.743 13.266 ( -12.437 0.000 -4.039) 13.076 13.585 ( -14.681 0.000 3.148) 15.015 13.860 ( -19.346 0.000 -0.326) 19.349 13.968 ( -4.369 0.000 -0.871) 4.455 14.105 ( 6.103 0.000 0.973) 6.181 14.435 ( 17.451 0.000 -3.160) 17.734 15.122 ( 20.863 0.000 -12.863) 24.509 18.810 ( -1.180 0.000 5.148) 5.282 18.862 ( -1.509 0.000 -2.068) 2.560 19.802 ( -1.358 0.000 1.350) 1.915 20.515 ( -12.470 0.000 3.614) 12.983 21.463 ( -5.732 0.000 1.048) 5.827 21.605 ( 7.522 0.000 -13.052) 15.065 22.057 ( 28.698 0.000 -11.483) 30.910 22.085 ( 16.378 0.000 6.022) 17.450 23.734 ( -0.505 0.000 -0.299) 0.587 23.797 ( -1.595 0.000 1.144) 1.962 24.037 ( -5.355 0.000 7.172) 8.951 24.426 ( 3.826 0.000 1.162) 3.999 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 9.949 0.000 16.706) 19.444 1.826 ( 24.614 0.000 6.680) 25.504 2.175 ( 2.281 0.000 19.949) 20.079 2.378 ( 3.165 0.000 -0.895) 3.289 2.528 ( 24.654 0.000 -0.886) 24.669 2.683 ( -14.749 0.000 0.612) 14.762 2.944 ( 10.457 0.000 -1.143) 10.520 3.001 ( 3.191 0.000 14.382) 14.732 3.040 ( -9.133 0.000 1.073) 9.196 3.249 ( 2.212 0.000 -3.964) 4.539 3.435 ( 8.056 0.000 3.086) 8.626 3.501 ( -3.112 0.000 -0.674) 3.184 3.529 ( 6.442 0.000 2.280) 6.834 3.761 ( -2.505 0.000 -0.277) 2.520 3.805 ( 8.641 0.000 -5.248) 10.110 4.058 ( 4.525 0.000 -4.720) 6.539 4.244 ( -9.452 0.000 4.281) 10.376 4.386 ( 1.239 0.000 -1.921) 2.285 4.389 ( 0.108 0.000 3.749) 3.750 4.629 ( 8.655 0.000 -6.386) 10.756 4.810 ( 7.698 0.000 -3.100) 8.299 4.974 ( -2.194 0.000 -3.295) 3.959 5.509 ( 6.144 0.000 -2.690) 6.707 5.663 ( 5.089 0.000 -1.590) 5.332 5.815 ( -3.194 0.000 7.072) 7.760 5.931 ( -2.480 0.000 -0.880) 2.631 6.032 ( 0.530 0.000 -2.676) 2.728 6.179 ( -3.626 0.000 -6.356) 7.318 6.317 ( 6.478 0.000 1.107) 6.572 6.515 ( -1.628 0.000 -5.315) 5.559 6.768 ( 4.257 0.000 -12.473) 13.180 6.866 ( -3.921 0.000 -3.246) 5.090 7.189 ( 0.321 0.000 4.217) 4.229 7.261 ( 3.459 0.000 -1.661) 3.837 7.891 ( -2.460 0.000 2.039) 3.195 7.923 ( 1.082 0.000 2.099) 2.361 8.069 ( 1.653 0.000 5.674) 5.910 8.313 ( 1.207 0.000 0.791) 1.443 8.425 ( 5.090 0.000 -4.197) 6.598 8.682 ( 6.495 0.000 -8.781) 10.922 9.352 ( -1.726 0.000 9.621) 9.774 9.495 ( 4.424 0.000 2.850) 5.262 9.780 ( 5.320 0.000 -4.734) 7.121 9.833 ( 4.693 0.000 -6.324) 7.875 10.376 ( 1.190 0.000 1.664) 2.046 10.466 ( 0.327 0.000 -4.452) 4.464 10.825 ( -6.347 0.000 2.823) 6.947 11.027 ( -7.566 0.000 -0.620) 7.592 11.923 ( -3.298 0.000 8.906) 9.497 12.428 ( -9.925 0.000 11.815) 15.430 12.480 ( 4.016 0.000 -3.407) 5.266 12.706 ( -0.059 0.000 1.326) 1.328 13.019 ( -11.684 0.000 -2.506) 11.950 13.164 ( -1.234 0.000 6.650) 6.763 13.438 ( -3.206 0.000 2.624) 4.143 13.544 ( -12.101 0.000 -0.991) 12.142 13.868 ( -5.246 0.000 -0.795) 5.306 14.192 ( 2.759 0.000 -1.910) 3.356 14.725 ( 13.174 0.000 -2.465) 13.402 15.266 ( 1.106 0.000 -7.678) 7.757 18.768 ( -4.523 0.000 6.215) 7.687 18.851 ( 1.140 0.000 -3.401) 3.587 19.849 ( 5.689 0.000 -1.825) 5.975 20.253 ( -14.195 0.000 9.721) 17.205 21.370 ( -4.367 0.000 1.306) 4.558 21.652 ( 2.295 0.000 -13.028) 13.229 22.395 ( 12.307 0.000 10.600) 16.242 22.678 ( 34.705 0.000 -23.560) 41.946 23.724 ( -0.282 0.000 -1.271) 1.301 23.761 ( -2.032 0.000 4.694) 5.115 24.075 ( 6.039 0.000 1.853) 6.316 24.489 ( 2.054 0.000 1.491) 2.538 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 1.227 0.000 13.708) 13.763 2.065 ( -2.759 0.000 7.637) 8.120 2.202 ( -1.944 0.000 15.716) 15.836 2.475 ( -5.783 0.000 -1.831) 6.066 2.513 ( 11.385 0.000 -1.901) 11.542 2.813 ( -6.697 0.000 0.106) 6.698 2.949 ( 12.516 0.000 4.138) 13.182 3.143 ( 5.001 0.000 8.351) 9.734 3.155 ( 10.704 0.000 0.296) 10.708 3.295 ( 3.426 0.000 -4.045) 5.301 3.471 ( 0.010 0.000 1.711) 1.711 3.574 ( 3.933 0.000 6.594) 7.678 3.700 ( -3.805 0.000 -1.017) 3.939 3.718 ( 10.183 0.000 1.682) 10.321 3.975 ( 7.427 0.000 -1.026) 7.498 4.132 ( -1.746 0.000 1.016) 2.020 4.138 ( 3.679 0.000 -2.336) 4.358 4.331 ( -2.943 0.000 -2.708) 3.999 4.404 ( -0.537 0.000 4.108) 4.143 4.805 ( 9.168 0.000 -8.597) 12.568 4.925 ( -0.670 0.000 -3.727) 3.787 4.925 ( 4.740 0.000 -4.216) 6.344 5.579 ( 0.365 0.000 1.042) 1.105 5.666 ( -5.298 0.000 0.253) 5.304 5.813 ( 1.170 0.000 4.048) 4.214 5.946 ( 4.616 0.000 -2.707) 5.351 5.999 ( -3.178 0.000 0.374) 3.199 6.143 ( 3.966 0.000 -9.966) 10.726 6.379 ( -1.161 0.000 -1.065) 1.576 6.448 ( -2.468 0.000 -3.861) 4.583 6.731 ( -7.388 0.000 -2.388) 7.764 6.736 ( -2.627 0.000 -4.793) 5.466 7.225 ( 1.556 0.000 2.608) 3.037 7.345 ( 4.612 0.000 -4.365) 6.350 7.856 ( -0.874 0.000 1.927) 2.116 7.902 ( -1.730 0.000 0.375) 1.770 8.144 ( 1.867 0.000 7.069) 7.311 8.330 ( 0.635 0.000 0.359) 0.729 8.523 ( 5.484 0.000 -4.281) 6.957 8.746 ( 2.832 0.000 -8.870) 9.311 9.354 ( -1.309 0.000 10.102) 10.187 9.588 ( 3.761 0.000 4.090) 5.556 9.819 ( 0.853 0.000 -1.981) 2.157 9.962 ( 9.216 0.000 -9.242) 13.052 10.414 ( 2.165 0.000 1.351) 2.552 10.465 ( 1.340 0.000 -4.909) 5.089 10.724 ( -4.454 0.000 2.227) 4.979 10.854 ( -9.497 0.000 -0.375) 9.504 11.892 ( -2.787 0.000 9.801) 10.190 12.295 ( -7.245 0.000 11.922) 13.951 12.504 ( -0.344 0.000 -5.379) 5.390 12.724 ( -0.627 0.000 0.253) 0.676 12.855 ( -2.057 0.000 -0.050) 2.058 13.161 ( -0.894 0.000 3.099) 3.225 13.392 ( -4.238 0.000 0.941) 4.341 13.407 ( -2.087 0.000 3.274) 3.883 13.786 ( -2.560 0.000 0.404) 2.591 14.202 ( -0.439 0.000 -4.170) 4.193 14.919 ( 7.794 0.000 -1.754) 7.989 15.209 ( -3.826 0.000 -4.536) 5.934 18.695 ( -4.648 0.000 5.819) 7.448 18.883 ( 3.322 0.000 -4.155) 5.320 19.980 ( 7.941 0.000 -2.215) 8.245 20.037 ( -11.468 0.000 8.681) 14.383 21.303 ( -2.993 0.000 1.247) 3.242 21.645 ( 1.272 0.000 -11.595) 11.664 22.585 ( 2.936 0.000 12.624) 12.961 23.162 ( 22.559 0.000 -18.258) 29.021 23.720 ( 0.570 0.000 -1.829) 1.916 23.742 ( -1.960 0.000 3.524) 4.032 24.247 ( 11.594 0.000 -2.292) 11.819 24.505 ( -0.835 0.000 0.326) 0.896 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -7.794 0.000 12.439) 14.679 1.912 ( -12.614 0.000 13.439) 18.431 2.225 ( -0.416 0.000 7.414) 7.426 2.371 ( -7.137 0.000 -4.912) 8.664 2.735 ( 10.865 0.000 2.682) 11.191 2.737 ( 1.694 0.000 6.636) 6.849 3.196 ( -0.264 0.000 -0.320) 0.415 3.215 ( 12.629 0.000 1.577) 12.728 3.335 ( 7.870 0.000 1.710) 8.053 3.350 ( 2.825 0.000 -2.192) 3.576 3.483 ( -0.324 0.000 2.787) 2.805 3.557 ( -8.956 0.000 8.006) 12.013 3.618 ( -3.858 0.000 -2.516) 4.605 3.854 ( 1.465 0.000 2.610) 2.993 3.984 ( -4.070 0.000 2.652) 4.858 4.151 ( -1.482 0.000 -0.239) 1.501 4.194 ( 2.612 0.000 -2.051) 3.320 4.304 ( 0.795 0.000 -2.133) 2.277 4.376 ( -3.047 0.000 4.350) 5.311 4.845 ( -3.271 0.000 -9.920) 10.445 4.921 ( 2.721 0.000 -4.944) 5.643 5.000 ( 3.265 0.000 -5.804) 6.659 5.530 ( -7.013 0.000 -0.280) 7.019 5.543 ( -4.409 0.000 5.895) 7.361 5.794 ( -2.051 0.000 -3.908) 4.414 6.013 ( 1.830 0.000 -2.559) 3.145 6.038 ( 6.392 0.000 3.908) 7.492 6.273 ( 11.395 0.000 -6.507) 13.122 6.279 ( -6.717 0.000 -4.839) 8.278 6.408 ( -0.754 0.000 -4.137) 4.205 6.647 ( 0.148 0.000 -1.189) 1.198 6.669 ( -3.657 0.000 -0.842) 3.752 7.243 ( -0.829 0.000 1.986) 2.152 7.398 ( 2.840 0.000 -4.115) 5.000 7.886 ( 0.169 0.000 -0.137) 0.218 7.894 ( 4.316 0.000 1.547) 4.585 8.157 ( -2.619 0.000 6.436) 6.948 8.344 ( 0.513 0.000 0.517) 0.728 8.572 ( 0.374 0.000 -4.888) 4.903 8.740 ( -0.715 0.000 -7.265) 7.300 9.359 ( -1.285 0.000 8.979) 9.070 9.659 ( 2.545 0.000 3.929) 4.681 9.815 ( -0.364 0.000 -2.653) 2.677 10.082 ( 5.151 0.000 -8.468) 9.912 10.422 ( -3.466 0.000 -0.338) 3.482 10.484 ( 1.294 0.000 -3.379) 3.618 10.693 ( 1.671 0.000 1.134) 2.019 10.736 ( -0.037 0.000 0.469) 0.470 11.878 ( -1.905 0.000 10.980) 11.144 12.230 ( -3.126 0.000 11.804) 12.211 12.464 ( -1.298 0.000 -6.128) 6.264 12.676 ( -1.427 0.000 -2.063) 2.508 12.925 ( 5.310 0.000 3.539) 6.381 13.131 ( -2.945 0.000 -0.563) 2.999 13.357 ( -4.302 0.000 3.734) 5.696 13.366 ( 0.624 0.000 2.357) 2.438 13.790 ( 2.423 0.000 2.445) 3.442 14.161 ( -2.065 0.000 -5.762) 6.121 15.017 ( 2.803 0.000 -0.645) 2.876 15.115 ( -4.469 0.000 -4.355) 6.240 18.636 ( -3.000 0.000 4.813) 5.671 18.947 ( 4.499 0.000 -4.050) 6.053 19.862 ( -9.099 0.000 6.721) 11.312 20.118 ( 6.356 0.000 -0.306) 6.363 21.264 ( -1.313 0.000 0.650) 1.465 21.638 ( 1.526 0.000 -10.375) 10.487 22.566 ( -8.526 0.000 10.948) 13.876 23.454 ( 13.070 0.000 -10.419) 16.715 23.683 ( -5.353 0.000 0.463) 5.373 23.738 ( 1.670 0.000 -1.051) 1.973 24.463 ( -3.121 0.000 -1.610) 3.512 24.486 ( 13.750 0.000 -5.064) 14.652 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -9.716 0.000 12.775) 16.050 1.720 ( -12.226 0.000 20.169) 23.586 2.187 ( -9.484 0.000 -2.912) 9.921 2.228 ( -0.951 0.000 2.615) 2.783 2.859 ( 6.758 0.000 6.461) 9.350 2.937 ( 8.470 0.000 4.024) 9.377 3.105 ( -15.091 0.000 4.367) 15.710 3.296 ( -9.489 0.000 -1.612) 9.625 3.356 ( -6.147 0.000 0.873) 6.209 3.404 ( 2.197 0.000 -2.706) 3.486 3.453 ( -0.785 0.000 6.437) 6.485 3.484 ( 6.864 0.000 1.269) 6.980 3.588 ( 2.573 0.000 -1.870) 3.181 3.759 ( -10.738 0.000 3.037) 11.159 3.903 ( -4.039 0.000 1.520) 4.315 4.095 ( -4.236 0.000 -0.959) 4.344 4.108 ( -9.889 0.000 -3.563) 10.511 4.341 ( -2.508 0.000 4.940) 5.540 4.376 ( 7.960 0.000 -0.012) 7.960 4.678 ( -10.545 0.000 -10.549) 14.915 4.923 ( -0.503 0.000 -4.945) 4.971 5.012 ( 0.496 0.000 -6.046) 6.067 5.429 ( -3.645 0.000 -0.113) 3.647 5.461 ( -5.772 0.000 6.328) 8.565 5.811 ( 4.322 0.000 -0.721) 4.382 6.017 ( 0.407 0.000 -1.954) 1.996 6.132 ( -6.103 0.000 -5.502) 8.217 6.186 ( 6.640 0.000 4.140) 7.825 6.408 ( 2.215 0.000 -6.678) 7.036 6.450 ( 3.887 0.000 -5.960) 7.116 6.609 ( 0.893 0.000 0.832) 1.221 6.691 ( 3.368 0.000 -3.129) 4.597 7.202 ( -3.658 0.000 2.187) 4.262 7.451 ( 4.216 0.000 -4.152) 5.918 7.910 ( 2.183 0.000 -0.411) 2.221 8.012 ( 6.706 0.000 0.155) 6.708 8.091 ( -5.687 0.000 6.003) 8.269 8.347 ( -0.557 0.000 0.841) 1.009 8.510 ( -4.695 0.000 -4.091) 6.227 8.682 ( -2.975 0.000 -5.846) 6.559 9.358 ( -1.190 0.000 5.973) 6.091 9.712 ( 1.820 0.000 1.745) 2.522 9.794 ( -0.857 0.000 -3.537) 3.639 10.074 ( -3.868 0.000 -7.695) 8.612 10.333 ( -2.838 0.000 0.453) 2.874 10.477 ( -0.835 0.000 -1.826) 2.008 10.806 ( 8.767 0.000 0.819) 8.805 10.836 ( 8.057 0.000 -0.754) 8.092 11.888 ( -0.605 0.000 12.514) 12.528 12.260 ( 2.730 0.000 14.500) 14.755 12.428 ( -0.375 0.000 -6.243) 6.254 12.672 ( 0.798 0.000 -0.295) 0.851 13.045 ( -5.132 0.000 -3.797) 6.384 13.051 ( 7.444 0.000 3.309) 8.146 13.273 ( -5.545 0.000 5.047) 7.498 13.424 ( 4.580 0.000 2.346) 5.146 13.877 ( 5.145 0.000 3.400) 6.167 14.093 ( -3.078 0.000 -6.443) 7.140 15.003 ( -6.060 0.000 -6.001) 8.529 15.020 ( -2.662 0.000 1.045) 2.860 18.614 ( -0.611 0.000 3.747) 3.797 19.019 ( 3.524 0.000 -2.693) 4.435 19.741 ( -4.692 0.000 4.082) 6.219 20.206 ( 1.861 0.000 3.457) 3.926 21.263 ( 1.452 0.000 -0.543) 1.550 21.642 ( 2.115 0.000 -9.233) 9.472 22.349 ( -15.798 0.000 6.835) 17.213 23.521 ( -11.292 0.000 -1.342) 11.371 23.625 ( 7.520 0.000 -7.811) 10.843 23.766 ( 1.077 0.000 0.197) 1.095 24.388 ( -3.469 0.000 -3.163) 4.694 24.713 ( 11.166 0.000 -7.843) 13.645 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -11.432 0.000 15.486) 19.248 1.568 ( -11.654 0.000 24.537) 27.164 1.998 ( -10.004 0.000 -3.112) 10.477 2.178 ( -8.100 0.000 3.615) 8.870 2.580 ( -29.744 0.000 8.747) 31.004 2.993 ( 4.661 0.000 5.208) 6.989 3.084 ( 0.326 0.000 8.137) 8.143 3.206 ( -8.047 0.000 -3.160) 8.645 3.242 ( -12.566 0.000 3.049) 12.931 3.293 ( 8.757 0.000 -6.022) 10.628 3.425 ( -8.109 0.000 0.291) 8.114 3.586 ( -3.440 0.000 2.647) 4.340 3.626 ( 4.445 0.000 -2.345) 5.026 3.661 ( 3.124 0.000 2.132) 3.782 3.860 ( -7.779 0.000 -6.310) 10.017 3.880 ( -1.799 0.000 1.992) 2.684 4.047 ( 1.237 0.000 1.984) 2.338 4.295 ( -4.059 0.000 4.209) 5.847 4.375 ( -14.924 0.000 -5.893) 16.045 4.594 ( 9.914 0.000 -3.042) 10.371 4.918 ( 3.487 0.000 -7.161) 7.965 5.001 ( -0.396 0.000 -3.759) 3.780 5.370 ( -5.277 0.000 5.065) 7.314 5.370 ( -2.928 0.000 1.103) 3.129 5.898 ( 3.407 0.000 0.993) 3.548 6.018 ( -1.410 0.000 -6.779) 6.924 6.038 ( -0.473 0.000 -0.166) 0.501 6.264 ( -2.636 0.000 1.897) 3.248 6.381 ( -2.560 0.000 -0.396) 2.590 6.437 ( 2.764 0.000 -7.515) 8.007 6.698 ( -1.877 0.000 -5.911) 6.202 6.705 ( 4.266 0.000 -2.432) 4.911 7.155 ( -0.944 0.000 3.293) 3.426 7.527 ( 4.619 0.000 -4.581) 6.506 7.913 ( -4.613 0.000 3.772) 5.959 8.036 ( 1.080 0.000 1.721) 2.032 8.086 ( -0.730 0.000 -2.948) 3.037 8.326 ( -1.751 0.000 0.870) 1.955 8.414 ( -2.850 0.000 -0.861) 2.978 8.609 ( -2.288 0.000 -6.768) 7.144 9.351 ( -0.886 0.000 2.845) 2.980 9.716 ( -2.317 0.000 -1.382) 2.698 9.758 ( -1.809 0.000 -4.660) 4.999 9.942 ( -5.694 0.000 -6.286) 8.482 10.320 ( 0.258 0.000 0.997) 1.030 10.458 ( -0.351 0.000 -1.884) 1.917 10.978 ( 7.469 0.000 0.277) 7.474 10.988 ( 7.543 0.000 -1.617) 7.715 11.933 ( 1.005 0.000 12.693) 12.733 12.408 ( 0.023 0.000 -5.805) 5.805 12.483 ( 17.364 0.000 21.129) 27.348 12.685 ( 0.200 0.000 2.144) 2.154 12.923 ( -5.657 0.000 -5.113) 7.625 13.193 ( -4.191 0.000 7.581) 8.663 13.258 ( 13.562 0.000 1.971) 13.705 13.546 ( 7.143 0.000 0.349) 7.152 13.985 ( 4.544 0.000 3.026) 5.459 14.001 ( -4.448 0.000 -5.544) 7.108 14.819 ( -11.668 0.000 -8.322) 14.332 14.911 ( -9.597 0.000 2.889) 10.023 18.637 ( 1.971 0.000 2.910) 3.515 19.045 ( -0.632 0.000 -0.427) 0.763 19.737 ( 4.198 0.000 1.391) 4.423 20.195 ( -4.910 0.000 7.533) 8.992 21.328 ( 5.929 0.000 -1.612) 6.144 21.663 ( 2.786 0.000 -8.202) 8.662 22.048 ( -15.985 0.000 2.433) 16.169 23.211 ( -20.287 0.000 -7.820) 21.742 23.716 ( 4.049 0.000 -4.291) 5.900 23.775 ( -0.315 0.000 0.831) 0.889 24.325 ( -1.729 0.000 -3.473) 3.880 24.824 ( 2.115 0.000 -12.534) 12.711 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -10.186 0.000 19.652) 22.135 1.269 ( -30.645 0.000 15.225) 34.219 1.777 ( -9.845 0.000 -5.398) 11.228 1.889 ( -15.431 0.000 33.544) 36.923 2.336 ( -1.083 0.000 -4.975) 5.092 2.947 ( -11.096 0.000 2.212) 11.315 2.975 ( -9.395 0.000 4.861) 10.578 3.140 ( 0.580 0.000 -1.906) 1.993 3.153 ( 2.490 0.000 6.361) 6.831 3.241 ( -7.349 0.000 -1.508) 7.502 3.488 ( 7.629 0.000 -0.176) 7.631 3.579 ( 2.943 0.000 2.361) 3.773 3.620 ( -4.332 0.000 -0.216) 4.337 3.687 ( 2.279 0.000 -7.119) 7.475 3.821 ( 8.224 0.000 1.504) 8.361 3.995 ( 10.191 0.000 -0.061) 10.192 4.004 ( -14.625 0.000 4.123) 15.195 4.189 ( 3.632 0.000 -2.399) 4.353 4.200 ( -6.605 0.000 0.970) 6.676 4.668 ( -0.806 0.000 -5.658) 5.715 4.941 ( -6.008 0.000 -0.329) 6.017 5.041 ( 8.991 0.000 -8.914) 12.660 5.309 ( -1.725 0.000 2.673) 3.181 5.339 ( 0.420 0.000 3.034) 3.062 5.916 ( -2.108 0.000 -0.222) 2.120 5.972 ( -0.348 0.000 -5.478) 5.489 6.053 ( 1.044 0.000 -1.347) 1.704 6.133 ( -7.135 0.000 0.689) 7.169 6.385 ( -0.191 0.000 1.154) 1.170 6.452 ( 0.515 0.000 -5.795) 5.818 6.641 ( 0.669 0.000 -5.265) 5.307 6.680 ( -6.936 0.000 -0.983) 7.006 7.189 ( 2.567 0.000 3.097) 4.023 7.568 ( -0.309 0.000 -5.614) 5.623 7.808 ( -6.188 0.000 6.047) 8.652 7.963 ( -8.391 0.000 -0.972) 8.447 8.093 ( 3.008 0.000 -0.203) 3.015 8.290 ( -2.054 0.000 0.500) 2.113 8.402 ( 0.634 0.000 -2.120) 2.213 8.547 ( -2.181 0.000 -7.231) 7.553 9.345 ( -0.278 0.000 1.150) 1.183 9.602 ( -8.375 0.000 -0.712) 8.405 9.695 ( -2.433 0.000 -6.123) 6.589 9.853 ( -1.881 0.000 -5.103) 5.439 10.331 ( 0.282 0.000 1.545) 1.571 10.455 ( 0.615 0.000 -2.187) 2.272 11.056 ( 0.583 0.000 0.405) 0.710 11.103 ( 4.787 0.000 -1.512) 5.020 11.982 ( -0.079 0.000 10.238) 10.239 12.391 ( -0.027 0.000 -4.812) 4.812 12.696 ( 0.178 0.000 2.947) 2.953 12.785 ( -4.129 0.000 -3.891) 5.673 13.048 ( 13.572 0.000 6.846) 15.201 13.301 ( 31.353 0.000 23.034) 38.904 13.570 ( 17.263 0.000 2.148) 17.396 13.642 ( 0.893 0.000 -6.125) 6.190 13.936 ( 1.855 0.000 -1.128) 2.171 14.058 ( 2.330 0.000 2.208) 3.210 14.483 ( -20.755 0.000 -7.848) 22.190 14.665 ( -17.067 0.000 3.629) 17.448 18.702 ( 3.678 0.000 2.604) 4.506 18.996 ( -3.900 0.000 0.291) 3.911 19.936 ( 16.955 0.000 0.133) 16.956 20.069 ( -10.248 0.000 8.750) 13.476 21.486 ( 10.792 0.000 -0.521) 10.805 21.697 ( 3.042 0.000 -7.165) 7.784 21.785 ( -11.096 0.000 -0.617) 11.113 22.654 ( -35.602 0.000 -11.516) 37.418 23.763 ( 2.204 0.000 -2.664) 3.458 23.763 ( -1.019 0.000 0.853) 1.329 24.310 ( 1.120 0.000 -2.379) 2.630 24.666 ( -14.892 0.000 -11.858) 19.037 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -6.378 13.969 13.950) 20.746 1.287 ( -1.701 22.092 15.568) 27.079 1.757 ( 5.080 4.447 -1.577) 6.934 1.975 ( -0.811 8.910 35.193) 36.312 2.437 ( 2.207 9.077 -6.115) 11.165 2.692 ( -3.834 -7.419 1.869) 8.557 2.843 ( -2.803 -3.563 3.089) 5.485 3.061 ( -1.733 -5.513 -1.079) 5.878 3.158 ( 0.620 -0.896 0.690) 1.290 3.256 ( 0.168 4.045 4.015) 5.702 3.442 ( -7.868 -0.347 4.624) 9.132 3.537 ( 1.577 -4.221 -4.785) 6.573 3.664 ( -10.572 0.985 -1.616) 10.740 3.743 ( 9.664 0.580 1.609) 9.814 3.799 ( -3.212 -0.226 -0.250) 3.230 4.033 ( -1.667 0.921 -0.361) 1.938 4.083 ( 8.793 5.326 0.668) 10.302 4.288 ( 13.725 2.283 -2.357) 14.112 4.429 ( -0.677 7.456 -5.218) 9.125 4.637 ( -2.410 0.489 -6.620) 7.062 4.725 ( -7.879 -3.451 0.252) 8.605 5.027 ( -0.512 -5.152 -7.941) 9.480 5.341 ( 3.214 1.437 0.409) 3.544 5.416 ( 5.729 -1.190 1.207) 5.975 5.842 ( -1.497 -2.331 -2.727) 3.887 5.965 ( -2.777 -4.343 3.685) 6.336 6.022 ( 4.113 1.973 -5.168) 6.893 6.087 ( -0.951 2.384 0.957) 2.739 6.360 ( -1.138 1.451 -3.492) 3.949 6.431 ( 4.584 -0.537 0.208) 4.620 6.583 ( -5.609 4.008 -0.244) 6.898 6.718 ( 6.709 -0.642 -2.830) 7.310 7.164 ( -3.682 -6.293 3.911) 8.274 7.375 ( -4.314 -2.907 -1.209) 5.341 7.593 ( -0.077 -13.414 3.925) 13.977 7.736 ( 3.028 -7.217 0.242) 7.830 8.197 ( 0.748 2.409 -1.744) 3.067 8.317 ( -1.330 4.802 -1.721) 5.271 8.483 ( -2.476 1.491 -4.505) 5.352 8.639 ( 1.433 10.492 -3.192) 11.060 9.376 ( -0.315 3.363 4.218) 5.404 9.500 ( -3.397 4.629 5.452) 7.918 9.793 ( -0.722 10.753 -7.783) 13.294 9.908 ( 0.132 7.474 -6.133) 9.669 10.357 ( -1.018 1.917 0.380) 2.203 10.484 ( 1.316 1.702 -3.343) 3.976 11.006 ( -3.705 -1.700 2.915) 5.012 11.141 ( 0.942 -1.552 -0.798) 1.983 12.000 ( -1.952 1.241 7.979) 8.308 12.368 ( 1.666 -1.595 -2.245) 3.219 12.585 ( -2.371 -8.123 2.771) 8.904 12.680 ( -2.449 -4.174 2.568) 5.478 13.092 ( 1.164 -2.503 5.648) 6.286 13.463 ( -4.752 -7.477 -3.471) 9.515 13.694 ( 6.435 -15.462 14.223) 21.972 13.904 ( 10.892 -1.577 2.550) 11.297 14.002 ( -5.527 1.253 0.664) 5.706 14.054 ( -1.190 0.054 1.440) 1.869 14.232 ( 3.060 0.535 -2.210) 3.812 14.547 ( 7.408 0.467 -8.377) 11.192 18.993 ( -3.524 8.911 0.421) 9.592 19.152 ( 4.257 24.679 -7.561) 26.160 19.873 ( -5.708 -1.723 5.836) 8.343 20.377 ( 20.224 -0.590 -7.103) 21.443 21.530 ( -4.190 -3.388 -0.093) 5.389 21.666 ( 6.126 -2.783 -4.184) 7.923 21.819 ( -1.191 3.582 0.298) 3.787 21.929 ( -18.088 0.437 -1.664) 18.170 23.720 ( -1.814 -0.957 2.282) 3.068 23.810 ( 2.303 0.566 -1.123) 2.624 24.293 ( -13.108 0.957 0.744) 13.164 24.348 ( 1.320 -0.241 -0.647) 1.490 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 21.398 9.125 11.349) 25.883 1.437 ( 15.005 19.812 12.080) 27.633 2.011 ( 17.234 0.511 5.846) 18.205 2.114 ( 4.762 7.356 26.357) 27.776 2.475 ( 4.956 10.291 -6.690) 13.238 2.712 ( 5.165 -7.006 1.146) 8.779 2.876 ( 2.705 -4.400 7.245) 8.898 2.974 ( -7.671 -0.947 -2.660) 8.174 3.142 ( -5.124 0.541 4.577) 6.892 3.286 ( 4.393 2.263 -1.278) 5.104 3.303 ( -6.037 -0.142 4.735) 7.673 3.471 ( -2.672 0.996 -0.237) 2.862 3.569 ( -1.411 -2.347 -2.030) 3.409 3.740 ( -2.390 -2.727 -0.163) 3.630 3.870 ( 0.873 4.066 -2.309) 4.757 3.995 ( 3.389 2.977 -4.490) 6.365 4.277 ( 8.861 3.259 -1.043) 9.499 4.368 ( -3.172 -1.780 2.400) 4.358 4.424 ( -2.304 2.166 -1.046) 3.330 4.625 ( 0.654 2.737 -6.557) 7.135 4.654 ( 6.056 -0.698 -1.112) 6.197 4.966 ( -2.772 -5.563 -4.614) 7.741 5.414 ( 5.019 1.089 -1.997) 5.511 5.541 ( 6.545 -1.183 -1.602) 6.842 5.810 ( -1.952 -4.642 0.815) 5.102 5.923 ( -2.561 -4.980 2.580) 6.166 6.032 ( -0.665 0.580 -4.149) 4.242 6.188 ( 6.985 3.664 2.255) 8.204 6.310 ( -0.660 2.048 -6.313) 6.669 6.504 ( -2.147 -0.903 -2.646) 3.525 6.655 ( 15.190 4.432 -7.407) 17.471 6.845 ( 5.778 -1.266 -2.469) 6.410 7.099 ( -3.335 -6.719 4.610) 8.804 7.313 ( -1.854 1.249 0.164) 2.242 7.659 ( 5.038 -12.919 3.150) 14.220 7.785 ( 1.562 -6.549 0.520) 6.753 8.188 ( -1.177 3.986 -0.421) 4.178 8.295 ( -0.459 3.445 -1.247) 3.693 8.471 ( 2.543 1.831 -3.695) 4.845 8.664 ( 2.516 7.894 -4.273) 9.322 9.386 ( -0.621 2.699 6.982) 7.511 9.479 ( -0.049 5.878 5.369) 7.961 9.801 ( 4.010 9.722 -7.794) 13.090 9.908 ( 1.571 8.592 -5.057) 10.093 10.343 ( -0.504 -0.325 0.665) 0.895 10.499 ( 1.249 2.108 -3.647) 4.393 10.925 ( -5.638 -1.066 3.584) 6.765 11.115 ( -3.359 -1.760 -0.528) 3.829 11.970 ( -3.376 0.976 7.629) 8.399 12.410 ( 3.439 -0.282 -2.296) 4.145 12.529 ( -5.531 -4.884 7.299) 10.379 12.630 ( -3.032 -6.486 2.639) 7.631 13.142 ( 1.606 -1.757 6.543) 6.962 13.260 ( -11.286 -1.553 -3.764) 11.998 13.533 ( -13.866 -2.547 6.698) 15.609 13.851 ( -12.934 -1.505 -1.679) 13.129 13.977 ( -6.078 0.863 0.743) 6.184 14.127 ( 7.538 0.773 0.112) 7.578 14.378 ( 15.664 -4.141 -0.586) 16.213 14.903 ( 19.076 -14.755 -8.769) 25.661 18.923 ( -3.279 7.274 0.055) 7.979 19.103 ( -6.850 19.817 -2.434) 21.108 19.813 ( -0.849 1.273 0.521) 1.617 20.444 ( -11.471 -5.689 2.454) 13.037 21.515 ( -5.498 4.396 0.983) 7.107 21.591 ( 6.454 -0.897 -11.109) 12.879 22.022 ( 27.223 -3.291 -10.749) 29.453 22.066 ( 13.865 -1.887 5.802) 15.148 23.700 ( -1.106 -0.692 3.423) 3.663 23.850 ( 2.180 1.488 -2.501) 3.636 24.085 ( -6.952 4.600 4.582) 9.513 24.425 ( 4.548 -0.228 0.872) 4.636 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 10.482 13.281 14.374) 22.201 1.893 ( 21.387 6.583 3.667) 22.675 2.212 ( -0.797 4.053 24.104) 24.455 2.316 ( 7.137 -1.441 2.271) 7.627 2.640 ( 10.298 4.748 -7.502) 13.597 2.782 ( -4.540 5.197 0.369) 6.910 2.856 ( 7.073 -3.566 1.810) 8.126 2.973 ( 6.390 -2.344 10.393) 12.424 3.038 ( -7.019 -0.094 2.980) 7.626 3.257 ( 1.231 0.583 -3.383) 3.647 3.401 ( 5.911 -0.549 5.545) 8.123 3.516 ( 3.947 0.849 0.062) 4.038 3.541 ( 2.154 0.864 -0.030) 2.321 3.702 ( -2.100 -5.863 0.396) 6.240 3.924 ( 7.731 8.767 -6.189) 13.226 4.048 ( 3.551 -0.365 -4.728) 5.924 4.249 ( -6.724 0.577 4.242) 7.971 4.393 ( 2.414 0.720 1.065) 2.735 4.424 ( -1.055 2.668 -2.707) 3.945 4.639 ( 7.028 1.468 -5.747) 9.197 4.809 ( 6.851 -1.044 -2.958) 7.535 4.913 ( -1.277 -4.409 -2.376) 5.169 5.514 ( 5.273 0.283 -2.201) 5.721 5.654 ( 5.558 -0.925 -1.828) 5.923 5.781 ( -1.963 -3.460 5.921) 7.134 5.878 ( -1.975 -4.052 -1.019) 4.622 6.025 ( 1.273 -1.037 -2.700) 3.160 6.192 ( -3.649 1.606 -2.915) 4.938 6.374 ( 5.445 3.709 -3.946) 7.679 6.436 ( -3.936 -4.739 -3.006) 6.855 6.806 ( 0.558 0.760 -6.097) 6.169 6.894 ( 0.225 3.184 -5.046) 5.971 7.097 ( 2.310 -5.034 3.345) 6.471 7.330 ( 4.027 3.395 -2.333) 5.761 7.746 ( 0.968 -10.961 2.373) 11.257 7.811 ( 1.922 -6.405 1.527) 6.859 8.173 ( 0.033 4.167 1.533) 4.440 8.285 ( -0.194 1.099 -1.858) 2.167 8.534 ( 4.135 3.891 -2.018) 6.026 8.710 ( 3.771 3.310 -5.991) 7.815 9.396 ( -0.851 3.973 9.499) 10.331 9.529 ( 3.138 3.841 5.075) 7.096 9.890 ( 6.575 9.474 -7.306) 13.651 9.934 ( 3.289 8.567 -4.854) 10.382 10.345 ( 0.594 -1.788 0.606) 1.979 10.507 ( 0.782 2.738 -3.993) 4.905 10.820 ( -6.037 -0.317 3.079) 6.784 11.013 ( -6.893 -1.299 -0.491) 7.032 11.925 ( -3.605 0.267 7.718) 8.523 12.417 ( -8.266 -1.067 10.651) 13.525 12.464 ( 1.661 -2.087 -3.774) 4.621 12.613 ( 1.442 -6.946 2.597) 7.554 13.017 ( -11.153 -0.106 -1.812) 11.300 13.209 ( 2.015 0.074 5.665) 6.014 13.333 ( -8.572 -2.382 2.423) 9.221 13.625 ( -8.387 3.449 -0.476) 9.081 13.870 ( -5.243 0.296 -0.040) 5.251 14.231 ( 3.549 3.191 -2.410) 5.346 14.648 ( 11.705 -7.247 -0.013) 13.767 15.106 ( 5.640 -12.326 -6.988) 15.250 18.865 ( -4.071 6.676 2.194) 8.121 18.956 ( -5.518 10.244 -1.058) 11.683 19.832 ( 2.156 -1.581 -0.429) 2.708 20.209 ( -11.989 -3.914 6.357) 14.124 21.418 ( -4.524 4.430 2.716) 6.890 21.664 ( 4.411 1.496 -12.473) 13.314 22.342 ( 11.162 -4.834 9.827) 15.637 22.602 ( 32.777 -6.617 -20.026) 38.976 23.698 ( -0.314 -0.189 3.449) 3.469 23.857 ( -0.492 4.726 -3.831) 6.104 24.069 ( 3.321 0.976 4.377) 5.580 24.508 ( 3.442 1.043 0.610) 3.648 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.746 13.971 12.751) 18.930 2.091 ( -2.676 1.668 3.181) 4.479 2.253 ( 0.708 5.705 17.367) 18.294 2.402 ( 2.131 -2.567 8.768) 9.382 2.599 ( 0.753 3.979 -8.994) 9.863 2.840 ( -6.293 1.580 1.875) 6.754 2.988 ( 6.614 1.233 3.732) 7.694 3.032 ( 10.110 -4.613 0.904) 11.149 3.165 ( 8.373 -1.854 6.415) 10.710 3.287 ( 2.569 -0.349 -4.734) 5.398 3.504 ( -0.872 3.035 -1.216) 3.384 3.563 ( 6.204 -0.251 8.393) 10.440 3.660 ( -1.999 -3.746 -0.951) 4.351 3.697 ( 8.061 -2.079 2.354) 8.651 4.065 ( 1.240 4.567 -0.965) 4.829 4.109 ( 9.516 2.388 -3.190) 10.317 4.199 ( -0.239 3.667 0.160) 3.678 4.337 ( -4.194 0.328 -2.724) 5.012 4.442 ( 1.154 3.332 2.609) 4.386 4.782 ( 7.512 -2.425 -6.600) 10.290 4.847 ( -0.274 -5.520 -5.188) 7.580 4.943 ( 3.920 1.214 -3.631) 5.480 5.573 ( 0.308 -0.181 2.457) 2.483 5.679 ( -3.886 0.320 -0.336) 3.913 5.788 ( 1.587 -2.301 1.787) 3.318 5.891 ( 4.081 -3.732 -2.471) 6.057 6.037 ( -0.649 1.858 0.688) 2.085 6.145 ( 3.114 0.035 -8.109) 8.687 6.338 ( -4.516 -6.342 -2.407) 8.150 6.427 ( 0.437 3.367 -2.250) 4.073 6.712 ( -6.341 -0.725 -1.718) 6.610 6.837 ( -3.726 5.517 -3.783) 7.657 7.175 ( 3.964 -3.003 1.829) 5.299 7.401 ( 3.269 3.331 -5.001) 6.841 7.730 ( -1.695 -9.453 2.505) 9.925 7.849 ( 1.053 -3.976 0.877) 4.206 8.198 ( 1.365 0.790 1.985) 2.535 8.274 ( -0.351 0.089 -1.322) 1.370 8.606 ( 3.750 3.881 -1.289) 5.549 8.754 ( 2.224 0.986 -6.634) 7.066 9.412 ( -0.733 5.332 10.432) 11.738 9.607 ( 2.676 2.281 5.675) 6.676 9.924 ( 0.479 8.844 -3.488) 9.519 10.065 ( 10.021 8.640 -9.079) 16.047 10.374 ( 2.196 -2.363 0.785) 3.320 10.507 ( 0.591 2.480 -4.171) 4.889 10.722 ( -4.939 -0.025 2.454) 5.515 10.866 ( -7.322 1.028 -0.790) 7.435 11.885 ( -2.988 -0.453 8.323) 8.855 12.302 ( -6.630 0.672 10.966) 12.832 12.439 ( -1.836 -6.146 -5.159) 8.231 12.675 ( 1.397 -3.840 0.737) 4.152 12.862 ( -2.360 0.845 0.098) 2.509 13.204 ( -5.522 -1.150 0.853) 5.705 13.271 ( 2.337 -0.851 5.118) 5.690 13.510 ( -4.836 3.555 1.027) 6.089 13.796 ( -2.064 0.967 1.250) 2.600 14.254 ( 0.156 4.541 -4.624) 6.482 14.815 ( 5.564 -9.610 0.856) 11.137 15.133 ( 0.373 -6.395 -5.885) 8.699 18.765 ( -6.032 6.138 4.990) 9.948 18.927 ( 1.960 4.065 -3.895) 5.961 19.854 ( -2.220 -7.785 4.719) 9.371 20.061 ( -3.225 -1.642 0.698) 3.685 21.353 ( -3.225 5.024 2.747) 6.572 21.704 ( 3.727 5.389 -11.443) 13.186 22.513 ( 2.543 -6.409 11.636) 13.525 23.082 ( 22.890 -7.441 -16.834) 29.372 23.696 ( -1.316 -0.579 2.837) 3.180 23.827 ( -1.028 5.166 -4.154) 6.709 24.198 ( 8.088 -2.215 2.726) 8.818 24.554 ( 1.668 2.813 -1.619) 3.649 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -7.629 12.920 11.408) 18.849 1.956 ( -11.499 4.023 12.391) 17.376 2.309 ( 0.342 7.599 9.058) 11.829 2.393 ( -4.698 2.063 -3.516) 6.220 2.711 ( 8.873 -1.432 4.162) 9.905 2.769 ( 1.375 2.094 4.488) 5.140 3.082 ( 1.597 -4.518 1.115) 4.920 3.225 ( 8.118 -5.762 1.041) 10.010 3.300 ( 4.301 -3.824 3.646) 6.813 3.339 ( 4.364 -0.568 -2.883) 5.262 3.452 ( -3.842 -0.413 -1.202) 4.047 3.603 ( -5.993 2.570 6.627) 9.297 3.628 ( -0.879 1.813 -0.255) 2.031 3.793 ( 0.309 -4.234 1.703) 4.574 4.057 ( -1.935 4.938 2.035) 5.681 4.167 ( -2.082 2.206 -4.248) 5.220 4.236 ( -1.939 1.394 0.902) 2.553 4.309 ( 4.942 1.873 -1.333) 5.451 4.448 ( -1.035 5.920 2.672) 6.577 4.795 ( -4.026 -4.600 -7.999) 10.067 4.879 ( 4.676 -4.039 -4.979) 7.935 4.974 ( 0.354 -0.383 -6.282) 6.304 5.543 ( -4.323 0.359 5.952) 7.364 5.567 ( -6.253 2.147 -0.461) 6.628 5.781 ( -1.008 -1.389 -3.533) 3.928 5.976 ( 3.963 -2.694 -2.243) 5.291 6.071 ( 4.518 1.595 1.378) 4.985 6.210 ( -2.946 -3.689 -3.359) 5.794 6.284 ( 6.912 -1.218 -3.899) 8.029 6.404 ( -0.977 1.677 -4.153) 4.584 6.641 ( 0.391 -0.338 -0.354) 0.626 6.752 ( -4.169 5.094 -2.047) 6.894 7.238 ( 1.692 -0.594 1.764) 2.515 7.417 ( 0.589 1.557 -5.009) 5.278 7.724 ( 0.217 -11.577 2.866) 11.928 7.865 ( 0.882 -2.641 -0.345) 2.806 8.213 ( -0.502 -1.166 0.908) 1.561 8.272 ( 0.509 1.006 -0.169) 1.141 8.652 ( 0.830 4.063 -1.314) 4.350 8.750 ( -0.344 0.669 -5.935) 5.982 9.425 ( -1.305 6.239 10.003) 11.861 9.652 ( 0.210 0.652 5.192) 5.237 9.921 ( 0.625 8.020 -3.602) 8.813 10.190 ( 4.157 8.718 -8.724) 13.015 10.410 ( 0.323 -1.019 -0.361) 1.128 10.504 ( 0.134 1.463 -3.610) 3.898 10.665 ( -0.111 -0.567 2.630) 2.693 10.791 ( 1.207 3.554 -1.237) 3.952 11.864 ( -2.006 -1.072 9.470) 9.739 12.239 ( -3.279 0.777 10.861) 11.372 12.389 ( -1.310 -6.590 -5.542) 8.710 12.651 ( -1.226 -2.435 -1.869) 3.306 12.923 ( 4.979 0.276 3.934) 6.351 13.104 ( -4.967 -3.252 -0.786) 5.989 13.326 ( 0.819 1.369 5.429) 5.658 13.433 ( -2.533 2.290 0.278) 3.426 13.808 ( 2.406 1.771 3.426) 4.546 14.220 ( -1.724 5.341 -6.249) 8.399 14.865 ( -0.699 -11.592 1.613) 11.724 15.114 ( -0.311 -2.327 -5.822) 6.278 18.693 ( -2.733 5.206 4.272) 7.268 18.979 ( 4.414 2.890 -3.946) 6.588 19.768 ( -6.838 -7.201 7.274) 12.310 20.086 ( 4.043 -4.246 -1.604) 6.079 21.307 ( -2.372 4.717 2.147) 5.699 21.737 ( 3.194 8.608 -10.541) 13.979 22.494 ( -8.021 -6.551 10.417) 14.689 23.385 ( 13.548 -7.587 -12.192) 19.742 23.646 ( -5.000 -0.908 2.571) 5.695 23.802 ( -0.140 4.031 -3.752) 5.509 24.349 ( 5.076 -4.123 2.138) 6.880 24.585 ( 3.902 3.288 -5.126) 7.233 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -7.931 14.073 11.290) 19.708 1.775 ( -11.540 5.203 18.780) 22.648 2.241 ( -8.309 5.033 -3.033) 10.177 2.323 ( -1.060 8.433 4.305) 9.527 2.843 ( 2.633 -1.264 7.394) 7.950 2.929 ( 9.572 -1.180 4.539) 10.659 3.080 ( -1.580 -3.645 -0.983) 4.092 3.213 ( -13.001 -3.905 1.142) 13.623 3.288 ( -8.326 -4.499 4.809) 10.615 3.392 ( 2.220 -5.958 -1.214) 6.473 3.422 ( -6.401 -0.059 7.012) 9.494 3.482 ( 5.400 -0.006 -5.588) 7.771 3.641 ( -0.596 2.092 3.233) 3.897 3.730 ( -4.231 0.490 -0.894) 4.352 3.984 ( -5.421 5.558 2.995) 8.322 4.092 ( -5.134 1.311 -6.813) 8.631 4.147 ( -5.972 2.088 -0.404) 6.339 4.396 ( 2.782 4.095 2.179) 5.409 4.447 ( 2.025 6.101 0.924) 6.495 4.637 ( -9.307 -3.860 -9.627) 13.935 4.900 ( -2.532 -0.768 -4.681) 5.376 4.943 ( 0.953 -6.073 -4.530) 7.636 5.454 ( -5.275 0.045 2.973) 6.055 5.471 ( -4.497 2.467 2.292) 5.618 5.800 ( 3.677 -0.876 -1.665) 4.131 6.006 ( 0.911 -1.243 -2.210) 2.694 6.076 ( -4.010 -4.175 -3.687) 6.864 6.219 ( 5.123 2.661 4.204) 7.141 6.389 ( 0.709 -0.116 -4.843) 4.896 6.424 ( 4.596 -3.297 -6.405) 8.545 6.675 ( -0.483 4.493 -0.295) 4.529 6.699 ( 3.090 0.678 -2.362) 3.948 7.239 ( -2.073 2.639 1.549) 3.696 7.426 ( 2.441 -1.957 -4.898) 5.812 7.737 ( -0.540 -14.001 3.513) 14.445 7.875 ( -0.435 -6.439 -0.455) 6.469 8.188 ( -1.756 -0.256 -0.609) 1.876 8.295 ( 1.960 3.401 0.047) 3.926 8.629 ( -1.869 5.587 -2.095) 6.253 8.714 ( -1.771 2.070 -4.128) 4.946 9.419 ( -2.081 6.116 7.633) 10.000 9.652 ( -1.465 -1.148 3.772) 4.206 9.931 ( 1.585 8.191 -4.166) 9.325 10.138 ( -6.023 4.303 -5.963) 9.505 10.400 ( 0.012 5.985 -2.142) 6.357 10.489 ( -0.465 1.335 -2.777) 3.116 10.763 ( 8.195 -2.093 2.274) 8.758 10.885 ( 7.554 2.932 -2.142) 8.381 11.870 ( -0.418 -1.469 11.194) 11.297 12.251 ( 1.223 -0.818 12.475) 12.562 12.362 ( 0.193 -5.965 -4.841) 7.685 12.643 ( 0.295 -2.929 -0.290) 2.958 12.973 ( -3.580 -3.574 -0.635) 5.099 13.063 ( 3.686 -0.214 2.377) 4.391 13.300 ( -3.187 2.452 4.237) 5.841 13.468 ( 4.976 2.644 1.182) 5.758 13.892 ( 4.579 1.449 4.081) 6.303 14.156 ( -2.799 5.691 -6.930) 9.394 14.803 ( -6.225 -12.002 1.192) 13.573 15.075 ( -2.485 -1.206 -5.283) 5.962 18.692 ( 1.680 7.051 2.952) 7.826 19.060 ( 4.560 3.724 -2.681) 6.469 19.682 ( -3.444 -4.866 5.324) 7.993 20.157 ( 2.705 -4.976 1.292) 5.809 21.281 ( -0.525 2.726 0.793) 2.887 21.761 ( 2.406 9.953 -9.413) 13.909 22.289 ( -15.052 -5.575 6.783) 17.426 23.436 ( -8.579 -9.618 -8.303) 15.331 23.615 ( 4.999 1.171 -0.577) 5.167 23.794 ( -0.146 2.014 -1.710) 2.646 24.371 ( -1.814 -1.028 -0.752) 2.216 24.688 ( 6.969 -2.344 -6.197) 9.615 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -9.023 16.622 12.655) 22.756 1.631 ( -10.856 5.894 22.919) 26.036 2.067 ( -9.456 6.368 -3.401) 11.897 2.283 ( -7.344 9.409 4.639) 12.805 2.603 ( -25.355 1.610 9.061) 26.973 2.992 ( -5.922 -5.225 5.190) 9.450 3.047 ( 1.889 0.187 2.782) 3.368 3.117 ( -4.250 -4.766 -0.798) 6.436 3.219 ( 7.447 -2.963 -0.669) 8.043 3.284 ( -10.444 0.105 3.418) 10.990 3.376 ( -4.264 -4.397 1.451) 6.294 3.524 ( -1.667 -3.027 2.938) 4.536 3.588 ( 0.879 -2.774 -2.121) 3.601 3.762 ( 4.678 6.814 -1.666) 8.432 3.909 ( -9.279 3.796 -7.930) 12.783 3.937 ( -0.529 3.711 3.870) 5.388 4.070 ( -0.339 3.068 0.077) 3.088 4.362 ( -11.004 0.455 -6.592) 12.835 4.418 ( -4.549 6.907 1.681) 8.439 4.584 ( 9.458 -0.247 -2.152) 9.703 4.860 ( 1.428 -4.909 -5.569) 7.560 4.950 ( 0.562 -4.456 -3.632) 5.776 5.379 ( -3.507 0.300 3.069) 4.669 5.390 ( -4.808 1.928 2.166) 5.615 5.867 ( 2.598 -2.424 -1.651) 3.918 5.995 ( -0.148 -1.533 -3.908) 4.201 6.046 ( 0.819 0.316 0.368) 0.951 6.259 ( -4.940 -0.647 0.695) 5.030 6.363 ( -1.415 -1.527 -0.466) 2.133 6.431 ( 2.364 -1.021 -7.769) 8.184 6.699 ( -1.115 1.027 -4.473) 4.723 6.737 ( 2.486 2.271 -0.702) 3.440 7.198 ( -1.712 2.919 1.391) 3.658 7.472 ( 3.138 -4.782 -4.478) 7.264 7.709 ( -3.484 -14.119 4.218) 15.142 7.814 ( -6.251 -12.890 0.759) 14.346 8.165 ( 0.151 2.438 -1.894) 3.091 8.335 ( 1.805 4.486 -1.545) 5.076 8.599 ( -0.258 6.304 -2.228) 6.691 8.661 ( -2.404 5.034 -3.590) 6.634 9.397 ( -2.002 5.182 4.797) 7.340 9.619 ( -3.029 -1.686 2.838) 4.480 9.939 ( -0.189 9.361 -6.595) 11.452 10.000 ( -5.023 4.065 -4.350) 7.790 10.393 ( -0.306 6.049 -1.851) 6.333 10.476 ( 0.071 2.089 -2.911) 3.584 10.940 ( 8.713 -2.445 1.118) 9.118 11.010 ( 5.081 0.895 -2.432) 5.704 11.922 ( 2.024 -0.811 11.729) 11.930 12.340 ( 2.033 -5.558 -2.240) 6.328 12.418 ( 9.133 -6.539 16.062) 19.600 12.644 ( -0.384 -3.941 1.875) 4.381 12.891 ( -2.602 -0.815 -2.211) 3.510 13.120 ( -1.255 -3.436 5.480) 6.589 13.345 ( 8.998 5.161 2.486) 10.667 13.589 ( 6.713 2.447 0.140) 7.147 13.988 ( 3.895 0.605 2.709) 4.783 14.075 ( -3.217 6.230 -5.431) 8.868 14.628 ( -12.588 -11.351 0.655) 16.963 14.966 ( -7.757 -0.835 -4.911) 9.219 18.782 ( 7.196 12.249 0.648) 14.221 19.114 ( 1.000 6.204 -0.226) 6.288 19.696 ( 4.192 -3.424 3.145) 6.260 20.176 ( -2.030 -2.329 4.495) 5.454 21.308 ( 3.808 -0.517 -0.999) 3.970 21.774 ( 1.760 9.119 -7.840) 12.154 22.001 ( -15.340 -4.436 2.376) 16.144 23.127 ( -20.385 -8.077 -9.102) 23.742 23.709 ( 4.252 -0.182 -1.584) 4.541 23.779 ( -1.154 0.447 -0.137) 1.245 24.323 ( -1.916 0.018 -2.421) 3.087 24.745 ( -0.153 -6.365 -8.020) 10.240 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -15.714 13.591 13.733) 24.904 1.412 ( -17.864 14.183 16.580) 28.199 1.844 ( -10.944 6.434 -3.553) 13.183 2.000 ( -15.182 10.181 28.167) 33.579 2.419 ( 0.210 7.012 -2.902) 7.592 2.820 ( -9.536 -8.758 2.853) 13.258 2.996 ( -12.442 -1.300 2.824) 12.825 3.064 ( 0.677 -6.255 -1.523) 6.474 3.179 ( 0.003 0.035 2.725) 2.725 3.231 ( -2.402 1.935 1.723) 3.533 3.442 ( 7.297 -3.265 2.276) 8.312 3.522 ( -0.177 -3.518 2.998) 4.625 3.643 ( 2.543 2.506 -2.377) 4.289 3.756 ( -0.454 1.722 -3.759) 4.160 3.827 ( 2.496 2.429 0.593) 3.533 4.014 ( -10.543 2.336 1.156) 10.860 4.041 ( 9.232 3.774 -0.868) 10.011 4.145 ( -2.846 0.913 -4.197) 5.152 4.404 ( 1.478 10.194 -0.453) 10.311 4.688 ( 1.287 0.778 -5.234) 5.445 4.858 ( -4.019 -7.300 -1.210) 8.421 4.988 ( 6.536 -4.209 -9.264) 12.094 5.317 ( -2.391 0.749 2.777) 3.740 5.352 ( 0.147 1.129 3.116) 3.317 5.879 ( -0.196 -3.107 -3.427) 4.630 6.000 ( 0.684 -0.066 -2.085) 2.195 6.027 ( -4.255 0.466 0.720) 4.340 6.129 ( -3.962 -0.509 -1.198) 4.170 6.354 ( 0.204 -2.407 -1.799) 3.012 6.449 ( -0.642 0.740 -1.723) 1.982 6.629 ( -1.012 -0.614 -4.910) 5.050 6.733 ( -3.960 3.274 -1.033) 5.241 7.189 ( -0.407 -0.923 2.361) 2.567 7.473 ( -3.180 -7.426 -3.105) 8.654 7.641 ( -5.038 -13.720 3.383) 15.002 7.704 ( -2.039 -10.783 2.096) 11.173 8.178 ( 1.511 2.765 -2.103) 3.788 8.342 ( -0.289 4.346 -2.618) 5.082 8.567 ( -3.447 1.624 -4.645) 6.008 8.626 ( 0.526 11.095 -2.284) 11.339 9.378 ( -1.138 4.322 3.525) 5.692 9.560 ( -3.930 0.626 3.547) 5.331 9.863 ( -3.630 9.276 -6.955) 12.149 9.940 ( -1.212 7.403 -6.620) 10.005 10.377 ( -0.892 4.280 -0.779) 4.441 10.474 ( 0.672 1.909 -3.079) 3.684 11.043 ( -0.301 -1.294 0.585) 1.452 11.084 ( 5.134 -1.858 -0.950) 5.542 11.987 ( 0.709 0.740 9.297) 9.353 12.353 ( 1.024 -3.663 -3.260) 5.010 12.608 ( -0.254 -10.136 3.159) 10.620 12.689 ( 2.418 -7.794 3.994) 9.086 13.018 ( 15.448 -1.849 8.626) 17.789 13.125 ( 6.979 -7.846 14.858) 18.194 13.608 ( 15.819 2.671 1.418) 16.105 13.664 ( -0.316 1.034 -3.501) 3.664 14.043 ( 2.446 6.680 -1.756) 7.327 14.062 ( 4.183 0.727 1.411) 4.474 14.325 ( -18.566 -7.792 0.883) 20.154 14.742 ( -13.486 0.466 -5.272) 14.488 18.956 ( 9.785 18.438 -3.258) 21.127 19.100 ( -1.320 10.380 -0.104) 10.464 19.857 ( 8.990 -5.106 5.102) 11.529 20.130 ( -0.605 3.232 2.434) 4.091 21.430 ( 9.146 -3.517 -1.640) 9.935 21.741 ( -9.814 -2.752 -0.310) 10.197 21.793 ( 0.929 5.931 -6.258) 8.672 22.581 ( -33.560 -6.244 -9.664) 35.477 23.751 ( -1.816 -0.582 1.261) 2.286 23.768 ( 2.564 0.303 -1.262) 2.873 24.302 ( 0.656 -0.516 -1.952) 2.123 24.601 ( -12.275 -5.113 -6.816) 14.942 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -3.791 18.818 9.194) 21.284 1.765 ( 0.824 20.770 7.100) 21.966 1.909 ( 0.678 9.832 4.475) 10.824 2.211 ( -1.907 10.857 23.879) 26.301 2.471 ( -2.352 -10.916 5.016) 12.242 2.647 ( 3.390 4.660 -2.438) 6.257 2.730 ( -2.444 -4.579 -0.277) 5.198 2.939 ( -0.566 -5.218 3.962) 6.576 3.142 ( -0.505 0.668 -1.524) 1.739 3.352 ( 0.151 4.159 6.467) 7.691 3.448 ( -6.112 2.481 2.098) 6.922 3.492 ( 3.452 -0.380 0.561) 3.518 3.672 ( -11.110 -0.287 0.713) 11.137 3.730 ( -0.881 -1.075 -2.483) 2.846 3.833 ( 0.555 2.877 -1.331) 3.218 4.036 ( 7.435 0.416 1.758) 7.652 4.255 ( 5.924 5.199 -5.823) 9.800 4.345 ( 10.155 3.556 -1.804) 10.910 4.483 ( -6.154 -0.841 -4.411) 7.618 4.561 ( -3.078 -6.113 -0.899) 6.903 4.669 ( 0.637 -2.982 -6.854) 7.501 4.923 ( -0.241 -4.062 -10.720) 11.466 5.368 ( 4.253 0.322 2.379) 4.884 5.408 ( 1.425 1.115 -0.635) 1.918 5.741 ( -3.829 -5.296 -0.114) 6.536 5.882 ( -5.064 -3.844 3.319) 7.172 6.120 ( 7.399 6.923 -5.220) 11.398 6.157 ( -0.217 4.159 -1.976) 4.609 6.386 ( -4.903 0.630 -2.226) 5.421 6.462 ( 11.101 3.148 -1.518) 11.638 6.628 ( -2.556 0.227 -0.955) 2.738 6.688 ( 2.487 -2.734 -1.984) 4.195 7.039 ( -4.747 -4.248 4.656) 7.890 7.293 ( -0.795 -10.269 4.250) 11.142 7.357 ( 1.142 -2.796 -4.061) 5.061 7.584 ( 4.119 -7.241 -2.403) 8.670 8.251 ( 0.125 3.308 -1.418) 3.601 8.386 ( -1.105 1.445 -5.010) 5.330 8.521 ( -3.080 2.436 1.217) 4.111 8.736 ( 0.933 -0.798 -3.322) 3.541 9.494 ( -2.232 6.538 8.093) 10.641 9.642 ( -1.604 7.083 5.989) 9.413 9.987 ( 0.677 7.301 -1.133) 7.420 10.112 ( 1.344 10.389 -10.046) 14.514 10.436 ( -2.411 5.331 -4.040) 7.110 10.524 ( 0.973 1.972 -4.973) 5.437 10.959 ( -3.282 -2.493 4.127) 5.832 11.085 ( 0.679 -3.872 0.314) 3.943 12.044 ( -1.966 3.147 6.050) 7.097 12.314 ( 3.175 -3.603 4.496) 6.579 12.396 ( -0.327 -8.276 2.611) 8.684 12.532 ( -0.828 -9.151 5.003) 10.462 13.037 ( 0.707 -1.846 5.163) 5.528 13.215 ( 6.834 -9.233 8.787) 14.463 13.610 ( -4.082 1.353 0.398) 4.319 13.864 ( 3.213 -3.092 0.821) 4.534 14.020 ( -4.734 0.840 1.920) 5.177 14.066 ( -1.453 0.583 2.407) 2.871 14.272 ( 3.906 2.835 -3.892) 6.200 14.493 ( 1.149 -4.016 -8.592) 9.553 19.208 ( -4.834 10.993 3.354) 12.468 19.579 ( -0.793 10.546 -3.461) 11.128 19.876 ( 3.921 5.141 -2.480) 6.925 20.348 ( 10.828 -2.410 -7.692) 13.499 21.472 ( 1.199 -1.850 -2.623) 3.426 21.587 ( 9.876 -4.244 -5.644) 12.141 21.884 ( -8.523 2.445 0.551) 8.883 21.939 ( -12.196 0.403 -0.206) 12.204 23.725 ( -1.530 1.222 3.458) 3.974 23.809 ( 1.638 -0.479 0.416) 1.757 24.303 ( -3.122 0.068 -0.355) 3.142 24.340 ( -1.946 -0.667 -1.028) 2.300 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 16.029 14.357 7.273) 22.715 1.903 ( 10.123 22.107 9.518) 26.111 2.077 ( 13.869 5.679 3.882) 15.481 2.298 ( 2.615 7.144 22.169) 23.438 2.492 ( 2.860 -10.784 0.442) 11.165 2.705 ( 3.916 9.194 -2.161) 10.225 2.775 ( 5.025 -5.084 0.235) 7.152 2.921 ( -1.763 -2.488 7.848) 8.420 3.176 ( 0.677 0.399 1.447) 1.646 3.306 ( -4.290 -0.016 2.543) 4.987 3.356 ( -3.466 5.331 3.507) 7.261 3.502 ( -3.542 1.476 -0.902) 3.941 3.542 ( 1.507 -0.765 -2.456) 2.982 3.655 ( -4.510 -3.183 1.688) 5.773 3.911 ( 5.040 1.633 -2.336) 5.790 4.106 ( 1.866 3.673 -5.416) 6.805 4.312 ( -3.726 -2.712 1.004) 4.717 4.354 ( 0.639 1.896 -3.836) 4.326 4.462 ( 2.889 1.740 -3.226) 4.667 4.623 ( 6.361 -1.181 -1.332) 6.605 4.703 ( 5.796 3.479 -5.598) 8.777 4.842 ( -3.736 -4.939 -6.360) 8.878 5.441 ( 3.965 1.296 -2.030) 4.639 5.500 ( 6.830 -2.443 0.022) 7.254 5.683 ( -2.100 -6.022 0.607) 6.406 5.815 ( -2.960 -5.605 5.201) 8.199 6.061 ( -4.453 2.587 -5.940) 7.862 6.281 ( -1.745 2.134 1.610) 3.192 6.335 ( 7.514 2.969 -8.393) 11.650 6.497 ( -5.310 0.303 -0.772) 5.374 6.719 ( 10.516 0.784 -4.081) 11.307 6.827 ( 9.541 -0.102 -1.974) 9.743 6.994 ( -1.275 -2.796 4.686) 5.604 7.298 ( 0.606 -5.191 1.097) 5.340 7.422 ( 6.208 -5.702 -1.089) 8.499 7.652 ( 3.426 -6.192 -2.538) 7.518 8.242 ( -0.803 2.486 -0.901) 2.764 8.353 ( -0.670 0.740 -5.211) 5.306 8.510 ( 1.585 2.927 2.017) 3.891 8.746 ( 1.087 -0.621 -3.096) 3.339 9.489 ( -0.919 6.382 8.772) 10.887 9.630 ( -1.263 6.584 6.229) 9.152 10.010 ( 2.538 8.333 -2.366) 9.027 10.135 ( 3.711 11.727 -8.469) 14.934 10.375 ( -2.711 3.739 -2.689) 5.345 10.538 ( 1.796 1.606 -4.589) 5.183 10.896 ( -4.547 -1.457 4.343) 6.454 11.056 ( -3.512 -4.015 0.233) 5.339 12.003 ( -3.866 2.300 5.701) 7.262 12.370 ( -2.497 -8.809 2.531) 9.499 12.398 ( 4.308 -1.396 2.456) 5.152 12.498 ( -4.237 -5.639 5.795) 9.128 13.082 ( 1.690 -3.044 4.744) 5.885 13.194 ( -8.020 -3.930 -0.000) 8.931 13.532 ( -6.880 1.900 5.837) 9.220 13.792 ( -7.313 -4.022 -1.249) 8.439 13.993 ( -5.709 0.450 2.511) 6.253 14.077 ( 8.229 -4.086 0.704) 9.215 14.360 ( 7.491 2.676 -1.478) 8.091 14.661 ( 13.526 -8.049 -8.077) 17.691 19.113 ( -5.446 10.028 1.882) 11.566 19.438 ( -11.596 8.561 -0.303) 14.417 19.884 ( -2.216 6.381 -4.536) 8.137 20.317 ( -10.499 -5.835 -0.885) 12.044 21.583 ( 10.269 1.129 -11.079) 15.148 21.628 ( -6.958 5.326 3.327) 9.373 21.925 ( 23.987 -5.528 -9.714) 26.463 22.005 ( 8.465 -3.886 5.520) 10.827 23.715 ( -0.625 1.880 3.831) 4.313 23.846 ( 2.173 -1.206 -0.125) 2.488 24.196 ( -4.027 5.064 -0.038) 6.470 24.407 ( 5.107 -1.595 0.229) 5.355 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 14.765 10.563 7.165) 19.517 2.140 ( 9.064 16.098 5.982) 19.418 2.315 ( 3.525 5.168 14.915) 16.174 2.388 ( 0.576 7.465 13.258) 15.226 2.590 ( 8.271 -11.010 -0.219) 13.772 2.729 ( -1.318 2.032 -5.585) 6.087 2.902 ( 9.331 -1.787 0.217) 9.503 2.981 ( 3.384 1.281 10.978) 11.559 3.099 ( -5.312 6.627 0.255) 8.497 3.266 ( -0.244 0.178 -1.548) 1.577 3.394 ( 4.885 -1.915 1.879) 5.573 3.522 ( 0.149 -6.976 0.752) 7.018 3.545 ( 4.881 2.352 4.098) 6.793 3.624 ( 0.228 4.578 -1.505) 4.824 3.976 ( 3.572 -1.755 -4.219) 5.800 4.159 ( 6.268 7.633 -7.214) 12.231 4.256 ( -2.362 -1.230 4.787) 5.478 4.399 ( 4.326 -0.650 -3.850) 5.828 4.448 ( -2.016 -0.556 -5.437) 5.825 4.712 ( -0.348 3.018 -4.898) 5.764 4.730 ( 3.511 -1.907 -3.215) 5.129 4.886 ( 7.270 1.599 -0.275) 7.448 5.516 ( 3.592 -0.065 -0.830) 3.687 5.622 ( 6.042 -2.220 -1.667) 6.649 5.680 ( 1.123 -5.054 2.592) 5.790 5.791 ( -1.041 -4.365 1.907) 4.876 5.987 ( -0.804 -1.836 -3.207) 3.782 6.192 ( -4.408 -3.871 -5.870) 8.299 6.361 ( -4.389 2.059 0.103) 4.849 6.493 ( 3.806 4.725 -3.845) 7.183 6.791 ( -1.311 -1.241 -2.035) 2.720 6.953 ( 1.953 0.973 -2.680) 3.456 7.025 ( 3.715 -1.240 2.837) 4.836 7.347 ( 4.505 -3.749 -2.803) 6.496 7.542 ( 4.583 -4.917 0.633) 6.751 7.704 ( 3.312 -4.187 -2.226) 5.784 8.216 ( -1.429 1.888 -0.629) 2.450 8.328 ( -0.389 1.009 -4.005) 4.148 8.580 ( 4.212 2.008 1.426) 4.879 8.757 ( 1.066 -0.228 -2.726) 2.936 9.513 ( 0.486 6.748 9.387) 11.571 9.643 ( 0.631 5.653 6.977) 9.002 10.084 ( 6.205 6.612 -2.989) 9.547 10.172 ( 1.599 13.601 -6.857) 15.315 10.331 ( -0.537 0.377 -1.272) 1.432 10.557 ( 1.479 2.224 -5.081) 5.740 10.815 ( -4.960 -0.163 2.970) 5.784 10.970 ( -4.878 -2.896 -0.204) 5.677 11.942 ( -3.974 1.613 4.984) 6.575 12.317 ( -3.138 -8.893 -0.478) 9.442 12.417 ( -5.450 -1.239 6.808) 8.809 12.503 ( 4.943 -3.302 3.177) 6.740 13.007 ( -9.169 -0.886 -1.762) 9.379 13.113 ( -0.413 -4.951 3.228) 5.925 13.419 ( -5.207 6.391 4.205) 9.255 13.657 ( -5.988 -0.167 0.472) 6.008 13.888 ( -4.988 1.485 1.458) 5.405 14.253 ( 7.900 -4.726 -0.268) 9.210 14.492 ( 5.627 -2.732 0.657) 6.290 14.864 ( 9.435 -9.603 -7.756) 15.537 19.022 ( -4.459 8.115 1.024) 9.315 19.191 ( -12.254 9.592 -0.526) 15.570 19.794 ( -5.503 -1.270 1.544) 5.855 20.101 ( -10.299 -6.060 0.776) 11.975 21.548 ( -3.070 7.710 4.754) 9.564 21.730 ( 8.727 4.785 -11.338) 15.086 22.207 ( 8.831 -7.396 7.848) 13.938 22.422 ( 28.448 -10.026 -15.691) 34.001 23.718 ( -0.535 1.917 3.442) 3.976 23.885 ( 1.772 -1.294 -1.641) 2.740 24.166 ( 0.700 7.057 1.702) 7.293 24.506 ( 4.750 -1.563 -0.369) 5.014 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 4.350 13.394 10.795) 17.744 2.164 ( -4.777 8.797 0.136) 10.011 2.395 ( 0.728 1.751 13.052) 13.189 2.430 ( 1.641 9.858 17.484) 20.139 2.631 ( -0.444 -2.675 -4.744) 5.464 2.802 ( 4.906 -2.459 1.050) 5.587 2.984 ( -0.658 2.541 1.278) 2.920 3.047 ( 2.595 0.550 0.062) 2.653 3.108 ( 4.776 -2.401 5.159) 7.429 3.269 ( 0.254 -1.918 -4.442) 4.845 3.496 ( 2.224 -3.914 0.289) 4.510 3.540 ( 2.353 -5.536 0.223) 6.020 3.642 ( 4.186 4.602 -1.064) 6.312 3.699 ( 5.875 3.981 7.070) 10.017 4.049 ( 4.936 -2.149 -1.863) 5.697 4.234 ( -1.668 -3.655 3.417) 5.275 4.276 ( 5.702 7.680 -4.386) 10.523 4.342 ( -3.601 1.682 -7.604) 8.580 4.516 ( 5.847 3.057 -2.576) 7.083 4.694 ( 1.532 -3.981 -3.335) 5.415 4.800 ( 2.852 2.397 -3.721) 5.265 4.993 ( 3.891 3.167 -3.176) 5.938 5.568 ( 0.696 -0.562 3.907) 4.008 5.661 ( -2.073 -1.885 0.748) 2.900 5.723 ( 2.119 -3.335 -2.507) 4.679 5.819 ( 4.983 -2.963 -2.154) 6.184 6.008 ( 1.894 -4.383 -0.410) 4.792 6.123 ( 0.645 -4.235 -5.892) 7.285 6.274 ( -3.890 2.814 1.493) 5.029 6.506 ( -1.205 2.580 -2.997) 4.134 6.707 ( -5.171 1.069 -1.336) 5.447 6.914 ( -3.837 1.401 -2.638) 4.863 7.127 ( 5.208 -1.331 1.711) 5.641 7.412 ( 2.761 -4.834 -4.738) 7.310 7.566 ( -1.808 -2.454 1.826) 3.553 7.767 ( 3.047 -3.788 -2.851) 5.636 8.194 ( -0.480 1.383 -0.564) 1.569 8.320 ( 0.692 1.508 -2.361) 2.886 8.651 ( 2.584 1.275 1.353) 3.183 8.770 ( 0.783 -0.314 -2.621) 2.753 9.559 ( 0.903 7.835 10.377) 13.034 9.684 ( 0.725 4.442 7.538) 8.779 10.135 ( -1.772 9.457 -4.040) 10.436 10.235 ( 9.273 4.921 -4.426) 11.393 10.346 ( 1.291 0.710 -0.964) 1.761 10.557 ( 0.235 2.518 -6.412) 6.893 10.733 ( -3.736 1.433 2.186) 4.559 10.890 ( -2.778 1.022 -1.703) 3.415 11.888 ( -3.141 1.125 4.945) 5.965 12.252 ( -3.105 -8.735 -1.621) 9.411 12.338 ( -4.529 0.865 6.531) 7.995 12.581 ( 1.397 -5.062 1.115) 5.368 12.888 ( -1.497 1.567 0.084) 2.169 13.088 ( -2.905 -5.553 2.126) 6.618 13.372 ( -0.991 5.964 3.479) 6.975 13.552 ( -5.738 0.590 1.122) 5.876 13.837 ( -0.744 3.278 3.341) 4.740 14.353 ( 3.126 1.631 -3.996) 5.329 14.572 ( 2.185 -9.302 2.968) 10.006 14.973 ( 4.610 -8.316 -7.484) 12.100 18.922 ( -6.746 8.030 3.102) 10.937 19.041 ( -1.904 6.141 -3.171) 7.169 19.701 ( -5.518 -6.011 6.106) 10.191 19.953 ( -4.473 -7.907 -1.393) 9.190 21.513 ( -2.568 9.751 4.810) 11.172 21.857 ( 7.876 8.391 -10.687) 15.705 22.343 ( 2.003 -8.568 8.647) 12.336 22.858 ( 21.181 -13.402 -15.211) 29.319 23.708 ( -1.642 1.958 3.170) 4.072 23.893 ( -0.091 0.316 -3.444) 3.460 24.228 ( 4.359 5.173 3.926) 7.821 24.576 ( 2.836 -1.120 -2.252) 3.791 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -7.906 16.032 10.087) 20.525 2.076 ( -8.558 7.159 9.834) 14.873 2.454 ( 0.528 3.501 1.019) 3.685 2.514 ( 1.511 10.832 10.584) 15.220 2.683 ( 6.602 -1.399 2.200) 7.098 2.809 ( -0.403 1.549 4.976) 5.227 3.014 ( -0.685 -2.493 1.780) 3.139 3.106 ( 4.082 -4.215 0.384) 5.880 3.182 ( 1.024 -6.551 4.636) 8.090 3.252 ( -0.276 -5.509 -4.917) 7.390 3.466 ( -1.747 0.253 -2.281) 2.884 3.595 ( 1.810 -2.661 3.371) 4.661 3.718 ( -4.963 5.035 4.716) 8.498 3.753 ( 3.402 1.217 -1.555) 3.934 4.126 ( 1.881 0.756 0.190) 2.036 4.185 ( -3.063 -4.491 3.463) 6.446 4.247 ( -2.729 3.619 -9.035) 10.108 4.370 ( 3.910 1.622 -4.331) 6.056 4.589 ( 2.050 6.206 -0.052) 6.536 4.711 ( -1.619 -1.704 -5.168) 5.677 4.805 ( 0.079 -0.164 -2.400) 2.407 5.011 ( -0.967 2.744 -5.177) 5.939 5.534 ( -5.090 -0.834 4.509) 6.851 5.606 ( -3.680 1.079 0.030) 3.835 5.736 ( 0.876 -2.674 -2.542) 3.792 5.914 ( 4.703 -3.230 -3.512) 6.699 6.020 ( -0.256 -4.987 -1.459) 5.202 6.187 ( 4.967 -3.612 -3.411) 7.026 6.255 ( 2.311 2.812 2.917) 4.664 6.463 ( -1.970 2.219 -2.344) 3.781 6.644 ( 0.356 1.493 -1.087) 1.881 6.823 ( -4.292 1.222 -3.139) 5.456 7.216 ( 3.489 -1.229 1.449) 3.973 7.423 ( 0.049 -4.847 -5.262) 7.154 7.519 ( -3.174 -3.072 2.850) 5.257 7.779 ( -0.819 -5.173 -3.283) 6.181 8.201 ( 1.338 2.511 -0.803) 2.956 8.339 ( 1.897 2.617 -1.739) 3.670 8.693 ( 1.319 0.308 1.586) 2.085 8.759 ( -1.132 -0.189 -2.518) 2.767 9.599 ( -0.396 9.205 11.040) 14.379 9.701 ( -1.381 3.646 7.258) 8.239 10.095 ( -0.705 7.349 -3.958) 8.377 10.319 ( -4.411 0.350 -1.026) 4.543 10.400 ( 8.362 1.283 -4.032) 9.371 10.540 ( 0.528 1.938 -6.335) 6.646 10.716 ( 1.192 5.727 1.208) 5.973 10.865 ( 1.643 3.179 -3.117) 4.746 11.853 ( -2.167 0.562 5.845) 6.259 12.194 ( -2.191 -8.132 -1.581) 8.569 12.289 ( -2.633 1.132 6.142) 6.778 12.570 ( -1.338 -5.139 -0.629) 5.348 12.937 ( 3.789 0.775 3.187) 5.012 13.026 ( -3.180 -3.235 0.666) 4.585 13.383 ( -0.321 3.011 3.851) 4.899 13.459 ( -2.483 0.440 -0.042) 2.522 13.871 ( 2.419 4.524 5.578) 7.578 14.359 ( -0.350 6.153 -6.819) 9.191 14.592 ( -1.347 -12.108 4.339) 12.932 15.005 ( 1.197 -7.529 -7.330) 10.576 18.840 ( -1.837 8.279 2.803) 8.931 19.058 ( 4.026 4.024 -3.745) 6.814 19.619 ( -4.860 -5.938 7.522) 10.745 19.928 ( 1.970 -9.994 -1.667) 10.322 21.467 ( -3.762 10.014 3.932) 11.398 21.956 ( 5.463 10.364 -10.095) 15.465 22.322 ( -6.855 -7.891 7.961) 13.139 23.122 ( 10.293 -16.363 -13.399) 23.520 23.677 ( -2.153 3.474 3.403) 5.318 23.869 ( -1.095 1.604 -3.243) 3.780 24.327 ( 3.776 2.047 4.232) 6.030 24.605 ( 1.493 -1.382 -4.206) 4.673 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -6.809 14.458 11.303) 19.574 1.939 ( -8.296 11.571 13.264) 19.458 2.389 ( -5.266 8.709 -2.570) 10.496 2.534 ( -1.997 9.743 7.739) 12.602 2.804 ( 0.565 -2.773 6.962) 7.515 2.889 ( 4.730 -1.979 4.892) 7.087 2.959 ( -4.918 -7.104 -1.483) 8.766 3.125 ( -1.536 -3.929 1.986) 4.663 3.184 ( -1.478 -5.329 4.056) 6.859 3.246 ( 0.004 -7.360 -1.734) 7.562 3.460 ( 1.156 -0.328 -6.365) 6.477 3.512 ( -11.445 7.381 7.852) 15.720 3.623 ( -3.208 -0.258 5.215) 6.128 3.806 ( 3.176 2.979 -2.272) 4.912 4.068 ( -6.235 1.496 4.542) 7.858 4.149 ( -4.795 3.423 -11.418) 12.848 4.181 ( 0.315 0.693 -3.181) 3.271 4.419 ( 2.590 -3.799 -2.489) 5.228 4.562 ( -9.573 0.358 -7.820) 12.366 4.612 ( 0.740 6.933 1.112) 7.061 4.807 ( -0.688 -4.702 -1.701) 5.047 4.921 ( -5.719 2.140 -2.984) 6.796 5.445 ( -4.574 -0.213 2.792) 5.363 5.522 ( -4.725 1.460 0.557) 4.977 5.778 ( 3.757 -1.142 -1.636) 4.254 5.957 ( 0.304 -3.649 -1.982) 4.163 6.002 ( 0.872 -1.948 -3.304) 3.934 6.266 ( 4.064 -0.996 1.187) 4.349 6.323 ( 1.122 -3.195 -2.520) 4.221 6.416 ( -2.053 1.737 -2.942) 3.986 6.706 ( 4.341 0.598 -0.027) 4.382 6.757 ( -0.461 2.447 -2.602) 3.601 7.264 ( 0.597 -0.969 1.129) 1.603 7.385 ( -1.741 -3.687 -5.701) 7.009 7.476 ( -2.366 -7.041 3.707) 8.302 7.719 ( -4.567 -7.146 -2.095) 8.736 8.226 ( 1.468 4.407 -2.079) 5.089 8.382 ( 2.925 3.356 -2.074) 4.911 8.702 ( -1.107 1.458 0.393) 1.872 8.727 ( -0.722 -0.865 -1.548) 1.915 9.602 ( -2.563 9.912 9.537) 13.992 9.685 ( -2.341 3.792 7.170) 8.442 10.086 ( 0.707 5.380 -3.450) 6.430 10.200 ( -6.346 2.034 -2.133) 6.997 10.503 ( 2.684 1.655 -4.145) 5.208 10.543 ( 2.168 2.992 -6.787) 7.728 10.765 ( 3.927 3.477 2.469) 5.797 10.940 ( 5.999 1.906 -4.028) 7.473 11.847 ( -0.185 -0.117 7.722) 7.726 12.168 ( 0.172 -8.256 -1.530) 8.399 12.271 ( -1.540 -0.108 8.102) 8.248 12.547 ( -1.145 -5.872 0.478) 6.002 12.935 ( -2.558 0.042 -0.266) 2.572 13.050 ( 2.694 -1.165 2.988) 4.188 13.363 ( -0.186 3.297 2.793) 4.325 13.501 ( 4.971 0.431 1.323) 5.162 13.945 ( 3.121 3.863 5.715) 7.571 14.309 ( -2.401 7.499 -7.971) 11.204 14.543 ( -5.315 -11.189 4.700) 13.249 14.973 ( -2.397 -7.825 -7.258) 10.939 18.883 ( 5.778 10.222 1.386) 11.824 19.159 ( 7.210 4.989 -3.078) 9.292 19.576 ( -1.541 -4.102 6.935) 8.203 19.994 ( 4.581 -10.040 -0.460) 11.045 21.397 ( -4.168 8.116 2.383) 9.430 21.996 ( 1.283 7.861 -8.459) 11.618 22.146 ( -12.380 -3.649 4.758) 13.756 23.140 ( -4.779 -17.137 -11.551) 21.212 23.675 ( 1.300 4.077 2.780) 5.103 23.835 ( -1.660 1.500 -1.644) 2.777 24.369 ( -0.544 1.110 1.742) 2.136 24.619 ( 1.155 -4.140 -4.004) 5.874 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -8.609 10.344 18.877) 23.183 1.821 ( -7.363 18.589 8.819) 21.852 2.254 ( -8.338 11.011 -3.771) 14.317 2.518 ( -2.478 9.781 6.370) 11.933 2.607 ( -19.695 -1.432 10.208) 22.229 2.818 ( -12.025 -9.896 3.860) 16.045 2.905 ( 0.018 -7.683 -3.326) 8.372 3.151 ( -10.114 -7.710 -0.006) 12.717 3.195 ( 4.305 4.789 2.215) 6.810 3.216 ( 4.901 -0.937 6.389) 8.106 3.357 ( -4.151 3.210 2.659) 5.883 3.495 ( 0.624 1.516 0.025) 1.640 3.573 ( -0.183 2.068 3.763) 4.297 3.872 ( 2.342 2.041 -2.034) 3.714 3.986 ( -2.934 1.911 2.273) 4.175 4.001 ( -4.890 3.583 -8.450) 10.399 4.161 ( -0.112 3.797 -3.528) 5.184 4.319 ( -10.994 -3.008 -9.304) 14.713 4.486 ( 2.505 -2.949 -0.673) 3.927 4.641 ( 2.443 2.820 -0.796) 3.815 4.733 ( -3.455 -3.806 -3.194) 6.052 4.876 ( 0.964 -1.284 -2.534) 3.000 5.384 ( -2.631 0.419 1.712) 3.167 5.432 ( -4.670 1.827 1.472) 5.226 5.824 ( 0.922 -1.104 -2.357) 2.761 5.969 ( 2.499 -1.037 -1.832) 3.268 6.039 ( 3.201 -0.663 -1.494) 3.594 6.230 ( -8.326 -2.514 -2.963) 9.188 6.330 ( 0.650 -1.783 0.515) 1.966 6.388 ( 2.044 -2.036 -4.512) 5.356 6.736 ( -1.877 2.058 -1.577) 3.201 6.791 ( 2.278 2.387 -0.127) 3.302 7.228 ( -4.171 -0.636 0.731) 4.282 7.344 ( -1.660 -7.505 -1.619) 7.855 7.446 ( -1.543 -8.176 0.988) 8.378 7.599 ( -6.600 -7.177 -1.023) 9.804 8.242 ( 0.963 5.019 -2.620) 5.742 8.420 ( 1.519 3.122 -3.374) 4.841 8.666 ( -2.341 1.314 -0.964) 2.852 8.722 ( 0.312 -0.252 -0.987) 1.066 9.568 ( -3.422 8.986 7.296) 12.070 9.661 ( -2.156 5.488 7.115) 9.241 10.059 ( -3.896 1.564 -0.946) 4.303 10.125 ( 0.869 7.813 -5.836) 9.790 10.501 ( -0.224 3.628 -4.486) 5.774 10.559 ( 0.884 4.238 -6.528) 7.833 10.889 ( 7.317 -1.802 2.508) 7.942 11.013 ( 1.964 -0.927 -3.475) 4.098 11.911 ( 4.269 0.046 9.183) 10.127 12.192 ( 2.583 -7.999 -1.837) 8.604 12.280 ( -0.475 -4.249 13.020) 13.704 12.527 ( -1.161 -6.834 1.965) 7.205 12.913 ( 1.036 2.293 -0.359) 2.542 13.067 ( -1.653 -1.926 3.435) 4.271 13.450 ( 8.404 4.720 2.455) 9.947 13.617 ( 5.919 0.218 1.006) 6.008 14.013 ( 2.203 1.986 4.090) 5.052 14.228 ( -3.279 6.692 -7.091) 10.287 14.416 ( -9.291 -7.420 4.489) 12.709 14.861 ( -7.121 -8.111 -7.357) 13.062 19.069 ( 12.836 13.118 -0.894) 18.375 19.288 ( 6.288 9.618 -1.558) 11.596 19.618 ( 4.251 -3.266 5.798) 7.896 20.079 ( 3.846 -7.050 0.160) 8.032 21.343 ( -1.147 4.125 0.234) 4.288 21.864 ( -13.113 -8.281 1.731) 15.605 22.004 ( -1.741 12.215 -7.355) 14.365 22.887 ( -17.628 -13.759 -9.833) 24.429 23.724 ( 2.451 1.724 1.753) 3.472 23.796 ( -2.085 1.014 0.090) 2.321 24.335 ( -2.373 1.214 -0.901) 2.814 24.600 ( -2.683 -6.804 -2.999) 7.905 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -19.314 14.794 10.282) 26.412 1.775 ( -3.628 17.383 14.430) 22.881 2.036 ( -11.792 11.073 -3.445) 16.539 2.276 ( -13.268 13.140 19.214) 26.793 2.530 ( -2.791 -2.343 6.786) 7.702 2.627 ( -4.441 -5.780 0.031) 7.289 2.880 ( -7.874 -7.073 -7.023) 12.702 2.931 ( -4.113 -6.834 6.707) 10.422 3.203 ( -3.309 4.148 -1.114) 5.422 3.310 ( 1.256 3.923 5.182) 6.620 3.386 ( 6.307 -1.307 3.595) 7.377 3.502 ( -0.581 2.530 4.590) 5.273 3.688 ( 8.581 2.030 0.516) 8.833 3.792 ( -5.763 2.270 -1.001) 6.275 3.887 ( -3.267 2.333 -4.423) 5.973 4.044 ( -10.100 -0.784 -2.591) 10.456 4.115 ( 8.976 2.003 -1.698) 9.352 4.205 ( 4.243 3.499 -5.827) 8.012 4.516 ( 0.585 -1.206 -0.529) 1.441 4.665 ( -1.405 -9.960 -2.984) 10.491 4.692 ( -0.969 1.000 -4.722) 4.923 4.905 ( 3.783 -3.071 -8.691) 9.964 5.338 ( -1.981 1.129 1.921) 2.981 5.391 ( 0.022 2.340 1.862) 2.991 5.812 ( -1.830 -2.059 -2.085) 3.455 5.966 ( -3.771 -1.695 0.514) 4.166 6.065 ( -1.803 1.543 -3.477) 4.210 6.135 ( 3.413 1.059 -1.463) 3.862 6.328 ( 1.906 0.108 -2.532) 3.171 6.452 ( 2.972 -1.301 -0.407) 3.270 6.632 ( -5.641 1.358 -2.840) 6.460 6.782 ( -3.912 0.864 -0.937) 4.114 7.132 ( -5.960 -3.539 3.476) 7.755 7.312 ( -1.787 -9.528 3.039) 10.160 7.393 ( -3.462 -6.047 -3.146) 7.645 7.532 ( 0.984 -6.612 -1.618) 6.878 8.249 ( 0.587 4.355 -2.153) 4.893 8.417 ( -0.412 2.518 -4.358) 5.050 8.599 ( -4.328 1.199 -0.211) 4.496 8.729 ( 0.815 -0.420 -2.527) 2.688 9.524 ( -3.210 7.387 7.170) 10.784 9.650 ( -1.269 7.123 6.392) 9.654 9.997 ( -1.672 4.494 -1.034) 4.905 10.126 ( 0.788 8.630 -8.303) 12.002 10.480 ( -0.694 4.386 -4.637) 6.420 10.539 ( -0.565 3.965 -5.947) 7.170 11.000 ( -1.703 -2.671 1.175) 3.379 11.024 ( 5.159 -3.583 0.536) 6.305 12.022 ( 2.913 2.680 6.654) 7.743 12.244 ( 2.906 -5.979 1.971) 6.933 12.348 ( 2.869 -10.383 10.984) 15.385 12.521 ( -0.240 -8.563 3.574) 9.282 13.001 ( 7.726 0.037 4.405) 8.894 13.039 ( -1.464 -1.762 5.665) 6.111 13.655 ( 7.769 1.743 -1.370) 8.079 13.696 ( 4.398 1.900 1.342) 4.975 14.059 ( 1.397 -0.091 3.424) 3.699 14.156 ( -3.687 0.134 -2.596) 4.511 14.243 ( -6.589 2.487 0.849) 7.094 14.661 ( -10.715 -6.786 -7.759) 14.868 19.246 ( 1.471 10.784 3.032) 11.298 19.449 ( 13.622 17.269 -8.657) 23.637 19.761 ( 7.233 -3.219 6.639) 10.332 20.156 ( 6.414 -1.265 -3.040) 7.210 21.380 ( 5.491 -0.779 -1.834) 5.842 21.639 ( -9.445 -6.103 -0.895) 11.281 21.944 ( -2.512 7.541 -5.220) 9.509 22.426 ( -26.769 -7.787 -6.619) 28.654 23.750 ( -1.625 0.564 2.466) 3.007 23.778 ( 1.297 0.521 0.564) 1.507 24.299 ( -0.511 0.421 -1.326) 1.482 24.489 ( -7.733 -5.165 -2.173) 9.550 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -2.732 18.535 5.819) 19.618 2.031 ( -0.912 -4.956 -0.984) 5.135 2.176 ( 2.526 15.018 12.913) 19.967 2.214 ( -3.658 1.976 5.097) 6.578 2.363 ( -4.809 -4.273 9.271) 11.285 2.472 ( 4.522 -12.685 1.441) 13.544 2.803 ( 2.122 4.038 7.056) 8.402 2.866 ( 3.621 -2.261 4.115) 5.929 3.245 ( -5.569 8.627 0.948) 10.312 3.397 ( -5.086 -3.004 9.224) 10.953 3.495 ( 3.780 3.939 2.810) 6.140 3.547 ( -1.114 3.269 -1.316) 3.696 3.667 ( -11.287 -0.495 -0.624) 11.315 3.676 ( -6.200 -3.456 -2.224) 7.438 3.915 ( 2.711 4.802 -2.102) 5.901 4.015 ( 4.916 -3.375 0.527) 5.986 4.268 ( 5.561 0.141 -3.944) 6.819 4.329 ( 4.482 -4.418 -4.984) 8.028 4.461 ( 3.253 -1.115 -1.989) 3.972 4.498 ( 6.833 -2.450 -1.089) 7.340 4.672 ( -2.784 6.568 -8.706) 11.255 4.826 ( -0.980 -6.080 -10.589) 12.250 5.378 ( 2.802 1.035 -0.229) 2.996 5.410 ( 1.750 -1.475 -1.688) 2.844 5.705 ( -7.195 2.326 2.739) 8.042 5.791 ( -7.264 -4.715 2.596) 9.041 6.246 ( 3.641 3.780 -3.497) 6.307 6.264 ( 8.559 3.958 -7.758) 12.211 6.413 ( -5.984 3.769 1.009) 7.144 6.519 ( 11.184 -0.102 -2.088) 11.378 6.591 ( -6.237 -3.865 -0.140) 7.339 6.610 ( 4.673 -2.059 -1.083) 5.220 7.006 ( -3.223 1.300 4.001) 5.300 7.095 ( -1.067 -7.075 3.625) 8.021 7.358 ( 2.646 2.059 -4.716) 5.786 7.443 ( 3.904 -5.748 -3.981) 8.008 8.330 ( -1.255 3.669 -1.631) 4.207 8.386 ( -2.141 -1.405 -3.454) 4.300 8.584 ( -1.283 3.570 0.822) 3.881 8.670 ( 0.272 -4.286 -1.493) 4.547 9.623 ( -2.384 5.444 8.832) 10.645 9.704 ( -2.357 -1.414 7.635) 8.115 10.155 ( 1.145 7.942 -1.339) 8.135 10.246 ( 1.665 0.813 -5.703) 5.997 10.543 ( -0.284 3.789 -6.373) 7.420 10.565 ( 0.322 1.476 -6.511) 6.684 10.924 ( -2.345 0.084 3.949) 4.594 10.985 ( -0.443 -4.961 2.024) 5.376 12.134 ( -2.819 5.155 3.745) 6.967 12.231 ( -1.148 -3.730 9.102) 9.903 12.284 ( 5.115 -1.968 2.144) 5.885 12.345 ( 2.120 -7.330 6.201) 9.833 13.033 ( 1.023 1.387 4.184) 4.525 13.088 ( 3.442 -3.864 4.904) 7.130 13.670 ( -4.259 4.045 -1.840) 6.155 13.771 ( -2.457 -5.176 -1.424) 5.904 14.046 ( -2.282 1.351 3.146) 4.115 14.067 ( -1.504 -0.545 3.140) 3.524 14.338 ( 3.320 3.314 -5.079) 6.913 14.410 ( 2.069 -3.620 -6.775) 7.955 19.428 ( -5.140 9.329 5.905) 12.179 19.587 ( -5.109 -5.352 6.848) 10.082 20.088 ( 7.984 10.692 -11.164) 17.398 20.263 ( 7.182 -5.905 -9.329) 13.171 21.459 ( 5.776 0.732 -4.560) 7.395 21.503 ( 8.973 -3.334 -5.729) 11.156 21.923 ( -10.335 1.310 0.772) 10.446 21.941 ( -10.102 -0.355 0.552) 10.123 23.759 ( -0.573 1.780 3.218) 3.722 23.792 ( 0.488 -1.208 2.032) 2.414 24.306 ( -0.426 0.407 -0.816) 1.006 24.321 ( -1.313 -0.954 -1.075) 1.946 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 9.820 15.875 4.718) 19.254 2.136 ( 8.459 -12.553 2.282) 15.308 2.243 ( 4.586 7.150 10.070) 13.174 2.323 ( 10.818 13.878 2.900) 17.834 2.394 ( 4.023 -2.838 11.123) 12.164 2.615 ( 8.761 -10.695 0.475) 13.834 2.882 ( 2.526 6.797 3.123) 7.895 2.949 ( 1.076 2.225 13.443) 13.668 3.178 ( 0.566 3.266 -2.171) 3.962 3.292 ( -5.059 -2.697 3.175) 6.554 3.415 ( -10.771 0.048 1.793) 10.920 3.473 ( -8.182 -4.725 0.942) 9.495 3.578 ( 2.814 5.532 1.311) 6.344 3.648 ( 3.280 -0.181 -0.064) 3.286 3.976 ( 2.789 5.036 -4.613) 7.377 4.101 ( 4.703 -4.501 -3.534) 7.408 4.246 ( -3.110 -1.141 -1.502) 3.637 4.297 ( -0.838 -4.516 -2.885) 5.424 4.570 ( -2.288 6.330 -6.666) 9.473 4.651 ( 8.603 1.892 -2.023) 9.038 4.709 ( 8.949 -1.312 -3.013) 9.533 4.772 ( 2.501 -3.081 -8.605) 9.476 5.458 ( 3.820 0.021 -1.973) 4.300 5.461 ( 5.262 -0.802 -1.728) 5.596 5.615 ( -2.756 0.530 3.214) 4.267 5.690 ( -3.794 -5.581 4.837) 8.303 6.143 ( -8.369 4.801 -5.450) 11.081 6.240 ( -7.796 -3.887 -4.884) 9.987 6.449 ( 5.744 4.814 -2.369) 7.860 6.502 ( 0.414 -0.472 -2.668) 2.741 6.726 ( 7.340 1.412 -0.607) 7.499 6.792 ( 9.877 -3.651 0.219) 10.532 7.001 ( 1.632 3.512 2.943) 4.864 7.125 ( 2.717 -7.962 2.795) 8.865 7.427 ( 6.234 3.311 -4.549) 8.397 7.525 ( 5.696 -5.660 -4.284) 9.101 8.300 ( -1.377 2.670 -1.131) 3.210 8.343 ( -1.159 -1.311 -3.316) 3.750 8.587 ( 1.328 4.212 1.130) 4.558 8.682 ( 1.331 -4.423 -1.076) 4.743 9.620 ( -0.767 5.408 8.924) 10.463 9.693 ( -1.094 -0.845 7.455) 7.582 10.167 ( 0.805 7.030 -0.569) 7.098 10.270 ( 2.353 -0.873 -4.305) 4.983 10.503 ( -1.468 7.394 -6.823) 10.168 10.575 ( 2.241 0.965 -6.629) 7.064 10.877 ( -3.581 0.431 3.928) 5.333 10.948 ( -3.531 -5.567 1.822) 6.840 12.073 ( -4.256 4.429 3.562) 7.100 12.194 ( -3.573 -7.125 3.061) 8.539 12.373 ( 3.285 -0.561 4.297) 5.438 12.399 ( 0.480 -3.266 6.812) 7.570 13.058 ( -0.578 1.027 3.019) 3.241 13.112 ( -3.033 -3.594 1.820) 5.043 13.593 ( -3.294 3.783 2.470) 5.592 13.689 ( -3.691 -5.202 0.240) 6.383 14.002 ( -3.723 0.640 2.349) 4.449 14.023 ( -1.319 -1.393 1.074) 2.198 14.438 ( 7.498 4.160 -4.102) 9.505 14.532 ( 9.943 -4.886 -6.430) 12.810 19.318 ( -7.265 8.874 3.888) 12.109 19.463 ( -8.927 -4.189 4.388) 10.794 20.055 ( -7.936 8.115 -7.289) 13.490 20.199 ( -9.941 -5.765 -4.772) 12.443 21.638 ( 12.914 4.088 -9.879) 16.765 21.714 ( 5.165 0.101 -3.287) 6.123 21.830 ( 11.623 -0.600 -2.437) 11.891 21.908 ( 3.648 -5.067 4.870) 7.918 23.765 ( 0.009 2.504 3.122) 4.002 23.813 ( 1.035 -1.942 1.882) 2.896 24.288 ( 0.365 3.780 -0.954) 3.915 24.359 ( 3.737 -2.919 -0.489) 4.767 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 11.246 10.879 3.263) 15.983 2.277 ( 6.034 -9.564 4.785) 12.279 2.416 ( 5.710 4.119 11.911) 13.836 2.490 ( 1.341 0.766 11.326) 11.431 2.560 ( 8.466 11.589 4.346) 14.996 2.736 ( 2.583 -3.244 -2.100) 4.648 2.929 ( 5.369 5.331 4.003) 8.560 2.997 ( 0.813 0.454 9.311) 9.357 3.182 ( -4.420 1.088 -2.365) 5.130 3.240 ( -1.393 -3.482 -2.898) 4.740 3.331 ( 3.767 -2.226 -0.352) 4.390 3.366 ( -1.091 -4.517 2.474) 5.264 3.661 ( 5.353 5.608 4.637) 9.034 3.715 ( 2.840 1.598 0.622) 3.317 3.968 ( -0.242 2.748 -3.986) 4.848 4.110 ( -2.474 -9.145 -1.415) 9.578 4.291 ( 7.688 3.882 -3.852) 9.435 4.359 ( 6.681 -2.728 -4.693) 8.608 4.504 ( -0.697 5.585 -6.994) 8.977 4.626 ( -1.990 -5.223 -6.645) 8.683 4.860 ( 5.659 6.098 -1.079) 8.389 4.924 ( 8.568 0.386 -0.710) 8.606 5.516 ( 2.479 0.188 0.208) 2.495 5.549 ( 3.151 -3.508 0.728) 4.771 5.629 ( 3.591 0.529 0.131) 3.632 5.689 ( 2.236 -4.653 1.854) 5.485 5.989 ( -5.194 2.435 -3.897) 6.935 6.078 ( -6.249 -5.502 -4.774) 9.598 6.454 ( -2.448 5.150 -1.223) 5.832 6.536 ( 0.725 -1.565 -3.930) 4.292 6.804 ( 0.990 3.329 -0.083) 3.474 6.901 ( 1.859 -4.665 0.102) 5.022 7.068 ( 3.825 4.467 1.185) 5.999 7.198 ( 3.877 -7.638 0.862) 8.609 7.548 ( 6.213 2.896 -3.760) 7.818 7.621 ( 5.288 -3.785 -4.364) 7.831 8.270 ( -1.318 2.819 -1.058) 3.287 8.319 ( -0.380 -1.569 -3.237) 3.618 8.636 ( 2.859 3.250 1.634) 4.627 8.710 ( 1.682 -3.474 -0.301) 3.872 9.649 ( 0.974 5.395 9.054) 10.585 9.712 ( 0.580 0.056 7.920) 7.942 10.193 ( 1.939 5.030 0.771) 5.446 10.297 ( 0.612 -3.766 -0.841) 3.907 10.451 ( -1.247 11.047 -7.380) 13.344 10.592 ( 1.236 -1.195 -8.087) 8.268 10.821 ( -2.801 1.692 2.231) 3.960 10.894 ( -1.598 -4.092 0.272) 4.401 12.002 ( -3.873 4.309 2.311) 6.238 12.130 ( -3.445 -7.804 0.502) 8.545 12.404 ( -1.550 0.395 5.795) 6.012 12.440 ( 2.006 -2.738 4.350) 5.518 13.000 ( -5.319 0.750 -0.682) 5.415 13.038 ( -3.175 -2.579 0.837) 4.176 13.545 ( -3.370 5.200 4.215) 7.494 13.628 ( -4.069 -2.604 2.663) 5.516 13.940 ( -2.066 3.887 2.504) 5.065 14.071 ( 4.531 -8.688 3.261) 10.327 14.555 ( 5.470 5.755 -4.674) 9.213 14.692 ( 8.176 -7.155 -6.908) 12.874 19.190 ( -6.682 7.179 1.735) 9.960 19.288 ( -9.673 -0.912 1.095) 9.777 19.824 ( -12.216 4.640 0.074) 13.068 19.959 ( -12.280 -7.162 -1.335) 14.279 21.726 ( 0.307 8.414 5.019) 9.802 21.828 ( 8.265 1.613 -4.908) 9.747 22.080 ( 11.689 -1.727 -0.258) 11.818 22.201 ( 22.532 -10.122 -12.444) 27.659 23.773 ( -0.148 3.146 2.828) 4.232 23.839 ( 0.989 -2.819 1.638) 3.407 24.316 ( 2.539 6.730 -0.448) 7.207 24.439 ( 4.356 -4.687 -0.728) 6.440 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 6.023 7.387 2.699) 9.906 2.370 ( -4.838 -1.087 8.564) 9.896 2.438 ( 1.223 3.749 9.403) 10.197 2.512 ( 0.647 -2.455 5.044) 5.647 2.677 ( 2.538 10.740 10.314) 15.105 2.803 ( 4.029 -0.336 3.806) 5.553 3.022 ( -0.842 0.805 1.491) 1.892 3.040 ( 1.697 -0.726 1.840) 2.606 3.093 ( -1.885 1.526 0.557) 2.488 3.191 ( -2.855 -5.756 -3.398) 7.269 3.420 ( 4.892 -1.468 -1.713) 5.387 3.441 ( 6.287 -3.007 0.895) 7.026 3.746 ( 0.888 4.588 -0.967) 4.773 3.786 ( 3.922 2.031 4.419) 6.248 4.008 ( 4.841 -0.959 0.275) 4.942 4.070 ( -1.031 -7.687 1.881) 7.981 4.380 ( 1.013 2.295 -8.416) 8.782 4.390 ( 0.607 1.288 -10.762) 10.856 4.579 ( 7.713 3.151 -3.401) 9.000 4.637 ( 4.830 -2.174 -3.222) 6.200 4.929 ( 1.754 7.668 -0.001) 7.866 5.032 ( 3.010 -0.919 -1.224) 3.377 5.554 ( 0.332 -0.134 2.986) 3.007 5.596 ( 1.673 -3.792 1.374) 4.366 5.692 ( 1.806 1.184 -2.851) 3.576 5.754 ( 4.194 -3.557 -2.001) 5.852 5.941 ( 0.662 -0.096 -2.035) 2.143 6.007 ( 0.748 -5.363 -3.234) 6.307 6.384 ( -3.744 5.898 1.009) 7.059 6.491 ( -3.580 -3.640 -0.347) 5.118 6.780 ( -2.432 5.121 -2.976) 6.403 6.884 ( -2.792 -3.964 -3.075) 5.741 7.144 ( 3.580 3.322 1.657) 5.157 7.258 ( 1.920 -7.154 0.246) 7.411 7.602 ( 0.512 3.568 -2.965) 4.667 7.684 ( 2.117 -4.016 -4.601) 6.464 8.255 ( 0.450 3.608 -0.757) 3.714 8.316 ( 1.367 -1.780 -2.636) 3.462 8.685 ( 1.315 2.116 2.071) 3.240 8.736 ( 0.774 -2.455 0.253) 2.586 9.706 ( 1.695 5.328 9.712) 11.206 9.754 ( 0.712 1.083 8.787) 8.882 10.234 ( 0.632 1.555 1.485) 2.241 10.272 ( -1.991 -1.290 1.214) 2.665 10.437 ( 1.828 7.323 -6.772) 10.141 10.563 ( -1.096 -3.348 -7.623) 8.398 10.810 ( 1.604 5.259 -1.280) 5.645 10.890 ( 1.039 -1.653 -2.628) 3.274 11.943 ( -2.881 4.276 1.616) 5.404 12.070 ( -2.697 -7.646 -0.866) 8.154 12.380 ( -2.451 2.982 4.888) 6.228 12.468 ( -0.365 -5.201 2.575) 5.815 12.930 ( -1.100 2.468 0.446) 2.739 12.993 ( -1.746 -3.608 1.333) 4.224 13.482 ( -3.844 4.060 2.621) 6.175 13.540 ( -5.483 -1.609 1.842) 6.003 13.952 ( 1.631 7.997 5.346) 9.757 14.173 ( 4.061 -12.468 5.110) 14.073 14.613 ( 2.235 7.723 -5.774) 9.899 14.791 ( 4.384 -8.782 -7.411) 12.300 19.076 ( -5.601 5.942 1.057) 8.233 19.135 ( -4.905 1.228 -1.566) 5.293 19.643 ( -7.197 1.610 4.313) 8.543 19.766 ( -6.896 -8.714 0.363) 11.118 21.740 ( -0.985 11.179 5.510) 12.502 21.939 ( 3.701 -4.882 0.733) 6.170 22.281 ( 9.297 7.056 -5.558) 12.928 22.547 ( 16.815 -15.116 -13.054) 26.108 23.775 ( -0.610 3.969 2.855) 4.927 23.856 ( 0.261 -3.269 1.162) 3.479 24.371 ( 2.878 7.312 0.251) 7.862 24.507 ( 2.882 -5.184 -1.554) 6.132 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -7.370 6.215 10.174) 14.016 2.253 ( -6.512 5.284 7.946) 11.553 2.526 ( 4.677 3.427 4.180) 7.148 2.614 ( 6.111 -4.115 1.234) 7.470 2.746 ( 1.470 9.278 7.929) 12.292 2.847 ( -0.442 1.017 5.318) 5.432 2.968 ( -5.028 -0.794 2.682) 5.753 3.038 ( -3.399 -5.857 4.328) 8.036 3.069 ( -0.254 0.332 0.601) 0.732 3.144 ( -0.262 -5.154 -4.249) 6.685 3.496 ( 2.658 3.119 -0.573) 4.137 3.549 ( 4.079 -1.487 3.255) 5.426 3.767 ( 1.552 0.291 -2.080) 2.612 3.788 ( -3.559 -0.304 1.934) 4.062 4.087 ( 0.719 -1.876 3.887) 4.376 4.105 ( 3.875 -2.062 0.567) 4.426 4.317 ( -2.467 2.649 -12.243) 12.766 4.361 ( -0.804 -1.584 -10.985) 11.128 4.673 ( 2.044 2.498 -2.484) 4.073 4.705 ( 1.031 -0.352 -2.401) 2.636 4.915 ( -3.243 8.057 0.606) 8.706 5.034 ( -2.396 -1.897 -1.523) 3.415 5.530 ( -3.429 1.227 2.128) 4.218 5.593 ( -2.852 -3.263 0.946) 4.436 5.714 ( 2.449 2.594 -2.291) 4.240 5.819 ( 3.144 -5.820 -2.568) 7.096 5.969 ( 2.508 1.376 -2.847) 4.036 6.060 ( 4.407 -6.313 -3.312) 8.381 6.357 ( 0.250 5.160 3.920) 6.484 6.449 ( -0.953 -3.148 2.943) 4.413 6.720 ( -1.366 4.787 -4.881) 6.972 6.805 ( -3.205 -2.705 -4.692) 6.293 7.206 ( 2.117 0.885 1.604) 2.800 7.274 ( -0.278 -5.739 0.835) 5.806 7.565 ( -2.881 4.232 -3.072) 5.970 7.667 ( -2.212 -5.228 -4.189) 7.054 8.288 ( 3.004 4.570 -1.518) 5.676 8.356 ( 3.361 -1.328 -2.928) 4.651 8.701 ( -0.165 1.022 2.673) 2.866 8.735 ( -1.030 -1.812 0.815) 2.238 9.760 ( 0.346 4.793 10.788) 11.809 9.777 ( -1.276 2.577 9.293) 9.728 10.195 ( -2.633 2.698 -0.524) 3.806 10.262 ( -1.784 -3.853 1.843) 4.628 10.464 ( 3.160 4.441 -5.580) 7.800 10.543 ( 1.502 -2.141 -6.671) 7.166 10.853 ( 2.750 5.386 -3.327) 6.902 10.907 ( 2.053 0.192 -4.307) 4.775 11.900 ( -2.164 4.043 2.008) 5.006 12.021 ( -2.006 -7.290 -0.997) 7.627 12.346 ( -2.538 3.860 4.692) 6.584 12.449 ( -1.856 -5.770 1.656) 6.284 12.953 ( 1.952 0.853 1.939) 2.881 12.977 ( -0.142 -1.575 1.201) 1.986 13.434 ( -1.974 1.729 2.365) 3.533 13.457 ( -2.246 -0.562 1.014) 2.527 14.011 ( 2.122 8.929 6.928) 11.499 14.242 ( 1.242 -12.370 5.481) 13.587 14.610 ( -0.495 9.225 -6.624) 11.367 14.817 ( 0.779 -9.843 -7.809) 12.589 19.013 ( -0.238 7.241 0.646) 7.274 19.106 ( 2.336 -0.758 -2.398) 3.433 19.566 ( -2.551 2.120 5.505) 6.428 19.707 ( 0.191 -9.909 1.044) 9.966 21.707 ( -4.325 12.238 4.672) 13.795 21.957 ( -2.731 -10.222 3.250) 11.069 22.387 ( 3.819 14.288 -8.102) 16.863 22.746 ( 7.569 -18.354 -12.175) 23.289 23.770 ( -0.722 4.762 3.079) 5.716 23.855 ( -0.653 -2.788 0.860) 2.990 24.417 ( 1.468 5.689 0.693) 5.916 24.535 ( 0.616 -4.911 -2.336) 5.473 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -6.620 8.552 12.439) 16.483 2.180 ( -3.975 5.055 9.864) 11.775 2.572 ( -1.248 7.146 0.453) 7.268 2.688 ( -7.772 6.951 4.464) 11.342 2.711 ( 0.328 -6.163 3.059) 6.888 2.831 ( -7.952 -4.545 -1.402) 9.266 2.879 ( -2.474 1.284 5.830) 6.462 2.983 ( -1.447 -9.165 5.428) 10.749 3.116 ( 4.108 -0.130 2.455) 4.788 3.141 ( 1.936 -2.569 -1.177) 3.426 3.531 ( 1.561 5.965 -0.693) 6.205 3.597 ( -1.265 0.437 5.087) 5.260 3.697 ( -4.599 5.200 3.974) 7.999 3.799 ( 1.086 -3.807 -0.650) 4.011 4.072 ( -3.534 0.938 2.724) 4.560 4.140 ( -0.633 -3.897 -2.323) 4.581 4.228 ( -1.913 3.470 -13.661) 14.224 4.308 ( -0.796 -4.611 -10.707) 11.685 4.602 ( -8.730 2.338 -3.236) 9.600 4.651 ( -4.771 -2.034 -3.159) 6.073 4.853 ( -2.636 6.506 2.128) 7.335 4.944 ( -5.531 -1.137 0.302) 5.655 5.461 ( -3.552 2.046 0.799) 4.176 5.518 ( -4.212 -2.133 0.186) 4.725 5.776 ( 4.231 2.063 -1.048) 4.823 5.862 ( 2.278 -5.006 -0.936) 5.579 6.011 ( 3.107 3.171 -5.100) 6.762 6.130 ( 3.799 -7.416 -5.273) 9.861 6.362 ( -2.419 3.152 3.165) 5.079 6.419 ( -3.669 -1.700 1.355) 4.265 6.737 ( 3.615 2.252 -1.558) 4.536 6.775 ( 1.803 -0.715 -3.049) 3.614 7.228 ( -0.518 -1.255 1.426) 1.969 7.253 ( -2.267 -4.410 1.660) 5.229 7.488 ( -3.957 3.822 -3.428) 6.482 7.588 ( -4.578 -5.459 -3.399) 7.894 8.339 ( 2.616 5.336 -3.340) 6.817 8.413 ( 3.294 -0.977 -3.915) 5.209 8.700 ( -0.732 -0.403 2.517) 2.652 8.709 ( -1.749 -0.780 1.491) 2.427 9.759 ( -3.266 4.504 9.577) 11.076 9.784 ( -1.500 3.238 10.601) 11.185 10.150 ( -1.952 2.875 -0.598) 3.526 10.221 ( -1.453 -1.798 -1.275) 2.640 10.520 ( 3.823 1.798 -5.112) 6.632 10.565 ( 2.472 -1.056 -6.292) 6.842 10.874 ( 0.765 5.151 -2.152) 5.634 10.948 ( 2.869 -1.547 -4.377) 5.457 11.882 ( -0.167 3.571 3.559) 5.044 11.997 ( 0.024 -7.154 -0.073) 7.155 12.310 ( -2.892 3.582 5.746) 7.363 12.416 ( -2.280 -6.057 2.436) 6.916 12.962 ( -0.130 2.123 0.196) 2.136 13.012 ( 1.555 -2.308 1.305) 3.074 13.432 ( 2.247 3.125 2.631) 4.662 13.486 ( 3.952 -1.787 2.160) 4.845 14.063 ( 0.907 7.381 6.602) 9.944 14.251 ( -1.936 -9.994 4.872) 11.285 14.556 ( -2.862 9.627 -6.806) 12.133 14.775 ( -2.738 -10.413 -8.032) 13.433 19.088 ( 7.904 8.460 0.088) 11.578 19.208 ( 8.831 -1.955 -2.205) 9.310 19.573 ( 1.418 5.175 5.233) 7.495 19.762 ( 4.826 -11.131 0.972) 12.171 21.606 ( -7.096 11.233 3.073) 13.637 21.853 ( -8.777 -11.748 3.269) 15.025 22.382 ( -1.507 16.687 -8.930) 18.986 22.757 ( -2.756 -18.493 -10.898) 21.641 23.769 ( -0.372 4.321 3.075) 5.316 23.836 ( -1.553 -1.691 1.075) 2.535 24.422 ( -1.140 3.869 0.252) 4.041 24.520 ( -1.357 -4.991 -2.194) 5.619 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -5.525 11.598 14.892) 19.668 2.144 ( -3.843 8.880 9.974) 13.896 2.423 ( -13.567 -2.498 1.600) 13.888 2.516 ( -10.051 1.769 1.356) 10.295 2.601 ( -11.413 -4.150 2.879) 12.481 2.698 ( -6.170 1.341 2.362) 6.742 2.830 ( -2.157 0.009 2.225) 3.099 2.931 ( -6.880 -10.259 1.749) 12.475 3.227 ( 6.783 1.218 3.801) 7.870 3.242 ( 5.448 0.070 4.133) 6.839 3.513 ( -4.037 9.245 0.981) 10.135 3.586 ( 0.659 3.868 3.322) 5.141 3.661 ( 0.025 5.741 6.421) 8.613 3.811 ( -0.172 -7.190 1.308) 7.310 4.004 ( -2.330 1.292 -0.376) 2.691 4.058 ( -4.132 -0.394 -9.729) 10.577 4.191 ( 0.165 0.321 -7.585) 7.593 4.244 ( -4.806 -4.190 -9.924) 11.796 4.437 ( -3.906 1.259 -1.780) 4.473 4.529 ( -5.013 -6.543 -2.978) 8.764 4.817 ( -1.815 4.889 0.191) 5.219 4.874 ( -1.792 -0.450 -0.889) 2.051 5.405 ( -2.580 1.754 0.064) 3.120 5.445 ( -3.283 -1.138 0.046) 3.474 5.846 ( 2.674 3.360 -0.629) 4.340 5.928 ( 4.761 -3.292 -0.822) 5.847 6.049 ( 2.461 2.235 -5.466) 6.397 6.137 ( -2.225 -5.474 -6.843) 9.042 6.317 ( -0.731 0.909 1.706) 2.066 6.352 ( -1.773 -1.881 -0.560) 2.645 6.780 ( -0.826 2.107 1.017) 2.481 6.813 ( 0.811 -0.533 -0.214) 0.994 7.187 ( -4.564 -1.917 2.753) 5.664 7.201 ( -3.599 -3.975 2.797) 6.048 7.402 ( -3.283 2.086 -4.637) 6.052 7.480 ( -4.960 -4.739 -3.970) 7.926 8.361 ( 0.876 5.649 -3.859) 6.897 8.445 ( 1.260 -1.470 -4.788) 5.164 8.674 ( -2.353 0.199 1.687) 2.902 8.694 ( -0.811 -1.486 1.184) 2.066 9.712 ( -4.363 5.272 8.881) 11.212 9.770 ( -3.026 1.300 9.753) 10.294 10.121 ( -0.386 5.510 -1.155) 5.643 10.216 ( 1.274 -0.634 -3.115) 3.425 10.559 ( 1.738 2.079 -6.073) 6.650 10.593 ( 2.156 -0.603 -6.497) 6.872 10.895 ( 2.152 2.477 0.593) 3.334 10.965 ( 0.012 -3.355 -2.488) 4.177 11.938 ( 4.866 2.858 5.715) 8.032 12.037 ( 4.067 -6.340 1.649) 7.710 12.268 ( -3.598 2.878 7.365) 8.687 12.377 ( -2.609 -6.810 3.408) 8.050 12.969 ( 1.030 2.793 0.021) 2.977 13.024 ( -0.387 -2.321 1.207) 2.645 13.540 ( 7.514 3.660 2.791) 8.812 13.600 ( 6.483 -1.898 2.328) 7.145 14.081 ( -0.914 4.529 4.852) 6.701 14.199 ( -4.681 -6.307 3.514) 8.604 14.463 ( -4.658 8.693 -6.073) 11.582 14.664 ( -6.178 -9.925 -7.940) 14.132 19.294 ( 11.824 8.179 0.955) 14.409 19.410 ( 11.633 -1.551 -0.828) 11.765 19.652 ( 6.003 9.021 2.747) 11.178 19.885 ( 7.870 -10.953 -1.134) 13.535 21.476 ( -6.268 8.112 0.870) 10.288 21.669 ( -10.275 -9.714 1.324) 14.202 22.280 ( -6.340 13.783 -7.896) 17.103 22.582 ( -12.062 -14.711 -8.889) 20.998 23.772 ( -0.290 2.355 2.798) 3.669 23.805 ( -1.985 -0.523 1.734) 2.688 24.380 ( -2.874 3.159 -0.738) 4.335 24.470 ( -3.277 -5.365 -1.397) 6.440 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -14.664 16.066 8.545) 23.370 2.115 ( -1.101 14.955 10.101) 18.081 2.187 ( -12.053 -8.029 4.244) 15.091 2.339 ( -8.346 2.918 0.680) 8.868 2.416 ( -6.037 -6.214 9.445) 12.817 2.546 ( -10.097 -5.250 1.552) 11.486 2.801 ( -4.814 -1.182 6.998) 8.576 2.818 ( 0.609 -1.746 -0.884) 2.049 3.313 ( -0.152 4.149 3.718) 5.573 3.366 ( 4.858 -1.240 6.505) 8.213 3.445 ( -1.849 9.927 2.172) 10.329 3.592 ( -1.882 1.434 1.361) 2.730 3.741 ( 3.015 2.411 2.077) 4.384 3.792 ( -1.281 -1.710 3.589) 4.177 3.936 ( -4.541 2.240 -6.832) 8.503 3.993 ( -3.542 -3.213 -2.010) 5.187 4.136 ( 4.059 1.467 -5.758) 7.197 4.207 ( 4.996 -3.607 -7.097) 9.399 4.437 ( 1.895 -2.714 -1.683) 3.714 4.478 ( -0.517 -6.281 -2.882) 6.931 4.763 ( -3.669 4.877 -4.247) 7.435 4.852 ( 0.437 -2.892 -6.657) 7.272 5.365 ( -1.165 1.562 -0.069) 1.949 5.404 ( -0.867 -1.485 -0.166) 1.728 5.838 ( -4.981 4.183 0.002) 6.504 5.923 ( -5.693 -2.936 -0.808) 6.456 6.103 ( 4.923 2.262 -3.996) 6.732 6.144 ( 8.146 -0.858 -2.787) 8.652 6.347 ( 4.492 1.550 -2.332) 5.293 6.398 ( 5.674 -3.116 -1.395) 6.622 6.685 ( -8.604 3.322 0.720) 9.251 6.757 ( -6.831 -2.964 0.245) 7.450 7.087 ( -6.008 -0.149 3.956) 7.195 7.139 ( -4.025 -5.349 4.380) 7.999 7.350 ( -0.327 0.870 -5.484) 5.562 7.413 ( 0.030 -4.671 -4.494) 6.482 8.354 ( -0.430 5.054 -2.920) 5.853 8.432 ( -1.052 -1.626 -4.435) 4.839 8.625 ( -2.965 1.765 1.314) 3.692 8.679 ( -0.706 -3.086 -0.634) 3.228 9.657 ( -3.867 5.450 8.661) 10.939 9.735 ( -3.267 -0.772 8.437) 9.080 10.131 ( 1.523 7.999 -1.616) 8.301 10.234 ( 1.494 0.137 -4.681) 4.916 10.557 ( 0.414 3.089 -6.269) 7.001 10.593 ( -0.053 0.326 -7.009) 7.016 10.946 ( -0.690 -1.707 2.027) 2.738 10.954 ( 2.120 -2.370 1.282) 3.428 12.085 ( 7.052 2.631 5.694) 9.439 12.153 ( 6.619 -3.544 3.071) 8.112 12.224 ( -3.181 0.607 9.768) 10.291 12.340 ( -2.188 -8.035 3.537) 9.048 13.008 ( 2.551 0.471 2.087) 3.330 13.019 ( -0.191 -0.590 2.911) 2.976 13.693 ( 4.692 1.812 -0.186) 5.034 13.718 ( 5.696 -0.166 1.704) 5.948 14.067 ( -1.139 1.141 3.405) 3.767 14.108 ( -5.005 -2.577 2.445) 6.138 14.359 ( -3.497 6.466 -5.240) 9.027 14.505 ( -7.119 -7.377 -7.413) 12.651 19.450 ( 2.008 8.280 5.609) 10.201 19.585 ( 4.200 -3.915 4.751) 7.452 19.859 ( 15.734 11.502 -6.897) 20.674 20.066 ( 12.395 -7.259 -6.690) 15.846 21.405 ( -0.134 3.173 -1.633) 3.571 21.506 ( -5.715 -6.008 -1.403) 8.410 22.104 ( -9.400 7.589 -4.729) 12.974 22.264 ( -17.819 -7.616 -5.026) 20.020 23.769 ( -1.172 1.012 2.796) 3.196 23.783 ( -0.468 -0.189 2.218) 2.274 24.325 ( -2.032 2.175 -1.064) 3.161 24.391 ( -4.254 -3.983 -1.090) 5.929 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -9.053 0.000 13.620) 16.354 1.290 ( 5.028 0.000 0.566) 5.059 1.706 ( 2.847 0.000 10.050) 10.445 2.035 ( 1.175 0.000 -17.554) 17.593 2.610 ( 2.589 0.000 28.705) 28.822 2.822 ( -6.169 0.000 2.342) 6.598 2.912 ( 2.475 0.000 -1.208) 2.754 3.043 ( -5.210 0.000 -8.668) 10.113 3.206 ( -1.180 0.000 3.309) 3.513 3.278 ( 1.053 0.000 -0.069) 1.056 3.471 ( -0.722 0.000 -4.514) 4.572 3.529 ( 3.634 0.000 -6.050) 7.058 3.613 ( -3.995 0.000 9.055) 9.897 3.730 ( -1.257 0.000 -1.871) 2.254 3.844 ( 2.041 0.000 3.585) 4.125 3.922 ( -6.090 0.000 -3.220) 6.889 4.201 ( 14.566 0.000 0.340) 14.570 4.212 ( -7.664 0.000 -0.644) 7.692 4.309 ( 6.622 0.000 6.394) 9.205 4.464 ( 0.449 0.000 -7.601) 7.614 4.804 ( -8.320 0.000 2.390) 8.656 4.917 ( 3.344 0.000 -8.486) 9.121 5.371 ( 0.082 0.000 3.068) 3.069 5.416 ( 2.205 0.000 -1.298) 2.559 5.807 ( -3.159 0.000 -0.409) 3.185 5.870 ( 5.255 0.000 -6.127) 8.071 6.093 ( 1.319 0.000 2.846) 3.137 6.114 ( -1.901 0.000 1.615) 2.495 6.338 ( -5.494 0.000 0.608) 5.528 6.384 ( 4.347 0.000 -3.353) 5.490 6.581 ( -7.535 0.000 3.684) 8.387 6.655 ( 8.401 0.000 -3.509) 9.105 7.302 ( 1.410 0.000 3.688) 3.949 7.375 ( -4.799 0.000 -3.440) 5.905 7.872 ( -0.930 0.000 4.279) 4.379 7.911 ( 0.637 0.000 0.192) 0.666 8.150 ( 0.598 0.000 3.128) 3.184 8.261 ( -0.764 0.000 -7.125) 7.166 8.305 ( -0.942 0.000 3.811) 3.926 8.403 ( 1.466 0.000 -5.158) 5.363 9.403 ( 0.497 0.000 4.005) 4.036 9.514 ( 0.241 0.000 -6.542) 6.546 9.576 ( -2.776 0.000 6.482) 7.051 9.708 ( 0.650 0.000 -6.123) 6.157 10.376 ( 0.262 0.000 1.689) 1.709 10.414 ( 0.201 0.000 -2.118) 2.127 11.076 ( -2.597 0.000 2.640) 3.703 11.125 ( 1.735 0.000 -2.005) 2.651 12.154 ( -2.701 0.000 7.486) 7.958 12.289 ( 2.139 0.000 -5.591) 5.986 12.727 ( -0.791 0.000 1.653) 1.832 12.742 ( -0.270 0.000 0.444) 0.519 13.247 ( 3.813 0.000 6.089) 7.184 13.373 ( -7.427 0.000 -6.305) 9.743 13.940 ( 13.779 0.000 1.931) 13.914 13.969 ( -18.915 0.000 -0.734) 18.929 14.015 ( -2.053 0.000 1.221) 2.388 14.058 ( 11.246 0.000 -2.614) 11.546 14.345 ( -24.991 0.000 2.685) 25.135 14.398 ( 31.619 0.000 -2.398) 31.710 18.846 ( 4.068 0.000 2.984) 5.045 18.895 ( -4.454 0.000 -1.757) 4.788 20.042 ( -14.020 0.000 8.120) 16.202 20.217 ( 19.442 0.000 -8.651) 21.280 21.613 ( -7.299 0.000 1.347) 7.422 21.643 ( 1.748 0.000 -1.829) 2.529 21.791 ( 20.424 0.000 2.318) 20.556 21.856 ( -21.901 0.000 -3.609) 22.197 23.756 ( -1.523 0.000 0.462) 1.592 23.768 ( 1.949 0.000 -0.806) 2.109 24.316 ( -10.528 0.000 1.480) 10.632 24.339 ( 6.074 0.000 -0.802) 6.127 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 24.000 0.000 6.504) 24.865 1.514 ( 11.187 0.000 12.484) 16.763 1.955 ( 22.186 0.000 -1.642) 22.246 2.034 ( 4.227 0.000 -16.532) 17.064 2.743 ( 0.862 0.000 29.153) 29.165 2.792 ( 0.793 0.000 -2.380) 2.509 2.914 ( -4.526 0.000 -2.458) 5.150 3.050 ( 10.679 0.000 -0.831) 10.711 3.199 ( 0.326 0.000 1.747) 1.777 3.245 ( -6.267 0.000 4.717) 7.844 3.452 ( 1.868 0.000 -3.548) 4.009 3.510 ( -3.403 0.000 3.495) 4.878 3.595 ( 2.397 0.000 2.013) 3.130 3.618 ( -6.458 0.000 0.182) 6.461 3.832 ( -3.052 0.000 1.867) 3.578 3.884 ( -1.528 0.000 -4.683) 4.926 4.213 ( 9.584 0.000 -1.185) 9.657 4.347 ( 0.508 0.000 -3.155) 3.196 4.433 ( -1.185 0.000 -11.169) 11.232 4.497 ( 6.726 0.000 2.516) 7.181 4.664 ( -3.850 0.000 4.257) 5.740 4.938 ( 0.871 0.000 -3.237) 3.352 5.407 ( 2.960 0.000 1.313) 3.239 5.481 ( 5.619 0.000 -3.771) 6.767 5.804 ( 2.279 0.000 -2.470) 3.361 5.943 ( 1.762 0.000 -3.570) 3.981 6.074 ( -2.868 0.000 1.397) 3.190 6.165 ( 6.632 0.000 0.831) 6.684 6.243 ( -4.668 0.000 1.806) 5.005 6.447 ( 2.177 0.000 -2.311) 3.175 6.521 ( 1.717 0.000 -0.216) 1.731 6.786 ( 4.825 0.000 -3.965) 6.245 7.281 ( -3.690 0.000 -0.682) 3.753 7.314 ( -1.479 0.000 6.137) 6.313 7.918 ( 3.479 0.000 2.706) 4.407 7.939 ( 0.914 0.000 0.754) 1.185 8.162 ( 0.051 0.000 5.880) 5.880 8.245 ( 1.874 0.000 -7.439) 7.672 8.324 ( 1.298 0.000 3.588) 3.816 8.440 ( 4.036 0.000 -6.170) 7.373 9.452 ( 3.116 0.000 4.335) 5.338 9.535 ( 4.146 0.000 -7.237) 8.340 9.565 ( -0.700 0.000 8.458) 8.487 9.717 ( 2.078 0.000 -4.444) 4.906 10.386 ( 0.402 0.000 1.400) 1.456 10.406 ( -0.333 0.000 -2.623) 2.644 11.003 ( -5.706 0.000 3.242) 6.563 11.111 ( -2.770 0.000 -1.429) 3.117 12.127 ( -2.520 0.000 7.820) 8.216 12.327 ( 3.544 0.000 -5.510) 6.551 12.699 ( -3.340 0.000 3.855) 5.100 12.730 ( -0.812 0.000 0.214) 0.840 13.194 ( -9.847 0.000 -2.915) 10.269 13.323 ( 0.756 0.000 8.295) 8.329 13.616 ( -14.372 0.000 0.350) 14.376 13.815 ( -21.786 0.000 -4.586) 22.263 13.946 ( -4.622 0.000 -1.153) 4.764 14.113 ( 2.241 0.000 -0.171) 2.247 14.383 ( 18.200 0.000 -1.508) 18.262 14.904 ( 19.863 0.000 -8.631) 21.657 18.816 ( -2.788 0.000 -2.490) 3.738 18.912 ( 1.043 0.000 4.412) 4.533 19.844 ( -7.007 0.000 2.666) 7.497 20.460 ( 4.897 0.000 -7.504) 8.960 21.456 ( -7.190 0.000 -2.185) 7.515 21.500 ( -5.331 0.000 2.643) 5.950 21.898 ( 17.044 0.000 -5.654) 17.958 22.233 ( 22.481 0.000 8.456) 24.019 23.727 ( -1.557 0.000 -0.307) 1.587 23.797 ( 1.199 0.000 -0.565) 1.325 24.166 ( -5.390 0.000 5.146) 7.452 24.456 ( 5.304 0.000 1.922) 5.642 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 6.773 0.000 14.919) 16.385 1.807 ( 19.428 0.000 -6.929) 20.627 2.099 ( 6.718 0.000 -9.836) 11.911 2.365 ( 13.187 0.000 -11.289) 17.359 2.770 ( 4.594 0.000 3.559) 5.812 2.801 ( -2.488 0.000 24.515) 24.641 2.965 ( 5.144 0.000 3.907) 6.460 3.101 ( -6.898 0.000 3.759) 7.856 3.171 ( 2.746 0.000 -3.254) 4.258 3.300 ( 5.284 0.000 9.367) 10.755 3.473 ( 0.247 0.000 -3.140) 3.150 3.564 ( 8.146 0.000 7.117) 10.817 3.599 ( 5.043 0.000 4.558) 6.797 3.701 ( 9.104 0.000 -2.242) 9.376 3.769 ( -4.605 0.000 2.702) 5.339 3.895 ( 5.862 0.000 -9.942) 11.542 4.294 ( -2.079 0.000 -8.812) 9.054 4.297 ( -5.504 0.000 0.538) 5.530 4.464 ( -2.632 0.000 3.738) 4.571 4.475 ( 9.564 0.000 -6.817) 11.745 4.752 ( 6.320 0.000 -1.749) 6.558 4.923 ( -1.735 0.000 -1.127) 2.068 5.488 ( 5.018 0.000 -0.582) 5.052 5.601 ( 7.468 0.000 -4.273) 8.604 5.844 ( 2.150 0.000 -2.472) 3.276 5.910 ( -3.711 0.000 -1.049) 3.857 6.021 ( -2.394 0.000 0.826) 2.532 6.149 ( -5.827 0.000 4.383) 7.291 6.311 ( 6.912 0.000 -1.440) 7.061 6.437 ( -2.524 0.000 -2.254) 3.384 6.606 ( 5.357 0.000 -3.562) 6.433 6.787 ( -3.161 0.000 -4.066) 5.150 7.250 ( 0.850 0.000 -0.457) 0.965 7.300 ( -1.556 0.000 6.247) 6.438 7.924 ( -2.516 0.000 1.197) 2.786 7.956 ( -0.694 0.000 1.871) 1.995 8.224 ( 3.737 0.000 8.399) 9.193 8.301 ( 6.085 0.000 -7.544) 9.692 8.352 ( 0.329 0.000 3.040) 3.058 8.505 ( 4.465 0.000 -7.879) 9.056 9.523 ( 1.757 0.000 6.438) 6.674 9.613 ( 3.271 0.000 8.584) 9.186 9.626 ( 7.611 0.000 -8.662) 11.531 9.753 ( 2.294 0.000 -2.724) 3.561 10.387 ( -0.522 0.000 -2.982) 3.027 10.404 ( 1.144 0.000 1.147) 1.620 10.889 ( -6.914 0.000 3.132) 7.591 11.010 ( -7.304 0.000 -0.984) 7.370 12.106 ( -2.298 0.000 8.697) 8.996 12.371 ( 2.244 0.000 -7.436) 7.767 12.615 ( -6.795 0.000 6.570) 9.452 12.731 ( 0.896 0.000 1.356) 1.625 12.967 ( -11.861 0.000 -3.089) 12.256 13.270 ( -6.341 0.000 2.913) 6.978 13.491 ( -1.248 0.000 2.913) 3.169 13.493 ( -9.018 0.000 -4.279) 9.982 13.858 ( -3.729 0.000 0.249) 3.737 14.134 ( 0.051 0.000 -3.576) 3.576 14.688 ( 13.519 0.000 -0.796) 13.543 15.110 ( 5.405 0.000 -7.001) 8.844 18.779 ( -0.015 0.000 -3.570) 3.570 18.898 ( -3.928 0.000 6.090) 7.247 19.811 ( 3.099 0.000 -1.922) 3.646 20.380 ( -9.330 0.000 2.106) 9.565 21.412 ( 1.603 0.000 -8.855) 8.999 21.418 ( -4.271 0.000 3.485) 5.512 22.327 ( 28.140 0.000 -12.158) 30.654 22.652 ( 16.292 0.000 14.435) 21.767 23.693 ( -1.516 0.000 -1.564) 2.178 23.805 ( -0.368 0.000 0.219) 0.428 24.150 ( 1.969 0.000 4.656) 5.055 24.531 ( 1.372 0.000 2.846) 3.160 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.429 0.000 12.590) 12.597 2.000 ( 6.158 0.000 -13.653) 14.978 2.194 ( 3.494 0.000 -2.061) 4.057 2.363 ( -2.733 0.000 -8.178) 8.622 2.847 ( 0.365 0.000 19.462) 19.465 2.881 ( -4.252 0.000 5.643) 7.066 3.033 ( 10.369 0.000 3.501) 10.944 3.189 ( 0.713 0.000 -3.832) 3.897 3.207 ( 9.603 0.000 4.136) 10.456 3.356 ( -1.268 0.000 8.279) 8.376 3.494 ( 1.982 0.000 0.092) 1.984 3.664 ( -4.775 0.000 -2.575) 5.425 3.752 ( 9.298 0.000 0.520) 9.312 3.782 ( 4.657 0.000 13.370) 14.157 3.922 ( 14.228 0.000 -3.421) 14.634 4.027 ( 8.824 0.000 -7.742) 11.738 4.171 ( -6.529 0.000 2.787) 7.099 4.223 ( -1.425 0.000 -7.771) 7.900 4.477 ( 0.966 0.000 2.915) 3.071 4.611 ( 6.123 0.000 -9.126) 10.990 4.843 ( 4.114 0.000 -3.015) 5.100 4.878 ( -2.146 0.000 -0.517) 2.207 5.574 ( 3.808 0.000 -2.831) 4.745 5.667 ( -2.726 0.000 -0.665) 2.806 5.827 ( -3.533 0.000 0.409) 3.557 5.858 ( 2.012 0.000 -5.070) 5.454 6.041 ( 4.880 0.000 -0.702) 4.931 6.087 ( -1.063 0.000 7.655) 7.728 6.338 ( -5.510 0.000 -2.482) 6.043 6.381 ( -1.083 0.000 -2.404) 2.636 6.657 ( 1.028 0.000 -2.463) 2.669 6.684 ( -4.792 0.000 -2.214) 5.278 7.294 ( 3.204 0.000 -1.503) 3.539 7.297 ( -0.501 0.000 4.021) 4.052 7.883 ( -1.178 0.000 0.852) 1.454 7.927 ( -2.486 0.000 2.156) 3.290 8.296 ( 0.549 0.000 6.645) 6.667 8.373 ( 1.032 0.000 4.795) 4.905 8.402 ( 5.755 0.000 -7.329) 9.319 8.549 ( 2.639 0.000 -9.198) 9.569 9.561 ( 0.079 0.000 8.763) 8.763 9.710 ( 2.949 0.000 7.978) 8.506 9.749 ( 4.965 0.000 -9.308) 10.549 9.784 ( 4.408 0.000 -3.341) 5.531 10.384 ( 1.640 0.000 -2.867) 3.303 10.435 ( 1.382 0.000 0.810) 1.602 10.772 ( -5.580 0.000 2.268) 6.023 10.841 ( -8.955 0.000 -0.792) 8.990 12.096 ( -1.573 0.000 9.726) 9.852 12.356 ( -0.736 0.000 -8.930) 8.960 12.504 ( -6.332 0.000 8.254) 10.403 12.681 ( -5.983 0.000 -4.809) 7.676 12.884 ( 4.341 0.000 2.735) 5.131 13.175 ( -3.968 0.000 -1.459) 4.228 13.402 ( -1.262 0.000 -0.304) 1.298 13.471 ( -2.364 0.000 1.907) 3.037 13.827 ( 0.031 0.000 4.106) 4.106 14.096 ( -2.244 0.000 -6.005) 6.410 14.894 ( 8.329 0.000 -0.394) 8.338 15.118 ( -1.783 0.000 -3.979) 4.360 18.794 ( 2.745 0.000 -4.512) 5.282 18.821 ( -5.461 0.000 6.218) 8.276 19.921 ( 8.425 0.000 -3.601) 9.162 20.187 ( -11.223 0.000 5.439) 12.472 21.356 ( -3.413 0.000 4.049) 5.296 21.422 ( 2.199 0.000 -9.268) 9.525 22.814 ( 25.455 0.000 -15.401) 29.752 22.894 ( 2.633 0.000 17.349) 17.548 23.674 ( 0.802 0.000 -2.599) 2.719 23.779 ( -2.745 0.000 0.328) 2.765 24.254 ( 7.333 0.000 2.306) 7.687 24.519 ( -3.162 0.000 1.396) 3.456 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -7.061 0.000 13.347) 15.100 2.027 ( 0.712 0.000 -6.120) 6.161 2.220 ( -0.102 0.000 1.088) 1.093 2.283 ( -4.457 0.000 -3.675) 5.777 2.879 ( 2.886 0.000 6.299) 6.929 2.908 ( 1.896 0.000 6.384) 6.660 3.174 ( -2.257 0.000 -0.132) 2.261 3.216 ( 7.205 0.000 -1.853) 7.440 3.352 ( -0.489 0.000 1.526) 1.603 3.365 ( 6.568 0.000 0.677) 6.602 3.527 ( 1.386 0.000 1.617) 2.130 3.564 ( -4.033 0.000 -2.231) 4.609 3.778 ( -8.601 0.000 11.750) 14.562 3.902 ( 3.794 0.000 0.716) 3.861 4.044 ( -4.235 0.000 3.254) 5.341 4.114 ( 1.065 0.000 -3.128) 3.304 4.142 ( 2.511 0.000 -1.866) 3.128 4.203 ( 1.579 0.000 -7.174) 7.345 4.480 ( -1.834 0.000 5.982) 6.257 4.633 ( -1.266 0.000 -9.243) 9.329 4.854 ( -0.154 0.000 -1.004) 1.015 4.890 ( 1.940 0.000 -4.171) 4.600 5.554 ( -6.277 0.000 2.486) 6.752 5.611 ( 1.637 0.000 -1.445) 2.183 5.769 ( -2.645 0.000 4.359) 5.099 5.908 ( 2.904 0.000 -7.135) 7.703 6.137 ( 5.578 0.000 4.591) 7.224 6.197 ( -7.761 0.000 -2.820) 8.257 6.212 ( 10.052 0.000 0.780) 10.082 6.301 ( -3.776 0.000 -5.883) 6.991 6.636 ( -0.208 0.000 0.155) 0.260 6.649 ( -1.005 0.000 -0.940) 1.376 7.294 ( -1.319 0.000 2.553) 2.874 7.339 ( 2.081 0.000 -2.101) 2.957 7.890 ( -1.249 0.000 0.646) 1.406 7.904 ( 3.261 0.000 -0.348) 3.280 8.300 ( -2.279 0.000 7.021) 7.381 8.398 ( -0.248 0.000 5.415) 5.420 8.443 ( 0.529 0.000 -7.068) 7.088 8.558 ( 1.305 0.000 -9.242) 9.334 9.576 ( -2.004 0.000 10.665) 10.852 9.741 ( -0.920 0.000 -5.085) 5.168 9.749 ( -0.692 0.000 5.057) 5.104 9.894 ( 5.589 0.000 -9.132) 10.707 10.419 ( -3.988 0.000 0.206) 3.993 10.435 ( 3.251 0.000 -1.456) 3.562 10.717 ( 0.550 0.000 1.128) 1.255 10.735 ( -0.021 0.000 -0.509) 0.509 12.107 ( -0.439 0.000 10.895) 10.904 12.311 ( -0.787 0.000 -8.773) 8.808 12.450 ( -1.530 0.000 9.216) 9.342 12.601 ( -0.133 0.000 -5.458) 5.460 13.004 ( 5.744 0.000 4.073) 7.041 13.084 ( -5.194 0.000 -3.464) 6.243 13.411 ( 1.667 0.000 1.717) 2.393 13.419 ( -3.208 0.000 1.354) 3.482 13.878 ( 3.236 0.000 6.189) 6.984 14.023 ( -2.869 0.000 -7.362) 7.901 15.013 ( 4.125 0.000 0.445) 4.149 15.042 ( -4.866 0.000 -2.540) 5.489 18.744 ( -4.202 0.000 5.478) 6.904 18.853 ( 4.819 0.000 -5.070) 6.994 19.995 ( -10.424 0.000 5.772) 11.915 20.086 ( 9.344 0.000 -2.993) 9.811 21.311 ( -2.521 0.000 4.250) 4.942 21.441 ( 2.557 0.000 -8.287) 8.673 22.840 ( -12.916 0.000 15.432) 20.124 23.173 ( 16.136 0.000 -16.100) 22.794 23.696 ( -5.838 0.000 0.806) 5.894 23.716 ( 3.530 0.000 -1.086) 3.694 24.424 ( 9.419 0.000 -1.001) 9.472 24.431 ( -5.619 0.000 -1.275) 5.762 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -8.532 0.000 15.521) 17.712 2.008 ( -2.178 0.000 2.032) 2.979 2.164 ( -7.475 0.000 0.591) 7.498 2.202 ( -2.148 0.000 2.535) 3.323 2.990 ( 6.615 0.000 -2.836) 7.197 2.991 ( 5.874 0.000 5.050) 7.746 3.086 ( -7.418 0.000 -2.006) 7.685 3.259 ( -0.577 0.000 -10.241) 10.257 3.277 ( -9.225 0.000 -1.655) 9.372 3.458 ( -10.403 0.000 3.969) 11.135 3.465 ( 2.300 0.000 -2.442) 3.355 3.588 ( 4.524 0.000 4.969) 6.720 3.649 ( -1.599 0.000 8.670) 8.816 3.833 ( -11.972 0.000 3.966) 12.612 3.943 ( -7.616 0.000 1.058) 7.689 4.036 ( -4.981 0.000 -6.798) 8.428 4.072 ( -6.788 0.000 3.475) 7.626 4.281 ( 8.222 0.000 -8.499) 11.825 4.455 ( -3.212 0.000 6.294) 7.066 4.526 ( -6.554 0.000 -2.897) 7.166 4.835 ( -1.872 0.000 -2.537) 3.153 4.909 ( 1.776 0.000 -3.455) 3.884 5.479 ( -3.185 0.000 4.571) 5.571 5.598 ( -5.044 0.000 6.122) 7.932 5.798 ( 5.391 0.000 0.260) 5.397 5.916 ( 0.420 0.000 -6.630) 6.643 6.058 ( -4.722 0.000 -1.900) 5.090 6.255 ( 1.165 0.000 -8.095) 8.179 6.272 ( 5.995 0.000 3.993) 7.203 6.370 ( 3.792 0.000 -1.681) 4.148 6.641 ( 1.565 0.000 1.950) 2.501 6.643 ( 0.041 0.000 -1.071) 1.072 7.256 ( -3.100 0.000 2.484) 3.973 7.376 ( 2.896 0.000 -3.540) 4.573 7.897 ( 1.961 0.000 -0.661) 2.070 7.982 ( 4.270 0.000 -2.648) 5.024 8.239 ( -6.228 0.000 8.042) 10.172 8.401 ( -1.192 0.000 4.845) 4.989 8.406 ( -1.388 0.000 -5.281) 5.461 8.526 ( -1.978 0.000 -8.535) 8.761 9.534 ( -5.406 0.000 10.327) 11.657 9.702 ( -1.426 0.000 -5.448) 5.632 9.743 ( -0.742 0.000 1.585) 1.750 9.897 ( -2.441 0.000 -9.382) 9.695 10.345 ( -2.108 0.000 1.029) 2.346 10.451 ( -0.895 0.000 -0.872) 1.249 10.812 ( 6.747 0.000 -1.561) 6.925 10.823 ( 8.794 0.000 0.894) 8.839 12.143 ( 0.337 0.000 11.739) 11.743 12.281 ( 0.356 0.000 -8.184) 8.192 12.523 ( 6.669 0.000 10.537) 12.470 12.630 ( 3.988 0.000 -4.019) 5.662 12.957 ( -6.295 0.000 -4.211) 7.573 13.121 ( 5.892 0.000 3.344) 6.775 13.367 ( -2.670 0.000 3.313) 4.255 13.469 ( 3.649 0.000 1.675) 4.016 13.950 ( -2.378 0.000 -7.139) 7.525 13.971 ( 4.148 0.000 5.680) 7.033 14.914 ( -7.947 0.000 -2.569) 8.352 15.053 ( -0.544 0.000 2.316) 2.379 18.700 ( -1.797 0.000 4.529) 4.873 18.939 ( 5.292 0.000 -4.999) 7.280 19.835 ( -7.389 0.000 4.672) 8.742 20.245 ( 7.286 0.000 -0.152) 7.287 21.288 ( -0.909 0.000 3.629) 3.741 21.471 ( 3.050 0.000 -7.165) 7.787 22.538 ( -21.494 0.000 11.452) 24.355 23.269 ( -3.351 0.000 -17.992) 18.301 23.617 ( -0.305 0.000 2.722) 2.739 23.774 ( 2.114 0.000 0.477) 2.167 24.318 ( -4.780 0.000 -3.533) 5.944 24.577 ( 6.655 0.000 -4.660) 8.124 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -9.951 0.000 15.613) 18.514 1.911 ( -11.105 0.000 3.593) 11.672 1.982 ( -12.366 0.000 1.882) 12.508 2.168 ( -2.533 0.000 2.632) 3.653 2.755 ( -22.828 0.000 5.796) 23.552 3.078 ( -5.542 0.000 -6.038) 8.196 3.094 ( 0.999 0.000 4.368) 4.481 3.180 ( -1.199 0.000 -10.994) 11.059 3.185 ( 10.956 0.000 -4.503) 11.845 3.321 ( -5.852 0.000 10.779) 12.265 3.404 ( -8.166 0.000 -2.492) 8.538 3.576 ( -11.474 0.000 0.321) 11.478 3.659 ( -0.004 0.000 3.144) 3.144 3.701 ( 1.719 0.000 -3.024) 3.478 3.758 ( -6.728 0.000 0.760) 6.771 3.988 ( 3.841 0.000 -10.732) 11.399 4.036 ( 0.112 0.000 13.153) 13.154 4.286 ( -7.484 0.000 -0.292) 7.489 4.376 ( -6.848 0.000 3.839) 7.851 4.534 ( 8.811 0.000 -2.977) 9.300 4.780 ( -1.727 0.000 -4.851) 5.150 4.935 ( 1.256 0.000 -2.171) 2.508 5.435 ( -2.990 0.000 4.160) 5.123 5.492 ( -6.973 0.000 6.152) 9.298 5.876 ( -1.965 0.000 -5.721) 6.049 5.901 ( 3.631 0.000 -0.171) 3.635 6.031 ( 1.160 0.000 -0.457) 1.247 6.285 ( 3.908 0.000 -7.384) 8.354 6.286 ( -6.545 0.000 0.779) 6.591 6.399 ( 2.354 0.000 1.711) 2.911 6.602 ( -3.541 0.000 -2.730) 4.472 6.714 ( 2.997 0.000 2.590) 3.961 7.220 ( -0.640 0.000 2.552) 2.631 7.426 ( 3.344 0.000 -5.591) 6.514 7.942 ( 1.727 0.000 -0.397) 1.772 8.013 ( -0.633 0.000 -3.563) 3.619 8.139 ( -5.483 0.000 7.534) 9.318 8.366 ( -2.000 0.000 -4.309) 4.750 8.377 ( -2.696 0.000 4.347) 5.115 8.453 ( -1.885 0.000 -7.332) 7.570 9.458 ( -4.761 0.000 7.204) 8.635 9.647 ( -2.846 0.000 -5.888) 6.540 9.712 ( -3.276 0.000 1.066) 3.445 9.793 ( -3.867 0.000 -8.253) 9.114 10.343 ( 0.703 0.000 1.450) 1.612 10.427 ( -0.843 0.000 -1.217) 1.480 10.946 ( 7.295 0.000 -2.429) 7.688 10.990 ( 7.053 0.000 0.845) 7.103 12.179 ( -0.528 0.000 11.009) 11.022 12.272 ( 1.122 0.000 -7.437) 7.521 12.697 ( 3.193 0.000 -1.457) 3.510 12.744 ( 6.839 0.000 2.744) 7.369 12.884 ( 6.244 0.000 3.304) 7.064 13.286 ( 11.438 0.000 0.682) 11.458 13.363 ( 2.096 0.000 8.104) 8.370 13.541 ( 2.829 0.000 -1.285) 3.108 13.899 ( -0.633 0.000 -3.867) 3.919 14.055 ( 2.791 0.000 3.814) 4.726 14.706 ( -13.228 0.000 -2.909) 13.544 14.989 ( -7.907 0.000 4.794) 9.247 18.705 ( 1.060 0.000 3.590) 3.743 19.003 ( 2.030 0.000 -3.750) 4.265 19.771 ( 0.790 0.000 1.870) 2.030 20.338 ( 0.550 0.000 5.487) 5.515 21.314 ( 3.484 0.000 1.163) 3.673 21.515 ( 3.652 0.000 -6.046) 7.063 22.140 ( -21.359 0.000 6.615) 22.360 22.966 ( -20.766 0.000 -15.088) 25.668 23.672 ( 3.533 0.000 0.000) 3.533 23.794 ( -0.108 0.000 0.940) 0.946 24.245 ( -1.261 0.000 -4.361) 4.540 24.623 ( -0.547 0.000 -6.696) 6.718 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -11.706 0.000 6.797) 13.537 1.524 ( -29.251 0.000 9.060) 30.622 1.750 ( -9.946 0.000 6.633) 11.954 2.095 ( -2.570 0.000 -12.231) 12.498 2.528 ( -4.326 0.000 22.763) 23.170 2.954 ( -4.854 0.000 -4.314) 6.494 2.996 ( -9.892 0.000 2.628) 10.236 3.164 ( -4.841 0.000 -8.845) 10.083 3.231 ( -3.386 0.000 7.132) 7.895 3.248 ( 0.341 0.000 -0.146) 0.370 3.424 ( 9.698 0.000 -3.894) 10.451 3.472 ( 0.213 0.000 -4.431) 4.437 3.636 ( -1.442 0.000 -0.381) 1.492 3.664 ( 1.676 0.000 1.126) 2.019 3.842 ( 9.784 0.000 0.366) 9.791 3.961 ( -6.399 0.000 -7.929) 10.189 4.120 ( 2.414 0.000 10.990) 11.252 4.228 ( -6.923 0.000 3.090) 7.581 4.238 ( 2.614 0.000 6.254) 6.779 4.559 ( -6.046 0.000 -4.416) 7.487 4.832 ( 8.467 0.000 -10.519) 13.504 4.918 ( -3.168 0.000 -0.876) 3.287 5.396 ( -4.171 0.000 4.672) 6.264 5.401 ( -1.005 0.000 2.226) 2.442 5.838 ( 0.159 0.000 -5.577) 5.579 5.899 ( -4.042 0.000 0.128) 4.044 6.059 ( 1.520 0.000 1.334) 2.022 6.163 ( -4.687 0.000 1.201) 4.838 6.334 ( 2.782 0.000 -5.661) 6.308 6.412 ( -1.920 0.000 1.417) 2.386 6.553 ( 1.674 0.000 -3.077) 3.503 6.710 ( -4.819 0.000 3.090) 5.725 7.250 ( 2.423 0.000 2.405) 3.414 7.445 ( -0.124 0.000 -6.356) 6.358 7.918 ( -3.971 0.000 3.501) 5.294 7.948 ( -4.072 0.000 -0.783) 4.147 8.118 ( 0.941 0.000 3.716) 3.834 8.306 ( -1.690 0.000 -7.132) 7.329 8.333 ( -2.851 0.000 3.849) 4.790 8.415 ( -0.731 0.000 -5.157) 5.208 9.407 ( -2.302 0.000 4.903) 5.416 9.564 ( -3.111 0.000 -6.316) 7.041 9.635 ( -4.713 0.000 3.289) 5.747 9.728 ( -0.749 0.000 -7.146) 7.185 10.363 ( 0.624 0.000 1.714) 1.824 10.416 ( 0.052 0.000 -1.605) 1.606 11.062 ( 5.297 0.000 -2.448) 5.835 11.079 ( 1.855 0.000 1.536) 2.409 12.181 ( -2.329 0.000 8.727) 9.033 12.275 ( 1.365 0.000 -6.503) 6.644 12.734 ( 0.979 0.000 0.342) 1.037 12.737 ( -0.994 0.000 -0.993) 1.405 13.137 ( 8.032 0.000 3.109) 8.613 13.490 ( 0.607 0.000 -7.825) 7.849 13.609 ( 13.875 0.000 0.937) 13.907 13.652 ( 26.912 0.000 11.796) 29.384 13.929 ( 4.384 0.000 0.357) 4.399 14.097 ( 1.114 0.000 1.398) 1.788 14.387 ( -18.831 0.000 -2.104) 18.948 14.759 ( -18.033 0.000 5.680) 18.907 18.760 ( 3.482 0.000 2.904) 4.534 18.980 ( -3.161 0.000 -2.049) 3.767 19.903 ( 13.032 0.000 -2.727) 13.315 20.267 ( -10.502 0.000 10.231) 14.662 21.461 ( 12.555 0.000 -1.492) 12.643 21.575 ( 4.273 0.000 -4.757) 6.394 21.810 ( -13.880 0.000 2.911) 14.181 22.429 ( -29.882 0.000 -10.443) 31.654 23.728 ( 2.480 0.000 -0.702) 2.578 23.782 ( -1.303 0.000 0.877) 1.571 24.252 ( 3.210 0.000 -3.379) 4.661 24.515 ( -8.427 0.000 -4.292) 9.457 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -7.002 10.139 12.231) 17.362 1.422 ( 4.858 10.752 -4.872) 12.764 1.843 ( 0.057 12.452 13.742) 18.545 2.175 ( 2.346 11.907 -16.269) 20.297 2.635 ( 2.830 1.584 23.458) 23.682 2.758 ( -6.324 -5.593 3.968) 9.328 2.845 ( 1.538 -5.638 0.148) 5.846 3.040 ( -4.231 -0.178 -5.703) 7.103 3.183 ( -0.394 -1.852 3.169) 3.692 3.299 ( 3.164 1.753 -4.312) 5.628 3.438 ( -1.361 -1.429 0.377) 2.010 3.546 ( 0.535 0.771 -6.967) 7.030 3.615 ( -5.312 0.581 9.287) 10.715 3.746 ( 0.263 1.432 -3.338) 3.642 3.862 ( 1.482 0.937 5.756) 6.017 3.973 ( -6.129 3.862 -4.561) 8.560 4.156 ( 11.253 -0.856 5.352) 12.490 4.258 ( 2.137 2.410 -2.887) 4.326 4.365 ( 0.972 3.436 1.713) 3.961 4.489 ( -0.928 1.997 -7.469) 7.787 4.739 ( -7.300 -5.897 1.932) 9.581 4.844 ( 3.980 -6.432 -8.430) 11.326 5.386 ( 0.138 1.350 2.885) 3.188 5.422 ( 2.028 0.313 -0.551) 2.125 5.806 ( -1.922 -0.424 0.551) 2.044 5.884 ( 2.759 1.221 -6.436) 7.108 6.046 ( 0.022 -3.003 3.595) 4.685 6.102 ( 0.055 -1.052 -1.212) 1.606 6.336 ( -3.223 0.578 1.746) 3.711 6.397 ( 3.676 0.829 -3.091) 4.873 6.609 ( -6.869 1.867 2.257) 7.467 6.661 ( 7.263 0.341 -2.680) 7.749 7.251 ( -1.940 -4.689 4.278) 6.637 7.329 ( -1.161 -3.387 -3.176) 4.786 7.675 ( -1.309 -13.774 3.706) 14.324 7.730 ( 2.353 -11.069 -1.377) 11.400 8.191 ( 0.970 2.069 1.382) 2.671 8.253 ( -0.728 1.464 -4.138) 4.449 8.465 ( -1.953 7.541 2.784) 8.273 8.553 ( 1.223 9.067 -4.851) 10.356 9.481 ( -0.049 7.519 6.096) 9.680 9.609 ( 1.175 6.767 -1.588) 7.049 9.652 ( -3.506 8.862 0.946) 9.577 9.781 ( 1.047 6.299 -6.667) 9.232 10.377 ( -0.751 0.211 1.590) 1.771 10.421 ( 0.936 0.560 -2.677) 2.891 11.066 ( -2.324 -1.019 2.771) 3.757 11.114 ( 1.459 -1.077 -1.843) 2.586 12.159 ( -2.465 0.353 7.225) 7.642 12.288 ( 2.324 -0.086 -5.304) 5.791 12.651 ( -0.463 -6.192 3.295) 7.029 12.698 ( -0.705 -4.314 -0.851) 4.454 13.213 ( 3.163 -2.853 6.113) 7.451 13.342 ( -5.830 -2.896 -6.491) 9.193 13.891 ( 1.844 -6.841 4.745) 8.527 13.934 ( 4.209 -2.892 -0.029) 5.107 14.029 ( -6.661 1.791 2.008) 7.184 14.070 ( 6.648 1.630 -1.110) 6.934 14.244 ( -2.511 -4.303 4.733) 6.872 14.383 ( 4.469 -2.994 -7.673) 9.370 19.014 ( -3.014 11.876 1.611) 12.358 19.058 ( 3.197 16.089 -2.840) 16.647 20.023 ( -11.348 -1.811 8.477) 14.280 20.207 ( 15.940 -1.125 -9.061) 18.370 21.547 ( -7.754 -4.674 1.556) 9.187 21.592 ( 8.013 -4.210 -2.902) 9.506 21.839 ( 8.555 3.239 1.680) 9.301 21.884 ( -14.748 2.031 -2.471) 15.091 23.757 ( -1.050 0.575 1.519) 1.934 23.785 ( 1.502 1.161 -1.262) 2.280 24.314 ( -8.086 -0.261 1.066) 8.160 24.333 ( 4.444 -0.500 -0.835) 4.549 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 19.826 7.563 7.161) 22.395 1.659 ( 14.530 11.821 5.215) 19.444 1.996 ( 13.300 6.381 2.858) 15.026 2.206 ( 7.011 12.422 -14.951) 20.664 2.728 ( 1.736 -3.763 5.829) 7.152 2.771 ( 2.015 0.513 21.217) 21.318 2.890 ( -2.094 -3.406 -2.871) 4.922 3.000 ( 6.185 -2.750 0.380) 6.780 3.184 ( 0.060 -0.122 -2.015) 2.020 3.304 ( -5.512 4.412 7.061) 9.985 3.411 ( 2.574 -2.268 -5.764) 6.707 3.514 ( -1.192 0.232 2.563) 2.836 3.565 ( -1.665 -1.683 7.761) 8.115 3.713 ( -0.804 4.609 -1.941) 5.065 3.839 ( -5.027 1.594 0.628) 5.311 3.893 ( -2.235 1.150 -3.776) 4.536 4.217 ( 6.558 -0.147 -4.616) 8.021 4.366 ( 1.234 1.850 -5.139) 5.600 4.461 ( 1.737 1.172 -3.180) 3.808 4.479 ( 0.587 -0.692 1.467) 1.725 4.642 ( 1.849 -1.462 1.441) 2.763 4.873 ( 1.219 -5.723 -3.464) 6.800 5.414 ( 2.871 0.611 0.739) 3.027 5.489 ( 4.942 0.549 -2.841) 5.727 5.800 ( 1.196 -1.462 -0.020) 1.889 5.895 ( -0.732 -2.487 -3.765) 4.571 6.047 ( -1.646 -2.879 3.368) 4.726 6.158 ( 5.169 -0.110 -4.269) 6.704 6.274 ( -1.717 2.216 2.544) 3.785 6.476 ( -3.290 1.322 -1.187) 3.739 6.544 ( 7.739 2.799 -2.718) 8.667 6.789 ( 4.866 0.187 -2.762) 5.599 7.195 ( -3.287 -5.227 4.072) 7.397 7.330 ( -0.111 -0.387 1.531) 1.583 7.713 ( 4.109 -14.169 1.864) 14.870 7.782 ( 2.860 -10.414 -1.261) 10.873 8.204 ( -0.165 1.594 1.691) 2.330 8.231 ( 0.056 1.405 -3.800) 4.052 8.470 ( 1.382 7.225 3.140) 7.998 8.575 ( 2.280 8.424 -4.098) 9.642 9.514 ( 1.433 5.700 5.982) 8.386 9.625 ( 0.440 7.905 1.900) 8.142 9.644 ( 2.938 7.491 -1.230) 8.140 9.803 ( 2.943 7.699 -5.056) 9.669 10.363 ( -0.865 -1.051 1.211) 1.822 10.434 ( 1.040 1.525 -2.393) 3.022 10.996 ( -5.596 -0.722 3.146) 6.460 11.098 ( -2.786 -1.258 -1.140) 3.262 12.122 ( -3.315 -0.499 6.797) 7.579 12.329 ( 3.095 -0.119 -5.356) 6.187 12.642 ( -1.202 -5.857 3.434) 6.895 12.666 ( -2.811 -4.369 1.093) 5.309 13.184 ( -9.163 -1.080 -3.362) 9.820 13.283 ( 1.678 -4.071 6.737) 8.048 13.608 ( -17.035 -0.196 0.883) 17.059 13.786 ( -12.758 -1.516 -4.641) 13.660 13.987 ( -7.129 2.681 0.203) 7.620 14.130 ( 3.231 1.075 -0.151) 3.408 14.365 ( 16.718 -1.472 -0.606) 16.794 14.747 ( 18.635 -12.426 -5.804) 23.138 18.924 ( -4.572 9.534 -0.119) 10.574 19.088 ( -1.707 14.547 0.411) 14.652 19.845 ( -6.578 0.007 2.374) 6.993 20.393 ( 2.328 -5.888 -6.445) 9.035 21.419 ( -1.859 -1.342 -3.581) 4.252 21.585 ( -7.007 5.547 3.526) 9.607 21.862 ( 17.160 -3.264 -5.788) 18.402 22.205 ( 19.747 -2.556 7.820) 21.393 23.743 ( -0.842 1.264 1.035) 1.838 23.806 ( 0.948 0.931 -1.778) 2.220 24.178 ( -4.841 1.222 4.190) 6.518 24.449 ( 5.576 -0.774 1.581) 5.847 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 14.439 5.187 3.712) 15.785 1.909 ( 9.511 10.852 4.546) 15.129 2.190 ( 6.989 7.636 -7.863) 12.999 2.407 ( 10.265 3.637 -11.179) 15.607 2.764 ( 0.309 0.983 13.671) 13.710 2.851 ( 3.400 2.034 9.399) 10.200 2.909 ( 5.929 -4.532 5.716) 9.400 3.084 ( -4.832 -2.059 3.765) 6.462 3.172 ( 1.580 0.653 -3.646) 4.027 3.264 ( 2.469 -1.683 10.374) 10.795 3.454 ( 2.639 0.090 -5.283) 5.907 3.588 ( 3.188 -1.737 5.320) 6.441 3.610 ( 7.850 1.967 7.943) 11.340 3.725 ( -2.129 -2.499 4.582) 5.636 3.804 ( 6.565 7.452 -4.713) 10.993 3.883 ( 4.093 -0.586 -9.675) 10.522 4.279 ( -0.725 -0.577 -2.909) 3.053 4.309 ( -4.628 0.457 -8.619) 9.794 4.432 ( 1.212 -1.559 2.948) 3.548 4.540 ( 6.265 4.709 -2.405) 8.198 4.746 ( 4.170 -1.866 -2.331) 5.129 4.874 ( -0.158 -3.302 -1.043) 3.467 5.497 ( 5.245 0.634 -0.763) 5.338 5.597 ( 7.007 -0.414 -3.721) 7.944 5.818 ( -1.658 -4.744 0.226) 5.031 5.862 ( 0.181 -0.793 -2.241) 2.384 6.012 ( -2.108 -1.803 2.120) 3.491 6.145 ( -3.888 -0.422 0.442) 3.936 6.331 ( 3.952 1.373 -0.444) 4.207 6.411 ( -2.621 -1.041 -0.722) 2.911 6.677 ( 4.980 4.464 -4.992) 8.346 6.808 ( -1.597 2.250 -3.506) 4.461 7.177 ( 0.470 -4.100 3.684) 5.532 7.332 ( 0.190 0.712 1.726) 1.877 7.785 ( 1.031 -10.841 1.322) 10.970 7.829 ( 2.738 -9.846 0.102) 10.220 8.201 ( 0.124 -1.169 -0.490) 1.274 8.242 ( 1.516 0.928 -0.509) 1.850 8.520 ( 2.688 7.171 0.885) 7.710 8.611 ( 2.570 6.948 -3.220) 8.078 9.565 ( 1.801 4.068 6.361) 7.762 9.677 ( 2.966 6.081 8.244) 10.665 9.724 ( 6.983 8.467 -7.631) 13.367 9.845 ( 2.184 8.181 -3.516) 9.168 10.359 ( 0.273 -1.234 0.661) 1.426 10.443 ( 0.536 1.998 -2.005) 2.881 10.884 ( -6.685 -0.452 2.923) 7.310 11.001 ( -6.845 -0.847 -0.680) 6.930 12.082 ( -2.911 -2.024 7.273) 8.092 12.346 ( 0.153 -2.751 -7.280) 7.784 12.589 ( -5.838 -2.334 5.706) 8.491 12.657 ( 1.754 -5.579 1.683) 6.086 12.966 ( -10.945 -0.140 -3.213) 11.408 13.312 ( -0.041 -6.581 2.296) 6.970 13.345 ( -9.300 3.836 -0.108) 10.060 13.614 ( -4.900 3.970 -0.563) 6.331 13.878 ( -4.033 1.885 1.268) 4.629 14.167 ( 0.767 2.778 -3.754) 4.732 14.647 ( 12.403 -3.785 -0.078) 12.968 14.974 ( 7.152 -11.582 -5.221) 14.579 18.857 ( -1.923 6.888 -2.167) 7.472 19.001 ( -7.042 8.784 4.242) 12.031 19.805 ( 1.858 -0.566 -1.934) 2.741 20.292 ( -9.239 -7.436 1.348) 11.937 21.433 ( 3.615 2.164 -8.903) 9.849 21.495 ( -4.161 6.681 4.861) 9.251 22.282 ( 27.080 -4.336 -11.806) 29.859 22.581 ( 14.637 -6.425 13.372) 20.841 23.727 ( -0.930 2.451 -0.591) 2.687 23.805 ( -0.633 0.518 -1.298) 1.534 24.167 ( 2.102 1.736 4.906) 5.612 24.532 ( 2.114 -0.211 2.024) 2.934 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.837 11.855 10.668) 15.970 2.036 ( 6.774 3.028 -8.162) 11.031 2.277 ( 3.520 7.545 -3.608) 9.074 2.395 ( -3.007 3.091 -7.882) 8.985 2.823 ( 0.150 -1.132 16.633) 16.672 2.917 ( -4.689 2.508 5.283) 7.496 3.064 ( 8.502 0.091 2.962) 9.004 3.083 ( 6.514 -6.808 4.937) 10.637 3.212 ( 3.899 0.874 -2.325) 4.623 3.332 ( -0.698 -3.344 6.066) 6.962 3.490 ( 2.016 0.465 0.782) 2.212 3.619 ( -2.151 -3.173 -2.579) 4.620 3.737 ( 5.788 -2.772 4.941) 8.099 3.803 ( 4.777 1.747 10.487) 11.656 3.955 ( 6.667 -0.407 -9.330) 11.475 4.024 ( 13.381 3.583 -4.733) 14.639 4.172 ( -5.283 0.659 -4.284) 6.834 4.280 ( 1.008 4.534 -0.817) 4.716 4.487 ( 2.387 -0.317 1.156) 2.671 4.644 ( 4.594 3.248 -5.792) 8.075 4.771 ( 0.415 -6.082 -1.617) 6.307 4.872 ( 0.245 -0.003 -2.333) 2.346 5.590 ( 4.326 1.175 -2.401) 5.086 5.669 ( -1.808 0.192 -0.060) 1.819 5.784 ( 1.632 -4.579 -3.566) 6.029 5.842 ( -2.412 -0.980 0.439) 2.640 6.032 ( 4.326 -0.798 -1.868) 4.779 6.093 ( -0.954 0.593 5.003) 5.127 6.320 ( -4.177 -2.601 0.367) 4.934 6.384 ( -1.234 2.190 -2.315) 3.417 6.682 ( -2.565 0.743 -1.269) 2.957 6.749 ( -2.059 5.508 -4.030) 7.129 7.227 ( 3.013 -2.924 2.890) 5.097 7.345 ( 0.627 1.065 -1.091) 1.648 7.781 ( -0.854 -8.224 2.266) 8.573 7.857 ( -0.213 -6.947 -0.194) 6.953 8.213 ( 1.161 -4.005 -0.241) 4.177 8.267 ( 0.735 -1.064 0.189) 1.306 8.576 ( 3.336 6.723 -1.155) 7.594 8.643 ( 1.295 6.031 -2.965) 6.844 9.618 ( 1.331 5.146 8.028) 9.628 9.756 ( 1.396 4.429 9.003) 10.130 9.851 ( 1.389 8.007 -5.928) 10.059 9.863 ( 7.946 7.635 -7.533) 13.348 10.382 ( 2.057 -0.172 -0.148) 2.069 10.447 ( 0.518 0.794 -1.335) 1.637 10.772 ( -5.355 0.055 2.319) 5.836 10.849 ( -7.848 0.656 -0.857) 7.922 12.059 ( -1.826 -3.081 8.327) 9.064 12.300 ( -1.797 -5.166 -8.222) 9.875 12.493 ( -5.572 -0.903 7.417) 9.321 12.643 ( -3.826 -3.202 -4.184) 6.511 12.882 ( 3.697 0.186 1.896) 4.159 13.195 ( -6.059 -0.458 -1.774) 6.330 13.348 ( 2.200 -0.754 2.103) 3.135 13.528 ( -4.779 2.839 0.157) 5.561 13.856 ( 0.652 2.760 4.999) 5.748 14.139 ( -1.784 3.869 -6.292) 7.599 14.835 ( 7.120 -5.595 0.852) 9.095 15.023 ( 0.319 -8.359 -4.139) 9.333 18.842 ( 1.262 4.394 -3.382) 5.687 18.879 ( -6.497 5.159 4.914) 9.642 19.878 ( 5.656 -3.889 -2.221) 7.214 20.109 ( -9.864 -6.797 3.362) 12.442 21.435 ( -3.383 7.084 5.051) 9.335 21.484 ( 3.925 5.679 -9.015) 11.354 22.747 ( 23.758 -6.360 -14.174) 28.386 22.801 ( 3.059 -8.426 15.164) 17.616 23.712 ( 0.114 2.896 -1.851) 3.439 23.773 ( -2.479 0.302 -0.621) 2.573 24.270 ( 6.628 1.541 3.915) 7.851 24.536 ( -1.976 0.986 0.089) 2.210 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -6.901 10.339 11.558) 16.974 2.087 ( 0.161 5.182 -2.271) 5.660 2.305 ( 0.136 7.882 -1.999) 8.133 2.326 ( -2.724 4.219 -2.446) 5.586 2.882 ( 3.238 -0.764 5.654) 6.560 2.888 ( 0.833 -0.617 5.272) 5.373 3.136 ( -1.410 -2.091 4.937) 5.544 3.250 ( 8.987 -2.010 -2.453) 9.530 3.273 ( 0.594 -3.223 -0.366) 3.298 3.313 ( 0.036 -5.044 -1.727) 5.332 3.500 ( -2.615 -1.220 4.837) 5.632 3.589 ( 1.518 1.673 -3.175) 3.896 3.794 ( -6.566 0.999 10.354) 12.302 3.857 ( 0.591 -3.706 4.406) 5.788 4.032 ( 1.838 -2.585 -6.382) 7.127 4.046 ( -1.734 -0.223 -5.394) 5.670 4.243 ( -4.356 4.302 0.450) 6.139 4.271 ( 6.834 5.382 -2.134) 8.957 4.521 ( -0.283 3.256 4.475) 5.542 4.633 ( -3.494 -0.877 -6.635) 7.550 4.810 ( 3.753 -3.059 -1.102) 4.966 4.852 ( -1.101 -1.680 -4.780) 5.185 5.584 ( -5.335 2.137 2.243) 6.170 5.634 ( 1.099 1.657 -0.410) 2.030 5.746 ( -3.776 -2.275 3.620) 5.704 5.877 ( 4.537 -2.854 -6.681) 8.566 6.104 ( -0.432 -2.619 1.679) 3.141 6.148 ( 5.001 -1.407 -2.614) 5.816 6.261 ( 0.772 1.933 1.849) 2.784 6.326 ( -1.655 2.293 -3.776) 4.717 6.655 ( 0.427 1.399 1.611) 2.176 6.700 ( -2.085 3.556 -2.663) 4.907 7.284 ( 1.468 -0.954 2.526) 3.073 7.338 ( -0.472 -0.241 -2.935) 2.982 7.788 ( 0.450 -9.078 3.068) 9.593 7.842 ( -0.004 -5.549 -1.988) 5.894 8.231 ( -0.472 -5.005 1.624) 5.283 8.268 ( 0.276 -1.006 -1.138) 1.544 8.620 ( -0.253 7.248 -1.062) 7.330 8.641 ( 0.935 5.034 -3.437) 6.167 9.655 ( -1.011 7.111 10.755) 12.933 9.754 ( -3.033 3.197 3.720) 5.766 9.846 ( 0.304 6.543 -2.161) 6.897 9.981 ( 5.229 7.639 -10.962) 14.348 10.416 ( -1.097 -0.422 0.911) 1.487 10.447 ( 0.951 0.664 -2.079) 2.381 10.716 ( -0.003 0.525 2.373) 2.430 10.760 ( 0.471 1.849 -1.831) 2.644 12.064 ( -0.451 -3.662 9.664) 10.344 12.247 ( -0.904 -5.622 -7.920) 9.755 12.444 ( -1.587 -0.458 8.424) 8.585 12.582 ( -0.049 -1.664 -4.995) 5.265 13.004 ( 6.120 -0.086 3.785) 7.197 13.071 ( -6.249 -1.474 -2.530) 6.901 13.409 ( 2.611 0.791 2.621) 3.783 13.438 ( -3.531 0.996 -0.256) 3.678 13.915 ( 3.050 3.421 6.930) 8.309 14.072 ( -2.608 4.443 -7.841) 9.382 14.914 ( -0.570 -8.110 3.239) 8.752 14.999 ( 0.133 -4.786 -5.031) 6.945 18.789 ( -3.934 4.175 4.963) 7.586 18.890 ( 4.602 3.331 -4.714) 7.382 19.914 ( -7.226 -6.537 6.597) 11.767 20.027 ( 6.119 -5.597 -4.235) 9.311 21.384 ( -3.612 6.747 5.510) 9.430 21.533 ( 3.900 8.049 -8.915) 12.628 22.755 ( -11.666 -7.779 14.859) 20.430 23.083 ( 14.438 -8.667 -16.341) 23.465 23.695 ( -3.915 0.802 2.203) 4.563 23.741 ( 1.827 2.299 -2.421) 3.806 24.404 ( 2.768 0.056 3.297) 4.305 24.485 ( 0.459 2.473 -4.485) 5.142 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -7.749 10.515 12.781) 18.274 2.062 ( -3.152 4.719 5.667) 8.020 2.228 ( -6.071 5.584 2.949) 8.760 2.295 ( -1.767 9.068 -2.960) 9.701 2.956 ( 3.896 -2.965 0.286) 4.904 2.992 ( 6.553 0.190 0.780) 6.602 3.086 ( -3.635 -1.405 1.526) 4.185 3.192 ( -9.169 -4.720 -3.303) 10.829 3.285 ( -2.865 0.385 -9.164) 9.609 3.351 ( -0.388 -5.642 1.505) 5.852 3.463 ( -2.597 -4.639 4.923) 7.246 3.601 ( -2.048 3.297 1.866) 4.306 3.695 ( -0.167 2.974 7.097) 7.697 3.800 ( -7.932 -2.355 6.293) 10.396 3.931 ( -7.240 -1.505 -4.347) 8.578 4.070 ( 0.142 0.140 -0.215) 0.293 4.077 ( -8.479 3.402 -4.149) 10.034 4.333 ( 0.020 4.485 -6.010) 7.500 4.475 ( -3.759 -0.087 1.916) 4.220 4.561 ( -2.522 3.544 2.113) 4.836 4.798 ( -2.171 -2.485 -4.023) 5.203 4.871 ( 1.990 -2.931 -2.171) 4.155 5.505 ( -4.021 1.904 4.128) 6.069 5.597 ( -5.836 -0.471 6.641) 8.853 5.759 ( 4.444 -2.496 -1.648) 5.357 5.917 ( 0.876 -0.513 -5.459) 5.553 6.032 ( -2.622 -2.470 -1.022) 3.744 6.227 ( 2.493 -1.180 -7.569) 8.056 6.302 ( 3.972 2.107 3.155) 5.493 6.367 ( 1.907 -0.733 -1.614) 2.603 6.667 ( -0.603 2.122 -0.153) 2.211 6.691 ( 2.501 3.637 1.562) 4.682 7.265 ( -3.064 0.566 0.056) 3.116 7.350 ( 2.300 -2.212 -2.105) 3.823 7.798 ( -0.101 -9.995 1.575) 10.118 7.856 ( 0.684 -8.857 -0.888) 8.928 8.193 ( -2.914 -2.138 1.201) 3.808 8.283 ( 0.936 -0.795 -1.200) 1.717 8.579 ( -2.101 7.285 -1.722) 7.775 8.643 ( -0.790 6.121 -2.322) 6.595 9.618 ( -5.865 7.539 10.746) 14.377 9.706 ( -2.537 2.847 0.859) 3.909 9.847 ( 0.505 6.929 -2.932) 7.541 9.969 ( -2.697 6.185 -10.064) 12.116 10.376 ( -1.210 2.419 -0.078) 2.706 10.450 ( -0.615 -0.143 -1.177) 1.336 10.797 ( 6.630 -0.597 0.602) 6.684 10.846 ( 7.672 1.388 -1.274) 7.899 12.099 ( 0.695 -3.788 10.412) 11.102 12.224 ( 0.981 -4.995 -6.803) 8.497 12.500 ( 4.834 -2.081 9.585) 10.935 12.606 ( 3.274 -2.239 -3.500) 5.290 12.931 ( -6.107 -1.595 -2.641) 6.842 13.136 ( 5.789 0.378 3.736) 6.900 13.358 ( -3.025 0.247 1.162) 3.250 13.505 ( 4.996 2.389 2.030) 5.898 13.974 ( -0.694 2.776 -1.568) 3.263 14.026 ( 1.775 4.505 0.076) 4.843 14.832 ( -7.530 -7.026 1.264) 10.376 14.995 ( -1.026 -5.685 -1.813) 6.055 18.763 ( -0.101 5.677 3.819) 6.843 18.984 ( 6.315 4.038 -4.618) 8.804 19.795 ( -5.706 -3.467 5.239) 8.487 20.161 ( 7.210 -7.372 -1.212) 10.383 21.335 ( -2.924 4.624 4.800) 7.278 21.577 ( 3.418 9.032 -8.108) 12.609 22.476 ( -20.386 -5.823 11.329) 24.039 23.149 ( -3.362 -10.665 -17.101) 20.432 23.654 ( 0.239 3.270 3.027) 4.462 23.775 ( 1.516 0.529 -0.437) 1.664 24.340 ( -4.813 1.794 -2.484) 5.706 24.574 ( 5.207 -0.601 -3.954) 6.566 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -9.174 10.898 10.989) 17.991 1.958 ( -11.476 4.670 5.513) 13.561 2.092 ( -10.568 8.515 6.980) 15.261 2.249 ( -1.637 8.264 -2.935) 8.921 2.778 ( -20.337 1.795 5.496) 21.143 2.992 ( -5.032 -7.042 -4.704) 9.851 3.087 ( -1.716 -1.802 3.646) 4.415 3.140 ( 5.745 -1.848 -5.019) 7.849 3.221 ( 1.130 0.588 -10.132) 10.212 3.272 ( -6.475 -1.294 10.657) 12.537 3.391 ( -3.536 -2.311 -1.689) 4.549 3.606 ( -4.537 -1.093 3.661) 5.931 3.633 ( -4.678 1.246 4.352) 6.510 3.738 ( -0.279 3.139 -2.790) 4.209 3.776 ( -3.599 2.319 -0.738) 4.344 3.993 ( 2.276 0.250 -11.073) 11.308 4.063 ( -0.910 2.222 9.767) 10.058 4.248 ( -7.237 -2.051 -0.171) 7.524 4.464 ( -1.434 4.487 1.144) 4.847 4.538 ( 3.215 1.920 -1.925) 4.210 4.754 ( -1.087 -2.801 -3.553) 4.653 4.884 ( -0.038 -4.068 -2.124) 4.589 5.443 ( -3.864 0.675 3.921) 5.546 5.496 ( -5.990 0.142 5.804) 8.342 5.832 ( 1.763 -3.646 -0.762) 4.121 5.886 ( 0.213 -0.048 -5.477) 5.482 6.047 ( 2.493 -0.231 -0.711) 2.602 6.211 ( -2.953 -3.335 -4.729) 6.497 6.332 ( -1.858 1.453 -0.483) 2.407 6.394 ( 3.395 -0.954 0.920) 3.644 6.633 ( -3.927 2.999 -0.911) 5.024 6.751 ( 2.148 2.948 1.910) 4.118 7.218 ( -1.022 -0.315 -0.096) 1.074 7.389 ( 2.292 -3.170 -3.647) 5.348 7.784 ( -2.410 -12.490 2.225) 12.913 7.821 ( -4.321 -12.789 0.261) 13.502 8.157 ( -0.887 1.215 1.408) 2.061 8.287 ( 0.171 0.822 -2.956) 3.073 8.548 ( -0.739 7.205 -1.784) 7.459 8.602 ( -2.368 7.887 -2.082) 8.494 9.535 ( -5.133 7.278 8.052) 12.006 9.654 ( -2.810 2.872 -0.347) 4.033 9.826 ( -2.469 8.340 -3.120) 9.240 9.870 ( -3.342 6.199 -8.114) 10.744 10.368 ( 0.172 2.038 -0.471) 2.099 10.434 ( -0.474 0.741 -1.099) 1.408 10.934 ( 7.242 -1.099 -1.794) 7.542 10.989 ( 6.289 -0.221 0.304) 6.300 12.142 ( 0.568 -3.079 8.221) 8.797 12.242 ( 2.334 -2.942 -4.120) 5.575 12.638 ( 2.619 -7.075 2.150) 7.844 12.671 ( 4.260 -4.073 0.951) 5.971 12.892 ( 6.433 0.813 2.916) 7.110 13.245 ( 3.117 -5.316 5.890) 8.524 13.371 ( 6.621 4.171 -0.173) 7.827 13.601 ( 3.803 3.337 0.744) 5.114 13.938 ( 0.312 3.493 -4.616) 5.797 14.085 ( 1.885 2.620 3.986) 5.129 14.642 ( -12.772 -5.347 0.514) 13.856 14.915 ( -7.730 -7.010 0.223) 10.437 18.811 ( 4.119 9.303 2.026) 10.374 19.081 ( 4.172 6.851 -2.983) 8.558 19.757 ( 1.407 -1.277 2.707) 3.308 20.265 ( 2.331 -6.465 3.548) 7.734 21.317 ( 0.536 1.192 2.531) 2.848 21.618 ( 3.383 8.386 -6.989) 11.429 22.095 ( -20.758 -4.254 6.734) 22.234 22.874 ( -18.892 -8.217 -14.446) 25.162 23.702 ( 2.952 2.624 0.996) 4.073 23.788 ( -0.169 -0.177 0.647) 0.691 24.259 ( -2.051 1.317 -3.863) 4.568 24.603 ( -1.191 -2.018 -5.165) 5.671 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -14.236 9.120 4.802) 17.576 1.615 ( -22.971 8.044 3.851) 24.642 1.894 ( -9.684 12.387 12.006) 19.783 2.203 ( -0.588 9.666 -11.871) 15.320 2.567 ( -4.422 3.450 18.944) 19.756 2.870 ( -5.369 -6.310 0.143) 8.286 2.955 ( -11.050 -5.497 0.557) 12.354 3.141 ( -4.699 -1.222 -6.344) 7.989 3.185 ( -0.819 -3.526 3.268) 4.877 3.252 ( 2.203 1.592 -0.027) 2.718 3.425 ( 2.784 -1.217 0.832) 3.150 3.532 ( 1.588 4.615 -6.594) 8.204 3.660 ( 1.162 2.697 5.001) 5.799 3.675 ( 0.368 1.052 -2.811) 3.024 3.859 ( 9.611 1.465 0.622) 9.742 3.959 ( -5.477 -0.464 -7.078) 8.961 4.102 ( -1.316 -3.559 5.039) 6.308 4.162 ( 1.246 3.311 9.196) 9.853 4.410 ( -2.154 7.909 1.032) 8.262 4.577 ( -3.313 0.251 -5.141) 6.122 4.764 ( 5.805 -5.149 -9.334) 12.138 4.847 ( -3.639 -6.150 -0.994) 7.215 5.389 ( -2.275 0.136 3.272) 3.988 5.427 ( -2.457 1.257 3.508) 4.463 5.827 ( -0.190 -1.060 -1.324) 1.707 5.890 ( -0.291 -0.542 -5.075) 5.112 6.057 ( -1.822 -0.633 1.735) 2.594 6.128 ( -2.568 -2.484 -0.344) 3.589 6.321 ( 0.821 -0.522 -1.717) 1.974 6.445 ( -0.696 2.374 1.020) 2.676 6.549 ( -0.125 -0.016 -2.493) 2.497 6.741 ( -4.318 2.202 1.632) 5.115 7.229 ( 1.590 -1.835 0.848) 2.572 7.391 ( -1.567 -4.647 -4.232) 6.478 7.720 ( -3.982 -14.005 2.823) 14.832 7.736 ( -3.408 -12.808 1.446) 13.332 8.166 ( 1.030 2.291 1.176) 2.773 8.275 ( -0.277 1.582 -3.871) 4.191 8.515 ( -2.856 6.975 0.138) 7.538 8.560 ( -0.582 9.245 -3.910) 10.055 9.484 ( -2.393 7.577 6.551) 10.298 9.611 ( -1.119 4.454 -0.792) 4.660 9.741 ( -4.872 9.574 -1.999) 10.927 9.804 ( -1.216 6.103 -7.383) 9.656 10.375 ( 0.456 1.087 0.333) 1.225 10.422 ( -0.292 0.662 -1.586) 1.743 11.047 ( 4.558 -1.332 -1.542) 4.993 11.073 ( 2.434 -0.784 0.929) 2.721 12.166 ( -0.558 -1.213 6.833) 6.962 12.270 ( 1.564 -0.671 -3.957) 4.307 12.647 ( -0.189 -7.077 1.247) 7.189 12.704 ( 0.444 -3.786 -1.067) 3.958 13.116 ( 7.525 -1.678 3.472) 8.455 13.370 ( 7.609 -10.379 2.069) 13.035 13.583 ( 14.413 0.696 1.295) 14.487 13.689 ( 9.387 2.388 3.601) 10.334 13.998 ( 6.612 4.488 -1.288) 8.094 14.110 ( 0.387 1.076 1.875) 2.196 14.348 ( -17.646 -2.712 1.091) 17.887 14.686 ( -16.195 -6.798 0.005) 17.564 18.923 ( 6.838 13.865 -0.345) 15.463 19.099 ( -1.787 10.361 -0.346) 10.520 19.892 ( 12.336 -1.048 -1.381) 12.457 20.234 ( -7.625 -3.146 7.625) 11.233 21.399 ( 8.140 -3.187 -0.898) 8.787 21.674 ( 4.549 6.432 -5.125) 9.399 21.772 ( -13.402 -3.246 3.067) 14.127 22.384 ( -27.009 -3.975 -9.402) 28.874 23.751 ( 1.911 1.947 -0.119) 2.731 23.778 ( -0.957 -0.101 1.058) 1.431 24.252 ( 2.516 0.132 -2.990) 3.910 24.498 ( -7.888 -1.698 -3.412) 8.760 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -4.559 15.383 9.401) 18.596 1.686 ( 3.880 13.617 -7.884) 16.206 2.160 ( -1.308 15.346 14.366) 21.062 2.428 ( 0.581 6.778 -9.215) 11.454 2.555 ( 0.377 -7.242 2.369) 7.629 2.628 ( -0.431 -8.604 -3.392) 9.259 2.787 ( -0.044 2.822 18.861) 19.071 3.061 ( -2.248 1.554 -6.716) 7.251 3.146 ( 0.014 0.372 10.285) 10.292 3.352 ( 3.571 3.888 -8.737) 10.208 3.455 ( 0.816 3.038 3.881) 4.996 3.559 ( -3.646 0.278 -5.720) 6.789 3.646 ( -8.751 2.231 8.722) 12.555 3.782 ( 0.167 1.691 -3.969) 4.318 3.848 ( 0.864 -2.372 9.026) 9.373 4.025 ( -1.551 -0.003 -5.919) 6.119 4.185 ( 16.256 2.664 2.964) 16.738 4.318 ( -5.804 3.503 -5.630) 8.812 4.403 ( -0.286 -0.706 1.731) 1.891 4.513 ( 1.339 -0.935 -5.405) 5.646 4.584 ( -3.624 -7.451 1.182) 8.369 4.694 ( 2.272 -5.908 -9.796) 11.663 5.409 ( 2.084 -0.293 1.317) 2.482 5.415 ( -0.382 -0.707 0.521) 0.958 5.782 ( -3.355 -1.058 4.489) 5.703 5.902 ( 0.613 -0.990 -4.603) 4.748 6.021 ( 0.658 2.156 0.772) 2.382 6.099 ( 1.684 1.097 -4.632) 5.049 6.370 ( -1.907 2.684 1.955) 3.830 6.428 ( 3.916 2.398 -2.708) 5.331 6.628 ( -2.756 -0.315 0.913) 2.921 6.654 ( 2.962 -1.445 -1.428) 3.591 7.147 ( -4.101 -4.094 5.599) 8.058 7.259 ( 2.650 -3.105 -5.152) 6.573 7.402 ( -2.111 -11.133 5.675) 12.673 7.513 ( 3.447 -9.396 -4.688) 11.051 8.248 ( 0.676 3.374 1.114) 3.616 8.296 ( -1.218 2.354 -3.501) 4.390 8.571 ( -2.003 2.650 3.471) 4.804 8.654 ( 1.212 0.873 -4.333) 4.583 9.668 ( -1.682 8.175 8.374) 11.823 9.755 ( -0.298 6.786 3.104) 7.468 9.919 ( -2.021 13.490 -4.630) 14.405 9.949 ( 3.116 9.466 -5.139) 11.212 10.392 ( -1.704 1.407 0.069) 2.211 10.433 ( 1.364 0.605 -3.600) 3.897 11.032 ( -1.763 -2.182 2.929) 4.056 11.076 ( 0.936 -2.676 -1.297) 3.118 12.169 ( -2.082 0.748 5.936) 6.335 12.280 ( 2.565 -0.887 -4.597) 5.338 12.504 ( -0.324 -6.764 5.539) 8.748 12.576 ( -0.226 -6.662 -1.006) 6.742 13.149 ( 1.689 -2.590 5.694) 6.480 13.255 ( -1.262 -4.961 -3.661) 6.294 13.724 ( 4.801 -6.209 8.023) 11.224 13.844 ( -2.295 -5.795 -3.204) 7.008 14.074 ( -5.395 2.379 3.186) 6.702 14.118 ( 2.190 2.168 1.036) 3.251 14.210 ( 0.562 0.301 -0.046) 0.639 14.316 ( 1.846 -2.640 -8.105) 8.721 19.300 ( -6.071 14.268 5.650) 16.503 19.439 ( 6.022 17.510 -7.751) 20.074 19.965 ( -6.739 -3.596 8.425) 11.372 20.161 ( 10.192 -3.447 -9.948) 14.653 21.454 ( -4.342 -3.681 0.661) 5.731 21.495 ( 7.382 -4.501 -3.294) 9.252 21.899 ( 0.525 2.281 0.970) 2.533 21.923 ( -7.411 1.452 -1.180) 7.644 23.781 ( -0.779 1.525 2.064) 2.682 23.809 ( 1.049 0.967 -0.628) 1.559 24.304 ( -2.867 -0.611 0.424) 2.962 24.318 ( 0.925 -0.877 -0.945) 1.587 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 13.548 12.664 7.171) 19.883 1.924 ( 19.442 12.286 -4.813) 23.497 2.227 ( 4.755 13.950 10.769) 18.253 2.405 ( 1.024 1.198 -8.017) 8.171 2.634 ( 8.641 -2.905 -1.071) 9.179 2.722 ( 5.399 -8.172 1.131) 9.860 2.843 ( -0.775 4.537 18.240) 18.812 3.013 ( 0.643 3.118 -2.310) 3.934 3.183 ( 1.055 -0.453 -1.766) 2.107 3.389 ( -6.458 2.948 0.677) 7.131 3.419 ( 2.522 3.695 1.244) 4.643 3.497 ( -1.550 -2.448 0.595) 2.957 3.563 ( -0.222 2.754 8.192) 8.646 3.729 ( -4.857 -1.765 6.626) 8.403 3.882 ( -0.662 0.773 -0.605) 1.184 3.969 ( -2.009 5.217 -7.029) 8.981 4.194 ( 2.472 -2.010 -9.534) 10.052 4.385 ( 0.068 -1.306 2.292) 2.639 4.402 ( -2.544 -3.240 -2.724) 4.939 4.565 ( 5.130 4.884 -4.698) 8.499 4.599 ( 5.442 -1.937 -0.799) 5.831 4.739 ( 5.411 -5.688 -2.882) 8.363 5.424 ( 2.702 0.139 -0.632) 2.778 5.486 ( 4.486 -1.292 -1.376) 4.867 5.735 ( -2.285 -2.903 5.009) 6.224 5.880 ( -1.767 -0.546 -1.958) 2.693 5.978 ( -2.702 -2.333 1.081) 3.730 6.152 ( 0.792 -0.572 -6.428) 6.501 6.333 ( 2.297 3.442 0.850) 4.224 6.479 ( -6.507 -0.752 -0.914) 6.614 6.625 ( 11.275 4.012 -3.806) 12.558 6.795 ( 6.369 0.362 -1.205) 6.492 7.105 ( -1.733 -2.878 5.559) 6.495 7.306 ( 1.188 -1.265 -1.024) 2.015 7.428 ( 4.962 -11.994 2.051) 13.141 7.572 ( 4.103 -9.128 -5.284) 11.317 8.247 ( -1.263 2.665 0.182) 2.955 8.272 ( -0.055 2.212 -1.180) 2.508 8.574 ( 1.075 2.817 3.869) 4.905 8.678 ( 2.161 1.261 -3.255) 4.105 9.662 ( -0.988 7.461 7.071) 10.326 9.772 ( 0.474 5.723 6.978) 9.037 9.898 ( 2.031 13.816 -6.900) 15.576 10.011 ( 4.259 10.983 -4.312) 12.544 10.356 ( -1.792 0.639 1.057) 2.176 10.456 ( 1.611 0.392 -2.984) 3.413 10.972 ( -5.086 -1.554 2.871) 6.044 11.054 ( -2.907 -3.017 -0.486) 4.218 12.112 ( -4.674 -0.119 4.587) 6.549 12.302 ( 0.011 -3.063 -4.517) 5.458 12.502 ( 0.043 -5.605 2.787) 6.260 12.570 ( -0.989 -4.658 1.662) 5.044 13.146 ( -7.748 -2.610 -2.492) 8.548 13.177 ( -1.026 -4.556 2.709) 5.399 13.614 ( -9.464 0.766 1.040) 9.552 13.766 ( -6.266 -0.969 -1.089) 6.433 14.033 ( -6.354 1.533 1.344) 6.673 14.124 ( 5.782 -2.138 2.838) 6.786 14.341 ( 11.119 -0.223 -0.020) 11.121 14.505 ( 13.347 -8.377 -5.959) 16.847 19.171 ( -7.982 12.737 3.713) 15.483 19.413 ( -7.362 13.813 -2.297) 15.819 19.844 ( -4.696 0.221 0.583) 4.737 20.240 ( -1.728 -8.013 -5.855) 10.073 21.416 ( 3.348 1.186 -5.103) 6.217 21.681 ( 3.736 0.622 0.640) 3.841 21.794 ( 8.607 -0.229 -2.105) 8.864 22.130 ( 13.488 -4.503 6.694) 15.717 23.773 ( -0.557 1.662 1.694) 2.437 23.831 ( 1.296 1.029 -1.319) 2.116 24.218 ( -2.654 2.517 1.938) 4.139 24.417 ( 5.467 -2.348 0.783) 6.001 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 12.758 7.646 3.241) 15.223 2.220 ( 8.828 16.254 1.316) 18.543 2.366 ( 5.401 8.023 0.577) 9.689 2.488 ( 9.882 2.944 -9.067) 13.730 2.716 ( -1.399 -8.042 4.305) 9.228 2.859 ( -2.888 7.255 18.098) 19.710 2.870 ( 11.850 -4.114 0.114) 12.544 3.083 ( 3.056 1.785 0.284) 3.550 3.181 ( 0.940 -2.183 -3.047) 3.864 3.240 ( -6.480 2.118 7.001) 9.772 3.466 ( 0.605 -2.807 -6.091) 6.734 3.530 ( 3.667 -1.864 8.327) 9.288 3.617 ( -0.120 0.269 2.801) 2.817 3.711 ( 4.487 2.647 10.603) 11.813 3.886 ( 2.819 0.964 -4.277) 5.212 3.981 ( 6.491 7.626 -9.333) 13.689 4.266 ( 3.399 -2.341 -9.028) 9.926 4.312 ( -1.418 0.687 -5.626) 5.843 4.365 ( -1.352 -5.771 3.658) 6.965 4.631 ( 1.903 -3.465 -1.391) 4.191 4.679 ( 4.404 4.675 -1.858) 6.686 4.859 ( 5.404 1.617 -1.891) 5.949 5.505 ( 5.388 -0.055 -1.447) 5.579 5.576 ( 5.913 -1.865 -3.234) 6.993 5.720 ( -1.721 -3.312 3.103) 4.854 5.841 ( -1.781 -1.639 1.028) 2.630 5.956 ( 0.317 -3.227 1.021) 3.400 6.093 ( -3.394 -4.405 -1.878) 5.869 6.360 ( -2.733 1.819 -0.341) 3.300 6.431 ( 2.617 2.155 -2.679) 4.321 6.741 ( 1.089 2.057 -2.370) 3.321 6.876 ( 2.051 3.041 -3.733) 5.233 7.112 ( 1.193 -1.762 4.846) 5.292 7.316 ( 0.927 -2.289 -0.548) 2.530 7.558 ( 5.990 -8.969 0.780) 10.813 7.632 ( 3.729 -7.999 -4.681) 9.990 8.220 ( -1.241 2.260 -0.158) 2.584 8.271 ( -0.068 1.633 -0.009) 1.635 8.624 ( 2.643 3.054 2.538) 4.770 8.708 ( 1.772 1.891 -1.891) 3.208 9.687 ( 1.557 6.950 6.471) 9.623 9.817 ( 1.599 5.878 9.607) 11.376 9.957 ( 6.268 12.354 -8.045) 16.020 10.059 ( 1.413 11.026 -4.664) 12.055 10.343 ( 0.235 -0.282 2.268) 2.298 10.466 ( 0.271 -0.042 -3.146) 3.158 10.871 ( -5.828 -0.721 2.334) 6.319 10.970 ( -5.442 -2.245 0.049) 5.887 12.039 ( -4.006 -1.483 4.271) 6.041 12.244 ( -3.596 -6.495 -5.302) 9.123 12.516 ( -1.554 -3.980 1.566) 4.551 12.562 ( 0.914 -3.263 2.289) 4.089 12.962 ( -8.248 0.033 -2.438) 8.601 13.156 ( -1.377 -6.314 0.652) 6.495 13.479 ( -5.694 6.686 1.453) 8.901 13.666 ( -4.197 1.253 0.107) 4.381 13.934 ( -3.211 3.302 3.382) 5.714 14.225 ( 3.447 1.646 -2.756) 4.711 14.536 ( 8.157 -6.333 3.169) 10.802 14.711 ( 9.213 -11.074 -6.185) 15.676 19.041 ( -5.858 9.785 0.598) 11.420 19.208 ( -11.959 9.251 1.952) 15.245 19.788 ( -1.450 -0.867 -1.872) 2.522 20.107 ( -9.158 -9.360 -0.357) 13.100 21.512 ( 7.782 5.492 -8.624) 12.849 21.667 ( -2.195 8.849 6.361) 11.116 22.149 ( 23.937 -7.792 -10.847) 27.411 22.404 ( 10.805 -9.843 11.099) 18.353 23.769 ( -0.489 1.830 1.377) 2.342 23.840 ( 0.131 1.983 -2.455) 3.159 24.226 ( 2.441 3.826 3.681) 5.843 24.507 ( 3.237 -2.456 0.572) 4.104 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 6.367 5.460 -1.131) 8.463 2.293 ( -1.341 16.748 6.254) 17.928 2.451 ( 2.527 7.189 -2.001) 7.879 2.501 ( -1.123 6.198 -5.753) 8.531 2.802 ( 1.604 -2.777 8.780) 9.347 2.894 ( 4.636 -1.743 9.396) 10.621 2.997 ( -1.833 -0.057 -0.014) 1.833 3.068 ( 2.372 -0.488 2.955) 3.820 3.210 ( -0.388 -7.181 0.366) 7.200 3.244 ( 1.663 1.376 3.444) 4.064 3.468 ( 2.620 -4.230 -4.147) 6.477 3.599 ( 0.789 1.657 4.054) 4.450 3.654 ( 3.897 -2.308 6.438) 7.872 3.851 ( 3.852 2.455 6.886) 8.263 3.953 ( 5.852 1.042 -8.219) 10.144 4.110 ( 3.653 2.771 -10.243) 11.222 4.191 ( 1.700 0.315 -4.400) 4.728 4.336 ( -3.102 -5.819 3.612) 7.519 4.440 ( 9.589 1.765 -3.365) 10.314 4.651 ( 0.756 -3.800 -1.071) 4.020 4.758 ( 3.494 7.221 -0.050) 8.022 4.910 ( 1.169 3.621 -4.085) 5.583 5.602 ( 4.644 -0.460 -2.402) 5.248 5.665 ( 0.975 -1.401 -0.491) 1.776 5.687 ( 0.672 -3.192 -1.030) 3.421 5.799 ( -2.702 -2.519 2.048) 4.224 6.007 ( 4.698 -2.234 -2.874) 5.943 6.051 ( -1.377 -5.294 2.971) 6.225 6.308 ( -1.807 2.663 1.762) 3.670 6.449 ( -0.457 3.139 -2.700) 4.166 6.694 ( -3.724 0.708 -0.069) 3.791 6.838 ( -3.645 2.034 -4.343) 6.024 7.181 ( 3.868 -1.274 3.479) 5.356 7.333 ( 0.835 -2.239 -2.610) 3.539 7.614 ( -0.064 -6.103 2.389) 6.555 7.686 ( 2.605 -7.446 -4.697) 9.181 8.208 ( -0.119 2.143 1.353) 2.537 8.269 ( 0.188 0.848 -1.566) 1.791 8.676 ( 2.177 3.099 1.084) 3.940 8.732 ( 0.909 2.140 -1.056) 2.553 9.755 ( 3.035 7.295 7.259) 10.729 9.878 ( 0.581 6.113 11.424) 12.970 10.032 ( -1.506 9.329 -5.160) 10.767 10.078 ( 8.001 10.447 -10.079) 16.575 10.375 ( 1.561 -0.702 2.545) 3.066 10.448 ( -0.676 -1.153 -3.612) 3.851 10.779 ( -4.016 0.688 2.132) 4.599 10.864 ( -4.932 0.526 -0.864) 5.035 11.992 ( -2.276 -2.552 5.026) 6.079 12.161 ( -2.809 -7.136 -6.013) 9.745 12.467 ( -3.497 -1.459 4.857) 6.161 12.564 ( -1.373 -3.988 -3.029) 5.193 12.899 ( 2.305 1.466 0.936) 2.888 13.118 ( -3.360 -5.032 0.566) 6.077 13.412 ( -1.012 4.876 0.502) 5.005 13.567 ( -6.056 0.811 -0.114) 6.111 13.945 ( 1.917 5.679 7.097) 9.289 14.241 ( -0.016 5.096 -6.511) 8.268 14.663 ( 3.604 -10.190 5.278) 12.029 14.818 ( 4.355 -9.824 -7.008) 12.829 18.964 ( -1.843 6.647 -1.398) 7.038 19.014 ( -8.290 6.862 2.665) 11.087 19.777 ( 0.550 -5.035 0.134) 5.067 19.936 ( -7.877 -8.840 0.581) 11.855 21.627 ( 1.564 10.526 0.711) 10.665 21.651 ( 3.190 9.808 -3.088) 10.766 22.554 ( 20.184 -11.493 -12.879) 26.559 22.570 ( 2.474 -12.630 12.085) 17.654 23.761 ( -0.876 2.347 1.782) 3.075 23.823 ( -0.701 3.315 -3.181) 4.647 24.317 ( 5.109 2.819 4.386) 7.299 24.536 ( -0.063 -1.347 -1.379) 1.928 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -3.500 11.725 6.452) 13.833 2.224 ( -3.697 7.635 2.377) 8.809 2.456 ( -1.920 8.162 1.338) 8.491 2.526 ( 3.602 10.787 -4.386) 12.189 2.853 ( 1.436 -0.464 6.916) 7.079 2.896 ( 0.269 0.642 1.923) 2.045 3.060 ( -1.077 -5.207 4.007) 6.658 3.129 ( 4.570 -6.105 0.120) 7.627 3.189 ( 0.505 -4.643 -0.351) 4.683 3.231 ( -1.329 -4.453 -1.467) 4.873 3.496 ( -3.783 1.198 6.278) 7.427 3.639 ( 5.548 2.731 -5.087) 8.007 3.749 ( 2.165 -2.977 8.356) 9.131 3.853 ( -5.333 1.814 6.117) 8.316 4.002 ( -1.594 -0.188 -10.324) 10.448 4.051 ( 1.232 0.151 -8.636) 8.725 4.266 ( -4.736 -3.640 3.193) 6.773 4.311 ( 5.179 -3.378 -1.685) 6.409 4.585 ( 5.037 2.716 0.109) 5.724 4.616 ( -5.238 1.592 -3.227) 6.355 4.806 ( 1.120 4.103 2.353) 4.860 4.893 ( -0.814 4.690 -5.664) 7.398 5.604 ( -4.498 -0.549 2.601) 5.225 5.657 ( -0.505 -0.213 0.332) 0.641 5.692 ( -1.595 -1.903 2.344) 3.414 5.811 ( 4.839 -2.961 -6.102) 8.332 6.026 ( -2.727 -4.855 2.139) 5.965 6.098 ( 5.444 -4.349 -4.472) 8.280 6.327 ( 2.499 4.667 3.698) 6.457 6.400 ( -2.688 4.621 -3.452) 6.363 6.673 ( 1.788 -0.018 3.064) 3.547 6.748 ( -3.619 0.370 -3.939) 5.362 7.256 ( 2.683 -1.456 2.430) 3.902 7.320 ( -1.187 -1.701 -4.041) 4.542 7.602 ( -1.890 -6.674 4.534) 8.286 7.696 ( 0.334 -6.782 -4.519) 8.157 8.213 ( -0.330 2.084 2.051) 2.943 8.277 ( 1.766 1.228 -3.739) 4.313 8.714 ( 1.304 2.286 0.636) 2.707 8.726 ( -1.211 2.683 -0.780) 3.046 9.830 ( 1.471 7.772 8.579) 11.669 9.874 ( -4.430 8.237 10.462) 14.033 9.996 ( -0.029 7.106 -4.409) 8.363 10.162 ( 2.643 8.018 -12.153) 14.798 10.392 ( -0.002 -2.055 1.925) 2.816 10.444 ( 1.212 -1.145 -3.225) 3.630 10.751 ( 0.611 2.743 2.226) 3.585 10.804 ( 0.376 2.121 -2.841) 3.566 11.982 ( -0.591 -3.339 6.452) 7.289 12.107 ( -0.944 -6.732 -5.520) 8.757 12.432 ( -1.585 -0.604 6.277) 6.502 12.531 ( -0.228 -3.113 -3.322) 4.558 12.997 ( 4.800 -0.589 2.404) 5.400 13.028 ( -4.556 -2.083 -0.649) 5.052 13.441 ( 1.863 1.756 1.739) 3.095 13.459 ( -3.246 1.005 -0.204) 3.405 14.017 ( 2.588 6.212 8.386) 10.752 14.197 ( -1.748 6.927 -8.702) 11.259 14.703 ( -1.272 -11.073 6.366) 12.835 14.848 ( 1.371 -9.006 -7.642) 11.891 18.906 ( -2.985 6.450 3.527) 7.934 18.981 ( 3.792 4.877 -3.712) 7.207 19.764 ( -4.385 -6.850 6.347) 10.317 19.871 ( 3.288 -8.405 -4.008) 9.875 21.577 ( -5.240 11.071 6.893) 14.054 21.748 ( 5.892 11.609 -9.580) 16.163 22.536 ( -9.324 -12.090 12.613) 19.804 22.824 ( 10.945 -14.965 -14.968) 23.828 23.745 ( -1.405 3.674 3.150) 5.040 23.807 ( 0.147 3.440 -2.950) 4.534 24.416 ( 2.184 0.827 4.510) 5.078 24.511 ( -0.162 -0.119 -4.722) 4.727 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -6.471 12.030 5.589) 14.759 2.203 ( -3.148 8.881 10.470) 14.085 2.385 ( -5.094 8.961 2.752) 10.669 2.548 ( -0.707 12.990 -5.024) 13.946 2.872 ( 0.096 -5.788 -0.797) 5.843 2.959 ( -6.907 -6.722 1.680) 9.783 2.999 ( 5.547 -0.362 3.041) 6.336 3.140 ( -3.015 -1.867 -1.298) 3.776 3.211 ( 1.807 -7.807 -0.691) 8.043 3.278 ( 2.568 -4.285 1.177) 5.133 3.375 ( -7.301 1.802 1.268) 7.626 3.693 ( -4.255 4.234 -1.091) 6.101 3.737 ( -4.166 1.499 7.840) 9.004 3.794 ( 1.418 1.897 4.522) 5.105 3.919 ( -3.127 0.755 -6.498) 7.250 4.043 ( -0.480 -1.858 -7.747) 7.981 4.144 ( -7.567 0.694 1.781) 7.805 4.373 ( -0.036 -8.925 -1.186) 9.003 4.447 ( -7.723 5.748 -3.574) 10.269 4.633 ( 0.442 0.510 0.919) 1.141 4.780 ( -4.084 3.085 -1.263) 5.272 4.867 ( -0.985 3.151 -0.862) 3.412 5.521 ( -4.758 -0.709 4.453) 6.555 5.581 ( -5.595 -0.839 4.510) 7.235 5.728 ( 3.506 -0.390 -2.677) 4.428 5.882 ( 3.177 -2.688 -4.739) 6.307 5.973 ( -1.847 -2.665 0.202) 3.249 6.162 ( 2.261 -6.234 -6.768) 9.476 6.338 ( -0.502 2.291 -0.353) 2.372 6.398 ( 0.135 3.260 1.598) 3.633 6.703 ( 0.843 1.075 -0.899) 1.635 6.757 ( 4.161 1.979 2.977) 5.486 7.265 ( -2.875 -0.686 -4.155) 5.099 7.297 ( 1.105 -2.499 0.680) 2.815 7.575 ( -2.612 -8.692 5.209) 10.464 7.670 ( -2.437 -7.894 -2.423) 8.609 8.207 ( -0.335 2.906 0.241) 2.935 8.309 ( 2.402 1.951 -4.117) 5.150 8.692 ( -1.839 3.397 -0.498) 3.894 8.722 ( -0.624 1.721 0.091) 1.833 9.790 ( -5.272 7.482 5.302) 10.578 9.851 ( -3.406 10.302 10.668) 15.216 10.001 ( 1.719 7.160 -3.363) 8.095 10.102 ( -4.124 5.217 -8.601) 10.872 10.414 ( 1.720 0.391 -2.124) 2.761 10.446 ( 0.149 -0.163 -3.258) 3.266 10.800 ( 4.155 1.003 0.626) 4.319 10.873 ( 6.014 0.924 -2.228) 6.480 12.010 ( 1.310 -3.859 7.432) 8.476 12.097 ( 1.641 -6.237 -3.991) 7.585 12.449 ( 0.893 -2.293 7.479) 7.874 12.538 ( 1.374 -4.018 -1.554) 4.522 12.921 ( -3.725 0.812 -1.046) 3.953 13.104 ( 3.286 -3.102 1.918) 4.909 13.403 ( 0.170 3.647 1.215) 3.848 13.542 ( 5.604 0.790 2.081) 6.030 14.064 ( -0.768 5.551 2.671) 6.207 14.147 ( -0.029 6.716 -4.463) 8.064 14.653 ( -5.787 -9.179 5.797) 12.303 14.822 ( -2.088 -10.162 -6.917) 12.469 18.919 ( 3.537 8.537 2.144) 9.486 19.089 ( 8.284 5.261 -3.750) 10.506 19.710 ( -2.281 -3.949 5.602) 7.224 19.971 ( 6.796 -9.885 -1.843) 12.137 21.481 ( -6.527 9.018 5.927) 12.611 21.806 ( 3.091 11.521 -9.132) 15.023 22.306 ( -17.415 -9.398 10.187) 22.257 22.860 ( -2.568 -15.757 -14.773) 21.751 23.741 ( 0.197 4.554 3.276) 5.613 23.806 ( 0.210 2.232 -1.219) 2.552 24.381 ( -4.289 1.875 -1.130) 4.816 24.541 ( 2.291 -2.514 -2.486) 4.213 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -7.417 13.285 2.240) 15.380 2.108 ( -11.442 9.477 9.893) 17.849 2.277 ( -8.111 8.857 7.650) 14.239 2.498 ( -1.813 12.868 -6.673) 14.608 2.760 ( -9.723 -6.963 2.922) 12.311 2.824 ( -8.501 -6.733 -0.821) 10.876 2.996 ( -6.899 -4.268 8.777) 11.952 3.129 ( -2.132 -2.644 -1.057) 3.557 3.211 ( 2.716 -1.264 -10.158) 10.591 3.297 ( -1.295 4.517 5.096) 6.932 3.331 ( 2.777 -0.478 2.008) 3.460 3.613 ( -1.579 2.134 3.201) 4.159 3.671 ( -3.110 3.090 1.960) 4.802 3.821 ( -2.053 3.958 -1.549) 4.720 3.840 ( -2.385 2.523 0.446) 3.500 3.987 ( 0.247 -0.867 -13.066) 13.097 4.093 ( 0.029 -0.305 6.074) 6.082 4.219 ( -8.092 -1.127 1.169) 8.253 4.447 ( 2.697 -4.300 -3.248) 6.026 4.631 ( -0.568 -4.730 -0.157) 4.767 4.676 ( -4.893 5.171 -2.060) 7.411 4.837 ( -2.634 0.475 -0.386) 2.704 5.447 ( -4.213 -0.399 3.735) 5.644 5.494 ( -4.615 -0.453 4.025) 6.140 5.782 ( 2.408 -0.569 -1.660) 2.980 5.882 ( -0.051 -0.612 -4.844) 4.883 6.005 ( 4.125 -2.840 -2.417) 5.561 6.131 ( -3.116 -5.182 -4.713) 7.667 6.347 ( 0.160 0.099 0.826) 0.847 6.379 ( -0.270 0.213 2.050) 2.079 6.714 ( -2.009 4.150 -0.003) 4.611 6.815 ( 0.337 2.580 2.174) 3.391 7.205 ( -1.499 -0.715 -3.504) 3.878 7.311 ( 0.250 -3.806 -0.276) 3.824 7.525 ( -4.246 -10.615 5.272) 12.590 7.576 ( -6.343 -9.552 -1.080) 11.517 8.210 ( 0.718 3.743 -0.327) 3.825 8.331 ( 1.065 2.333 -4.495) 5.175 8.660 ( -1.540 3.226 -0.231) 3.582 8.695 ( -1.799 1.468 -1.123) 2.579 9.715 ( -3.921 7.993 5.060) 10.240 9.800 ( -3.697 10.751 6.603) 13.148 9.992 ( -3.159 4.344 -6.041) 8.084 10.024 ( -0.365 9.594 -2.810) 10.004 10.409 ( -0.337 1.441 -3.958) 4.226 10.456 ( 0.809 0.922 -2.581) 2.858 10.906 ( 6.289 -1.358 -0.788) 6.482 10.973 ( 4.466 -1.419 -0.595) 4.724 12.072 ( 2.962 -3.014 4.686) 6.310 12.153 ( 4.658 -5.021 -0.168) 6.851 12.481 ( -0.416 -6.069 5.437) 8.159 12.568 ( 1.557 -5.722 1.599) 6.142 12.920 ( 4.748 1.922 1.243) 5.271 13.134 ( -0.021 -4.751 2.586) 5.409 13.483 ( 7.251 5.647 0.774) 9.223 13.650 ( 4.280 1.243 1.651) 4.752 14.029 ( -0.343 4.818 -4.651) 6.706 14.156 ( -0.221 3.860 2.499) 4.604 14.517 ( -10.114 -5.884 4.924) 12.695 14.714 ( -7.289 -10.979 -6.100) 14.522 19.051 ( 9.614 12.302 -0.629) 15.626 19.253 ( 8.777 8.429 -2.061) 12.343 19.724 ( 2.613 -1.543 4.280) 5.247 20.091 ( 5.034 -9.517 0.947) 10.808 21.383 ( -4.576 5.126 3.917) 7.910 21.812 ( -0.192 7.388 -7.257) 10.357 21.978 ( -17.417 -4.535 5.654) 18.865 22.650 ( -14.273 -12.291 -12.478) 22.594 23.765 ( 1.149 2.942 1.804) 3.637 23.803 ( -0.410 1.648 0.696) 1.835 24.297 ( -3.145 2.220 -2.829) 4.778 24.537 ( -2.272 -4.120 -2.505) 5.330 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -16.571 13.181 4.051) 21.558 1.834 ( -14.903 12.122 -1.467) 19.266 2.174 ( -4.688 12.016 12.715) 18.111 2.451 ( -0.464 11.803 -8.861) 14.766 2.594 ( -7.163 -5.083 4.771) 9.995 2.719 ( -2.700 -8.533 1.706) 9.111 2.826 ( -11.699 -2.017 9.959) 15.496 3.081 ( -0.822 -5.317 2.547) 5.953 3.185 ( -3.790 5.475 -2.027) 6.961 3.311 ( 2.489 4.174 -2.389) 5.415 3.409 ( 2.701 0.903 3.304) 4.362 3.626 ( -0.451 3.428 -6.054) 6.971 3.686 ( 5.427 1.208 -1.234) 5.695 3.752 ( -4.370 3.989 5.633) 8.169 3.895 ( 9.219 2.160 2.388) 9.765 3.935 ( -4.863 -1.544 -6.284) 8.095 4.063 ( -1.605 -1.493 -1.862) 2.876 4.223 ( 5.076 0.969 8.189) 9.683 4.491 ( 2.528 -4.365 -3.104) 5.923 4.574 ( -6.541 4.370 -4.374) 9.001 4.620 ( 0.112 -8.978 -2.329) 9.276 4.746 ( -5.248 -1.877 -4.590) 7.220 5.391 ( -1.845 -0.197 2.538) 3.144 5.443 ( -2.071 0.004 2.680) 3.387 5.806 ( 0.050 -0.069 1.953) 1.955 5.885 ( 2.309 0.206 -7.837) 8.173 6.020 ( -2.437 -2.599 -0.157) 3.566 6.097 ( 1.539 -0.480 -1.595) 2.268 6.324 ( -0.633 0.801 1.213) 1.586 6.460 ( 6.337 -1.460 0.851) 6.558 6.593 ( -8.681 4.408 -0.594) 9.754 6.777 ( -4.934 0.852 0.438) 5.027 7.184 ( -0.702 -2.062 -0.153) 2.183 7.289 ( -2.789 -3.998 -1.565) 5.120 7.446 ( -4.728 -11.473 5.530) 13.585 7.490 ( -0.755 -10.054 -2.348) 10.352 8.228 ( 1.035 3.734 0.180) 3.879 8.324 ( -0.352 2.511 -4.145) 4.859 8.618 ( -3.090 2.671 1.761) 4.448 8.661 ( -0.601 1.027 -3.727) 3.913 9.677 ( -1.967 8.191 6.664) 10.741 9.764 ( -1.733 9.810 3.918) 10.705 9.935 ( -0.360 6.339 -5.568) 8.445 9.985 ( -2.683 11.604 -3.652) 12.457 10.402 ( 0.624 1.307 -2.805) 3.157 10.444 ( -0.950 1.290 -2.537) 3.000 11.009 ( 3.979 -2.220 -0.616) 4.598 11.039 ( 2.480 -2.509 0.805) 3.619 12.142 ( 2.639 -0.704 3.687) 4.588 12.240 ( 3.364 -2.174 -0.339) 4.019 12.482 ( 0.042 -7.122 3.779) 8.063 12.586 ( -0.274 -6.964 0.995) 7.040 13.079 ( 6.443 -1.611 3.514) 7.514 13.174 ( 5.449 -6.904 4.456) 9.859 13.616 ( 3.969 2.291 -0.828) 4.657 13.740 ( 7.680 1.841 1.772) 8.093 14.072 ( 5.383 2.252 -2.570) 6.376 14.134 ( -2.221 0.976 1.597) 2.904 14.304 ( -12.847 -1.161 3.920) 13.482 14.508 ( -11.694 -8.651 -6.037) 15.749 19.256 ( 11.137 15.834 -3.711) 19.711 19.361 ( 1.710 13.188 1.463) 13.379 19.859 ( 10.441 -2.076 1.312) 10.726 20.133 ( -1.659 -6.427 2.563) 7.116 21.363 ( 2.566 -0.020 0.477) 2.610 21.650 ( -12.549 -6.325 1.804) 14.168 21.839 ( 0.941 7.367 -4.569) 8.719 22.277 ( -19.970 -5.834 -7.517) 22.121 23.784 ( 0.262 1.020 0.656) 1.241 23.799 ( -0.209 1.944 1.481) 2.453 24.263 ( 0.720 1.037 -2.144) 2.488 24.443 ( -6.334 -3.346 -1.858) 7.401 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -3.102 14.886 6.189) 16.417 1.957 ( 1.831 9.061 -5.243) 10.627 2.276 ( -3.171 -8.644 4.359) 10.187 2.364 ( 2.833 -10.201 -3.667) 11.204 2.441 ( -2.283 7.834 9.270) 12.350 2.570 ( 1.577 -2.437 -1.111) 3.108 2.886 ( 2.096 5.812 8.099) 10.187 3.004 ( 2.977 -5.025 0.500) 5.862 3.315 ( -5.706 11.955 6.724) 14.856 3.466 ( 1.052 4.561 -6.476) 7.991 3.523 ( 0.954 0.402 0.544) 1.170 3.527 ( -1.511 -2.422 0.399) 2.882 3.695 ( -9.214 2.439 7.628) 12.208 3.761 ( -6.526 -3.583 7.042) 10.248 3.846 ( 4.753 3.448 -4.221) 7.232 3.957 ( 2.329 -5.853 -7.382) 9.704 4.239 ( 7.085 2.341 3.440) 8.216 4.307 ( 2.496 -4.784 2.296) 5.865 4.396 ( -1.698 1.114 -5.201) 5.583 4.443 ( 6.904 -3.266 -6.102) 9.776 4.530 ( -0.963 2.586 -0.736) 2.856 4.612 ( -3.115 -3.557 -8.501) 9.728 5.382 ( 1.452 -0.844 0.450) 1.738 5.391 ( 0.007 -1.493 -0.456) 1.561 5.792 ( -4.574 1.935 5.265) 7.238 5.848 ( -2.572 -3.076 1.489) 4.277 6.103 ( 2.143 3.594 -5.116) 6.609 6.130 ( 3.382 0.887 -6.146) 7.071 6.450 ( -0.795 4.740 2.318) 5.336 6.493 ( 3.437 2.882 -1.580) 4.756 6.591 ( 0.407 -3.857 0.148) 3.881 6.596 ( -0.492 -2.537 -0.331) 2.605 7.102 ( -3.223 0.235 5.042) 5.988 7.167 ( -0.355 -5.533 1.290) 5.693 7.277 ( 1.225 0.021 -1.227) 1.734 7.346 ( 3.330 -6.003 -5.216) 8.622 8.318 ( -0.107 2.615 0.249) 2.629 8.336 ( -1.278 0.927 -1.565) 2.223 8.602 ( -1.069 1.001 1.147) 1.860 8.633 ( 0.530 -1.878 -1.833) 2.677 9.799 ( -1.612 4.265 7.130) 8.463 9.839 ( -1.727 0.791 3.946) 4.379 10.123 ( 1.341 5.973 -1.536) 6.311 10.141 ( 1.105 5.062 -3.945) 6.512 10.436 ( -0.710 2.243 -2.860) 3.703 10.450 ( 0.741 0.825 -3.946) 4.099 10.987 ( -1.041 -1.302 2.123) 2.699 11.008 ( 0.080 -3.051 0.111) 3.054 12.197 ( -1.575 2.015 2.696) 3.716 12.246 ( 0.817 -2.252 -1.985) 3.112 12.410 ( 0.704 -1.448 5.293) 5.533 12.448 ( 1.290 -4.674 1.814) 5.177 13.123 ( 1.183 0.265 3.980) 4.161 13.162 ( 1.409 -3.370 1.003) 3.787 13.663 ( -0.072 0.276 1.614) 1.639 13.722 ( -3.491 -4.897 -3.227) 6.825 14.120 ( -3.368 1.738 3.921) 5.453 14.141 ( -1.699 -0.080 3.603) 3.984 14.236 ( 3.048 1.783 -4.145) 5.445 14.273 ( 2.811 -1.701 -6.079) 6.910 19.575 ( -6.383 11.027 8.163) 15.132 19.701 ( -0.597 3.198 0.268) 3.264 19.913 ( 1.737 2.255 -1.498) 3.217 20.052 ( 7.436 -6.943 -10.443) 14.579 21.404 ( 0.041 -0.891 -0.900) 1.267 21.420 ( 4.322 -2.341 -2.424) 5.480 21.934 ( -2.779 0.983 0.384) 2.973 21.941 ( -4.145 0.267 -0.308) 4.165 23.811 ( -0.260 1.105 1.648) 2.001 23.822 ( 0.290 0.138 0.631) 0.708 24.294 ( -0.453 -0.157 -0.206) 0.522 24.300 ( -0.303 -0.697 -0.783) 1.091 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 8.871 13.834 6.186) 17.560 2.142 ( 16.018 2.584 -2.331) 16.392 2.284 ( 3.411 -2.507 1.904) 4.642 2.450 ( 7.477 -4.878 2.226) 9.201 2.524 ( 6.875 3.521 3.281) 8.392 2.634 ( 4.426 -2.878 -1.594) 5.515 2.967 ( 3.655 5.250 4.118) 7.608 3.060 ( 3.334 -2.216 -6.712) 7.815 3.232 ( -5.866 8.152 8.706) 13.291 3.400 ( -4.975 -5.374 6.512) 9.800 3.472 ( -8.414 3.107 3.836) 9.756 3.497 ( -2.803 1.189 1.137) 3.250 3.644 ( 3.223 3.668 4.407) 6.578 3.691 ( -1.446 -1.402 5.884) 6.219 3.904 ( 1.160 2.696 -1.699) 3.392 3.997 ( 3.847 -3.673 -5.713) 7.806 4.171 ( -2.241 1.250 -6.760) 7.231 4.259 ( -3.391 -7.148 -2.212) 8.215 4.418 ( -1.244 4.427 -5.648) 7.283 4.539 ( -1.419 -5.600 -8.111) 9.958 4.646 ( 12.672 3.122 -0.886) 13.081 4.685 ( 12.128 -0.318 -0.116) 12.133 5.420 ( 3.339 -0.140 -1.495) 3.661 5.440 ( 4.214 -2.177 -1.144) 4.879 5.724 ( -3.820 1.929 6.963) 8.173 5.803 ( -3.022 -4.977 5.573) 8.060 6.024 ( -5.657 5.007 -5.104) 9.117 6.118 ( -4.601 -3.088 -5.425) 7.755 6.403 ( 1.955 2.761 -2.385) 4.139 6.450 ( -3.260 -1.854 -2.382) 4.443 6.709 ( 9.677 4.148 -0.764) 10.557 6.784 ( 9.008 -2.140 -0.699) 9.285 7.092 ( 0.071 2.240 5.344) 5.795 7.203 ( 1.180 -7.840 4.664) 9.198 7.321 ( 6.041 1.852 -5.471) 8.358 7.408 ( 5.324 -6.171 -6.797) 10.613 8.301 ( -1.647 1.917 0.119) 2.530 8.311 ( -0.919 1.031 0.865) 1.630 8.615 ( 1.832 1.760 1.648) 3.028 8.659 ( 2.359 -2.143 -0.977) 3.333 9.796 ( -0.636 4.670 6.890) 8.348 9.842 ( 0.321 0.550 6.253) 6.286 10.133 ( 1.743 7.494 -3.325) 8.382 10.190 ( 4.053 3.338 -3.362) 6.235 10.400 ( -2.150 3.595 -1.952) 4.621 10.455 ( 0.546 -0.692 -3.805) 3.905 10.942 ( -4.032 -0.555 2.243) 4.648 10.977 ( -3.191 -3.606 0.783) 4.879 12.130 ( -5.142 2.117 2.036) 5.922 12.206 ( -4.127 -4.859 -0.829) 6.429 12.444 ( 1.726 -0.133 1.077) 2.038 12.482 ( 1.103 -3.376 1.026) 3.696 13.098 ( -5.021 -0.831 0.007) 5.089 13.114 ( -4.176 -1.988 -1.011) 4.735 13.648 ( -1.014 2.605 2.062) 3.473 13.718 ( -0.249 -3.480 2.251) 4.153 14.054 ( -4.235 0.627 2.385) 4.901 14.073 ( -0.146 -1.636 4.229) 4.537 14.358 ( 7.700 1.473 -3.171) 8.457 14.400 ( 9.091 -2.754 -5.936) 11.201 19.422 ( -10.629 10.303 6.097) 16.009 19.562 ( -12.118 -1.197 4.353) 12.932 19.905 ( -2.385 6.467 -6.379) 9.392 20.069 ( -3.530 -8.150 -7.257) 11.470 21.473 ( 8.640 4.267 -5.737) 11.215 21.588 ( 12.993 -6.173 -5.635) 15.449 21.889 ( 1.235 6.261 4.764) 7.964 22.019 ( 6.718 -5.889 5.825) 10.665 23.811 ( -0.065 1.758 1.204) 2.132 23.837 ( 0.973 -0.504 0.352) 1.150 24.281 ( 0.820 3.345 0.341) 3.461 24.354 ( 3.891 -3.430 0.131) 5.189 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 8.353 10.284 4.838) 14.104 2.344 ( 5.685 -9.082 3.025) 11.133 2.510 ( 16.169 9.482 -3.205) 19.017 2.597 ( 4.877 5.676 5.857) 9.503 2.659 ( 0.506 1.825 -3.914) 4.348 2.732 ( 11.571 -6.577 1.062) 13.351 3.009 ( -1.223 2.422 0.017) 2.714 3.093 ( 0.586 -4.361 -4.795) 6.508 3.139 ( -3.843 6.791 5.903) 9.784 3.298 ( -6.860 -3.821 8.310) 11.433 3.387 ( -1.753 2.514 1.836) 3.573 3.477 ( 0.488 -3.779 11.378) 11.999 3.708 ( 1.961 5.793 -0.430) 6.131 3.764 ( 5.859 0.901 4.695) 7.561 3.922 ( 2.788 3.366 -0.560) 4.406 4.060 ( 3.813 -5.352 -3.217) 7.317 4.166 ( 1.061 -1.458 -8.109) 8.307 4.216 ( 0.653 -3.163 -9.582) 10.111 4.401 ( 2.961 4.726 -1.820) 5.867 4.516 ( 1.864 -5.805 -3.024) 6.806 4.827 ( 7.161 6.310 -1.427) 9.651 4.893 ( 8.236 0.206 -1.887) 8.452 5.497 ( 4.712 -0.262 -2.183) 5.200 5.520 ( 4.386 -2.634 -2.742) 5.804 5.700 ( -0.968 1.494 5.951) 6.212 5.772 ( -2.053 -4.624 5.175) 7.237 5.928 ( -2.083 1.601 -1.580) 3.066 5.997 ( -4.969 -4.283 -2.305) 6.953 6.409 ( -0.612 2.552 -2.696) 3.763 6.451 ( 2.353 -0.827 -4.087) 4.788 6.800 ( -0.007 3.906 -0.267) 3.916 6.882 ( 0.654 -2.736 -1.814) 3.347 7.126 ( 2.167 3.387 4.093) 5.738 7.228 ( 1.228 -5.478 1.881) 5.921 7.459 ( 7.908 -0.514 -4.250) 8.993 7.503 ( 5.995 -4.248 -6.550) 9.843 8.273 ( -1.315 2.224 0.553) 2.642 8.295 ( -1.069 0.231 1.317) 1.713 8.670 ( 2.932 1.777 1.616) 3.790 8.706 ( 2.439 -1.434 -0.153) 2.834 9.827 ( 1.726 5.449 7.061) 9.084 9.887 ( 1.947 0.207 8.375) 8.601 10.179 ( 3.997 7.854 -3.729) 9.569 10.258 ( 3.563 4.116 -5.551) 7.775 10.343 ( -3.135 2.191 0.846) 3.917 10.438 ( -1.169 -2.968 -4.920) 5.864 10.865 ( -4.166 0.681 1.860) 4.613 10.909 ( -3.560 -3.103 0.954) 4.817 12.037 ( -4.583 1.584 1.070) 4.966 12.111 ( -4.676 -5.318 -2.069) 7.377 12.464 ( -0.075 -0.466 0.060) 0.475 12.495 ( 0.157 -2.899 0.330) 2.922 12.983 ( -4.694 2.138 -0.769) 5.215 13.049 ( -2.424 -4.037 0.211) 4.713 13.603 ( -4.913 4.736 0.991) 6.895 13.667 ( -4.626 -1.324 0.664) 4.858 14.024 ( 0.980 5.623 5.826) 8.156 14.168 ( 5.823 -6.900 5.235) 10.436 14.465 ( 4.415 1.244 -2.995) 5.478 14.544 ( 7.396 -5.499 -7.146) 11.662 19.236 ( -9.534 7.877 2.535) 12.625 19.325 ( -12.598 0.590 2.332) 12.825 19.799 ( -5.888 3.011 -2.397) 7.034 19.921 ( -8.716 -7.860 -2.184) 11.938 21.661 ( 12.087 8.285 -8.220) 16.802 21.798 ( 7.109 -0.594 -0.277) 7.139 22.029 ( 13.379 0.940 -1.964) 13.555 22.187 ( 7.327 -10.258 8.269) 15.076 23.816 ( 0.137 2.463 1.214) 2.749 23.855 ( 0.709 -0.766 -0.190) 1.061 24.323 ( 3.044 5.146 1.134) 6.086 24.430 ( 3.566 -4.630 -0.039) 5.845 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 5.688 8.223 1.747) 10.151 2.442 ( 2.046 -6.558 0.314) 6.877 2.586 ( -2.619 6.750 3.548) 8.063 2.630 ( -0.653 5.156 5.613) 7.649 2.812 ( 10.431 5.750 -2.987) 12.279 2.916 ( 2.645 -0.008 7.782) 8.219 2.961 ( 1.761 -1.576 -5.478) 5.966 3.038 ( -3.230 -4.718 -0.474) 5.737 3.115 ( -1.988 1.541 1.202) 2.788 3.206 ( -5.166 -5.110 2.664) 7.739 3.449 ( 6.741 4.337 4.034) 8.974 3.560 ( 3.702 -4.270 10.351) 11.793 3.726 ( 0.095 6.514 0.722) 6.554 3.858 ( 1.586 -3.457 2.851) 4.753 3.994 ( 3.818 2.745 -3.943) 6.137 4.092 ( -1.483 -7.150 -3.721) 8.195 4.160 ( 3.080 0.782 -7.591) 8.230 4.195 ( 0.429 -2.614 -6.652) 7.160 4.529 ( 8.402 4.084 -0.892) 9.385 4.596 ( 5.717 -2.360 -0.849) 6.243 4.924 ( 3.136 7.032 -0.306) 7.705 4.983 ( 2.493 1.719 -2.955) 4.232 5.570 ( 3.350 -1.868 -2.407) 4.528 5.583 ( 2.717 -3.591 -2.118) 4.976 5.698 ( -0.825 2.312 3.147) 3.991 5.752 ( -1.089 -2.169 2.048) 3.175 5.933 ( 0.637 -2.843 1.655) 3.351 5.949 ( 1.064 -3.305 -2.023) 4.019 6.397 ( 0.306 4.667 0.400) 4.694 6.471 ( 1.076 -1.641 -1.359) 2.387 6.737 ( -5.119 3.608 -1.263) 6.389 6.820 ( -5.069 -3.331 -3.148) 6.834 7.190 ( 2.868 2.212 2.747) 4.546 7.260 ( 1.332 -4.017 0.001) 4.232 7.548 ( 1.952 -0.564 -1.952) 2.817 7.575 ( 3.125 -3.114 -5.523) 7.069 8.260 ( -0.078 2.174 0.864) 2.340 8.283 ( -0.211 0.043 0.065) 0.225 8.721 ( 1.741 1.471 1.320) 2.634 8.744 ( 1.304 -0.573 0.231) 1.443 9.900 ( 3.132 5.680 8.119) 10.392 9.960 ( 2.249 0.659 10.386) 10.647 10.222 ( -3.490 7.840 -4.323) 9.609 10.260 ( 4.850 6.985 -7.157) 11.115 10.336 ( -0.381 -3.311 2.180) 3.982 10.389 ( -0.736 -4.635 -6.160) 7.744 10.811 ( -1.560 2.399 0.986) 3.027 10.857 ( -1.920 -1.380 -0.497) 2.416 11.972 ( -2.481 0.868 1.126) 2.859 12.032 ( -2.671 -4.702 -2.733) 6.059 12.448 ( -1.548 0.148 1.598) 2.230 12.485 ( -1.026 -3.182 -1.068) 3.510 12.945 ( 0.646 2.929 0.915) 3.136 13.020 ( -1.186 -4.138 1.046) 4.430 13.507 ( -4.167 3.681 -0.124) 5.562 13.561 ( -5.820 -1.413 -0.131) 5.991 14.097 ( 3.256 8.722 8.387) 12.531 14.276 ( 3.526 -5.242 2.678) 6.862 14.513 ( 1.482 0.414 -1.779) 2.352 14.629 ( 3.855 -7.981 -7.986) 11.931 19.094 ( -5.160 4.847 0.127) 7.080 19.125 ( -8.081 2.490 1.032) 8.519 19.703 ( -3.483 -0.845 0.870) 3.688 19.767 ( -6.289 -6.415 0.023) 8.984 21.851 ( 8.836 9.261 -6.461) 14.338 21.864 ( 0.360 8.529 4.727) 9.758 22.306 ( 14.523 -9.731 -8.776) 19.561 22.314 ( 3.182 -9.995 6.882) 12.545 23.822 ( -0.018 2.992 1.649) 3.416 23.861 ( 0.086 -0.175 -0.662) 0.690 24.390 ( 3.179 4.126 1.584) 5.444 24.479 ( 1.551 -3.825 -1.043) 4.257 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.861 6.037 3.762) 7.353 2.376 ( -6.267 4.504 2.220) 8.030 2.609 ( -1.599 4.141 3.747) 5.809 2.646 ( 5.508 0.088 0.679) 5.551 2.892 ( -2.677 3.211 4.606) 6.220 2.918 ( -2.319 0.909 1.598) 2.959 2.979 ( -1.975 -0.510 -0.809) 2.194 3.028 ( 4.075 -3.279 -3.840) 6.489 3.114 ( 1.032 -2.250 2.432) 3.470 3.128 ( -2.525 -3.782 1.942) 4.945 3.561 ( 0.199 4.884 6.325) 7.994 3.657 ( 4.973 -2.473 1.154) 5.672 3.747 ( 1.915 3.602 5.644) 6.964 3.850 ( -2.457 -3.428 4.540) 6.197 3.998 ( -1.081 -0.122 -12.037) 12.086 4.031 ( -0.692 -2.363 -10.715) 10.994 4.177 ( -1.088 -1.272 1.535) 2.271 4.210 ( 0.787 -3.718 -2.289) 4.436 4.638 ( 1.894 2.000 -0.508) 2.801 4.657 ( -0.445 0.583 -2.039) 2.167 4.940 ( -1.424 6.509 1.899) 6.928 4.989 ( -0.650 2.599 -2.600) 3.733 5.574 ( -3.462 -1.232 2.013) 4.190 5.606 ( -0.780 -3.751 -0.581) 3.875 5.702 ( 0.735 2.690 1.730) 3.281 5.763 ( 3.193 -2.080 -3.166) 4.954 5.937 ( -0.192 -1.818 0.420) 1.875 5.984 ( 2.628 -5.189 -3.603) 6.841 6.434 ( 1.662 4.650 3.331) 5.956 6.480 ( -1.059 1.326 -0.579) 1.794 6.668 ( 0.404 0.687 0.283) 0.846 6.717 ( -2.946 -2.852 -3.749) 5.556 7.240 ( 1.449 0.271 1.652) 2.214 7.270 ( -0.144 -2.426 -1.118) 2.675 7.539 ( -2.127 0.245 0.687) 2.248 7.585 ( -0.468 -3.754 -3.444) 5.116 8.269 ( 0.608 2.421 0.047) 2.497 8.296 ( 1.884 0.032 -2.437) 3.081 8.744 ( 0.217 0.834 1.338) 1.592 8.753 ( -0.502 0.143 0.447) 0.688 9.971 ( 0.391 5.469 9.682) 11.127 10.017 ( -0.268 2.529 12.938) 13.186 10.140 ( -2.199 7.040 -5.451) 9.172 10.256 ( -3.665 -1.343 -6.814) 7.852 10.350 ( 3.451 0.341 -1.697) 3.860 10.400 ( 2.158 -2.789 -5.291) 6.358 10.814 ( 1.320 2.484 -0.388) 2.839 10.836 ( 0.514 0.476 -2.421) 2.520 11.947 ( -0.778 0.189 2.336) 2.470 11.991 ( -0.882 -3.938 -1.887) 4.455 12.427 ( -1.165 0.458 2.973) 3.226 12.463 ( -0.730 -2.881 -0.501) 3.014 12.987 ( 1.799 -0.119 1.177) 2.153 12.996 ( -1.037 -0.956 0.370) 1.458 13.470 ( -0.312 0.862 1.029) 1.378 13.475 ( -1.639 0.353 0.472) 1.742 14.174 ( 1.675 8.407 8.475) 12.055 14.311 ( 0.055 -0.077 -2.095) 2.097 14.519 ( -0.621 -2.041 1.222) 2.458 14.646 ( 0.539 -9.529 -8.412) 12.723 19.032 ( -1.049 4.593 1.252) 4.875 19.064 ( 1.842 1.895 -1.785) 3.189 19.662 ( -1.883 -1.836 3.636) 4.487 19.710 ( 0.982 -5.926 -0.978) 6.086 21.827 ( -5.449 11.760 6.852) 14.660 21.959 ( 3.015 4.254 -4.459) 6.860 22.324 ( -3.334 -3.484 3.784) 6.130 22.497 ( 7.603 -14.790 -11.349) 20.133 23.825 ( -0.268 3.233 2.192) 3.915 23.856 ( -0.312 0.611 -0.762) 1.025 24.441 ( 1.022 1.678 1.690) 2.591 24.484 ( -0.090 -2.101 -2.438) 3.220 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -4.391 8.480 2.437) 9.855 2.371 ( -1.339 2.628 7.733) 8.276 2.584 ( -2.698 9.833 1.359) 10.287 2.735 ( 0.911 0.926 -0.822) 1.537 2.761 ( -9.629 -0.224 -1.731) 9.786 2.818 ( -7.291 -7.174 6.169) 11.945 2.986 ( -1.380 -0.785 2.552) 3.005 3.031 ( -1.852 -6.509 -0.762) 6.810 3.136 ( 3.976 1.604 0.539) 4.321 3.186 ( 5.085 -3.111 3.261) 6.795 3.522 ( -2.634 10.163 -0.879) 10.536 3.712 ( -1.227 -5.032 -0.912) 5.259 3.791 ( -0.638 4.268 4.516) 6.247 3.840 ( 1.032 1.303 6.078) 6.301 3.946 ( -1.048 1.052 -8.413) 8.543 3.985 ( -0.597 -3.453 -7.834) 8.582 4.119 ( -5.084 -0.695 0.848) 5.201 4.184 ( -2.262 -6.829 -2.373) 7.575 4.547 ( -8.398 3.374 -2.163) 9.305 4.601 ( -5.138 -2.160 -1.420) 5.752 4.902 ( -3.285 5.761 2.340) 7.033 4.944 ( -3.533 2.236 0.245) 4.189 5.501 ( -4.015 -0.164 3.118) 5.086 5.542 ( -4.566 -3.063 1.819) 5.791 5.749 ( 3.555 2.682 -1.638) 4.745 5.821 ( 3.103 -3.211 -3.508) 5.678 5.936 ( 0.474 0.317 -1.419) 1.529 6.013 ( 1.326 -6.388 -5.442) 8.496 6.401 ( -3.507 3.130 0.373) 4.716 6.442 ( -3.513 -0.014 1.324) 3.754 6.726 ( 4.796 1.555 -0.188) 5.045 6.763 ( 5.645 -1.282 1.958) 6.111 7.248 ( -1.611 -0.624 -2.222) 2.814 7.253 ( -0.315 -1.340 0.740) 1.563 7.481 ( -4.557 -0.180 2.899) 5.404 7.537 ( -4.003 -4.773 -1.130) 6.331 8.282 ( 1.082 3.527 -1.888) 4.144 8.329 ( 2.292 -0.566 -3.674) 4.367 8.732 ( -1.628 0.779 0.416) 1.852 8.737 ( -1.331 0.115 0.984) 1.659 9.945 ( -4.690 6.734 6.477) 10.454 10.020 ( -3.520 2.166 10.700) 11.471 10.118 ( -0.496 4.788 -1.246) 4.973 10.175 ( -1.705 1.286 -3.162) 3.815 10.400 ( 3.002 -0.482 -5.404) 6.201 10.426 ( 2.292 -1.919 -5.905) 6.618 10.838 ( 2.083 2.268 -1.418) 3.390 10.875 ( 3.358 -0.890 -2.381) 4.212 11.961 ( 1.520 -0.536 3.725) 4.059 11.991 ( 1.590 -3.397 -0.418) 3.774 12.421 ( -0.895 -0.031 4.418) 4.508 12.455 ( -0.273 -3.214 1.227) 3.451 12.960 ( -1.004 2.725 -0.435) 2.937 13.029 ( 1.107 -3.649 0.244) 3.821 13.483 ( 3.218 3.380 2.045) 5.095 13.535 ( 4.949 -1.453 2.175) 5.598 14.199 ( -1.705 6.833 5.088) 8.688 14.276 ( -2.131 2.985 -4.008) 5.433 14.494 ( -2.918 -3.185 3.457) 5.533 14.601 ( -2.536 -9.855 -8.144) 13.033 19.090 ( 6.818 6.751 0.214) 9.597 19.163 ( 8.901 0.504 -2.174) 9.176 19.668 ( 1.439 1.126 3.656) 4.087 19.773 ( 5.136 -8.098 -0.082) 9.589 21.701 ( -9.343 11.473 6.270) 16.070 21.921 ( -6.876 -6.075 1.641) 9.321 22.232 ( -5.422 8.289 -3.533) 10.516 22.519 ( -1.555 -15.943 -11.561) 19.755 23.825 ( -0.469 2.872 2.087) 3.581 23.846 ( -0.586 0.865 -0.021) 1.045 24.420 ( -2.758 2.133 -0.752) 3.567 24.477 ( -0.505 -3.184 -1.308) 3.479 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -3.774 10.951 -1.644) 11.699 2.339 ( -7.651 9.279 9.242) 15.167 2.411 ( -12.703 1.195 0.208) 12.761 2.606 ( -9.789 -6.286 4.613) 12.515 2.632 ( -7.316 -2.349 1.688) 7.867 2.700 ( -5.254 0.153 -1.167) 5.384 2.937 ( -4.968 -1.877 6.548) 8.431 2.984 ( -3.168 -6.296 3.398) 7.825 3.263 ( 8.363 3.920 -2.383) 9.538 3.317 ( 6.792 -1.024 2.862) 7.442 3.490 ( -0.925 10.980 -2.807) 11.370 3.652 ( -2.497 -1.432 -1.840) 3.416 3.765 ( -1.659 4.535 -2.211) 5.311 3.846 ( -2.920 -2.405 -1.955) 4.259 3.887 ( -1.147 4.446 1.435) 4.810 3.989 ( -0.626 0.961 -1.326) 1.754 4.049 ( 0.722 -3.264 2.153) 3.976 4.111 ( -4.970 -8.011 -3.296) 9.987 4.407 ( -3.548 1.958 -1.374) 4.279 4.495 ( -4.220 -5.871 -0.448) 7.244 4.815 ( -5.823 5.379 -0.134) 7.928 4.865 ( -5.509 0.566 0.495) 5.560 5.439 ( -3.594 0.197 2.886) 4.614 5.467 ( -3.660 -1.966 1.993) 4.608 5.813 ( 3.387 2.962 -3.119) 5.475 5.860 ( 2.664 -1.321 -4.326) 5.250 5.957 ( 2.531 -0.819 -3.885) 4.709 6.010 ( 0.975 -5.260 -3.978) 6.667 6.357 ( -1.138 0.944 2.237) 2.682 6.378 ( -2.949 -0.686 2.738) 4.082 6.794 ( 0.281 3.214 0.393) 3.250 6.839 ( 0.201 -0.651 2.165) 2.269 7.209 ( -1.170 1.197 -2.568) 3.066 7.244 ( -0.488 -2.311 0.967) 2.553 7.379 ( -6.769 -2.512 3.763) 8.142 7.419 ( -7.671 -5.355 -0.857) 9.394 8.298 ( 1.149 4.018 -2.170) 4.709 8.353 ( 1.326 -0.745 -3.881) 4.168 8.695 ( -2.286 0.541 -0.310) 2.369 8.701 ( -2.572 -0.232 0.254) 2.595 9.870 ( -4.333 6.520 4.360) 8.960 9.956 ( -5.062 -0.013 5.599) 7.548 10.092 ( -0.805 7.299 -0.218) 7.346 10.172 ( 0.059 2.298 0.351) 2.326 10.426 ( 1.562 0.735 -6.055) 6.296 10.455 ( 2.225 -1.104 -5.503) 6.038 10.893 ( 3.910 0.564 -0.836) 4.038 10.929 ( 2.847 -2.411 -1.140) 3.901 12.033 ( 4.891 -0.409 2.732) 5.617 12.061 ( 5.548 -3.072 1.508) 6.519 12.410 ( -1.810 -0.546 5.343) 5.668 12.454 ( -0.799 -4.363 3.602) 5.714 12.973 ( 2.614 2.991 0.284) 3.982 13.045 ( 0.864 -3.830 0.653) 3.980 13.590 ( 6.513 4.164 1.893) 7.958 13.650 ( 5.561 -1.375 2.103) 6.102 14.140 ( -3.690 5.596 -2.279) 7.080 14.216 ( -3.801 0.235 -0.453) 3.835 14.423 ( -5.602 -1.499 3.492) 6.770 14.502 ( -5.334 -8.038 -6.606) 11.692 19.283 ( 12.964 8.729 -1.766) 15.728 19.374 ( 13.080 1.169 -2.228) 13.320 19.731 ( 3.488 3.658 4.098) 6.506 19.884 ( 5.575 -9.550 1.085) 11.112 21.529 ( -9.521 8.539 4.482) 13.552 21.727 ( -12.888 -9.544 4.181) 16.573 22.114 ( -5.141 11.943 -7.541) 15.031 22.380 ( -8.985 -12.990 -10.140) 18.769 23.819 ( -0.659 1.954 1.216) 2.393 23.835 ( -0.800 0.624 1.352) 1.691 24.355 ( -3.305 3.376 -1.608) 4.991 24.441 ( -2.942 -4.632 -1.134) 5.603 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -15.429 13.334 2.389) 20.532 2.090 ( -11.333 10.307 -2.190) 15.475 2.331 ( -0.839 -0.914 -1.079) 1.644 2.391 ( -9.411 -9.777 6.768) 15.165 2.545 ( -6.986 -2.656 4.485) 8.716 2.593 ( -4.140 -0.499 -0.597) 4.213 2.863 ( -3.024 3.899 8.505) 9.833 2.964 ( -0.180 -5.290 5.554) 7.672 3.381 ( 2.313 9.465 -4.103) 10.572 3.426 ( 1.453 4.943 4.002) 6.524 3.453 ( 1.664 3.829 -0.025) 4.175 3.615 ( -2.946 -5.241 -3.038) 6.736 3.746 ( 3.001 4.087 -4.217) 6.595 3.801 ( -2.936 0.428 1.447) 3.301 3.894 ( -1.695 -0.090 -7.254) 7.450 3.964 ( -2.722 -2.304 7.427) 8.239 4.021 ( 5.383 3.147 -3.562) 7.181 4.160 ( 7.598 -6.629 4.674) 11.114 4.395 ( 1.391 -1.629 -1.886) 2.854 4.453 ( -1.013 -6.072 0.641) 6.189 4.674 ( -8.946 4.182 -3.460) 10.464 4.729 ( -6.862 -0.909 -4.451) 8.229 5.387 ( -2.136 0.270 1.694) 2.740 5.416 ( -2.279 -2.151 1.099) 3.321 5.838 ( -0.388 2.396 -0.934) 2.601 5.884 ( -0.198 -1.398 -3.536) 3.807 6.001 ( 5.158 2.492 -3.544) 6.737 6.074 ( 5.205 -2.521 -2.054) 6.137 6.353 ( 1.148 1.942 2.117) 3.094 6.407 ( 5.418 -3.030 1.674) 6.429 6.697 ( -9.770 4.719 0.477) 10.861 6.769 ( -7.485 -1.816 0.755) 7.739 7.169 ( -3.839 1.315 1.751) 4.420 7.247 ( -5.374 -1.155 -1.458) 5.686 7.255 ( -1.439 -5.054 4.961) 7.226 7.317 ( 0.172 -6.048 -4.053) 7.282 8.312 ( 0.766 3.670 -1.238) 3.949 8.356 ( 0.013 -0.102 -2.991) 2.992 8.643 ( -3.010 0.264 0.598) 3.080 8.652 ( -1.752 -0.853 -1.701) 2.587 9.818 ( -2.584 5.333 5.352) 7.986 9.882 ( -3.869 0.095 4.032) 5.589 10.095 ( 1.221 7.739 -1.149) 7.918 10.159 ( -1.006 3.012 -1.586) 3.549 10.435 ( 1.227 1.992 -4.676) 5.229 10.463 ( 0.174 -0.020 -4.451) 4.454 10.965 ( 2.993 -1.317 0.016) 3.270 10.978 ( 2.272 -2.491 0.590) 3.423 12.146 ( 5.367 1.120 1.026) 5.578 12.186 ( 5.783 -2.557 0.717) 6.363 12.392 ( -1.290 -0.899 5.782) 5.992 12.445 ( -1.352 -5.406 4.594) 7.223 13.058 ( 4.798 -0.081 2.672) 5.492 13.081 ( 3.057 -2.383 2.665) 4.704 13.679 ( 0.594 3.517 -1.106) 3.735 13.743 ( 3.433 -1.815 0.213) 3.889 14.105 ( 1.403 1.297 -1.277) 2.298 14.133 ( -2.985 -1.144 -0.318) 3.212 14.307 ( -6.886 1.468 1.344) 7.167 14.367 ( -6.568 -4.479 -4.426) 9.099 19.533 ( 11.372 9.566 -1.220) 14.911 19.596 ( 8.563 6.213 -0.906) 10.618 19.827 ( 6.080 1.196 2.360) 6.631 19.967 ( 2.835 -8.957 -0.318) 9.401 21.402 ( -3.740 3.671 1.443) 5.435 21.510 ( -9.380 -6.352 1.922) 11.490 21.995 ( -4.633 7.316 -5.478) 10.247 22.144 ( -11.913 -6.748 -6.229) 15.042 23.811 ( -0.378 1.272 1.164) 1.765 23.824 ( -0.694 0.264 1.531) 1.702 24.300 ( -1.587 2.502 -1.296) 3.234 24.366 ( -4.059 -3.665 -1.046) 5.568 =================== 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 3/28224 10.0 847.549 841.208 855.040 0.000 13.413 0.000 3/28224 20.0 193.087 174.295 179.598 0.000 -13.645 0.000 3/28224 30.0 77.845 68.052 70.473 0.000 -6.725 0.000 3/28224 40.0 42.654 36.998 38.807 0.000 -3.867 0.000 3/28224 50.0 27.860 24.029 25.420 0.000 -2.556 0.000 3/28224 60.0 20.184 17.362 18.440 0.000 -1.855 0.000 3/28224 70.0 15.631 13.444 14.290 0.000 -1.436 0.000 3/28224 80.0 12.674 10.917 11.593 0.000 -1.163 0.000 3/28224 90.0 10.624 9.174 9.723 0.000 -0.974 0.000 3/28224 100.0 9.131 7.908 8.362 0.000 -0.836 0.000 3/28224 110.0 8.003 6.952 7.332 0.000 -0.732 0.000 3/28224 120.0 7.124 6.207 6.529 0.000 -0.651 0.000 3/28224 130.0 6.423 5.611 5.887 0.000 -0.586 0.000 3/28224 140.0 5.852 5.124 5.362 0.000 -0.533 0.000 3/28224 150.0 5.378 4.718 4.927 0.000 -0.489 0.000 3/28224 160.0 4.980 4.376 4.559 0.000 -0.452 0.000 3/28224 170.0 4.641 4.083 4.245 0.000 -0.421 0.000 3/28224 180.0 4.348 3.829 3.974 0.000 -0.394 0.000 3/28224 190.0 4.093 3.607 3.737 0.000 -0.371 0.000 3/28224 200.0 3.870 3.411 3.528 0.000 -0.351 0.000 3/28224 210.0 3.671 3.237 3.343 0.000 -0.333 0.000 3/28224 220.0 3.494 3.081 3.177 0.000 -0.317 0.000 3/28224 230.0 3.335 2.941 3.028 0.000 -0.303 0.000 3/28224 240.0 3.192 2.813 2.893 0.000 -0.290 0.000 3/28224 250.0 3.061 2.697 2.770 0.000 -0.279 0.000 3/28224 260.0 2.941 2.591 2.658 0.000 -0.269 0.000 3/28224 270.0 2.832 2.493 2.556 0.000 -0.259 0.000 3/28224 280.0 2.731 2.403 2.461 0.000 -0.250 0.000 3/28224 290.0 2.637 2.320 2.373 0.000 -0.242 0.000 3/28224 300.0 2.550 2.242 2.292 0.000 -0.235 0.000 3/28224 310.0 2.469 2.170 2.216 0.000 -0.228 0.000 3/28224 320.0 2.394 2.102 2.146 0.000 -0.221 0.000 3/28224 330.0 2.323 2.039 2.080 0.000 -0.215 0.000 3/28224 340.0 2.257 1.979 2.018 0.000 -0.209 0.000 3/28224 350.0 2.194 1.923 1.959 0.000 -0.204 0.000 3/28224 360.0 2.135 1.870 1.905 0.000 -0.199 0.000 3/28224 370.0 2.079 1.821 1.853 0.000 -0.194 0.000 3/28224 380.0 2.026 1.773 1.804 0.000 -0.189 0.000 3/28224 390.0 1.976 1.728 1.758 0.000 -0.185 0.000 3/28224 400.0 1.928 1.686 1.714 0.000 -0.181 0.000 3/28224 410.0 1.883 1.646 1.672 0.000 -0.177 0.000 3/28224 420.0 1.840 1.607 1.632 0.000 -0.173 0.000 3/28224 430.0 1.799 1.570 1.594 0.000 -0.169 0.000 3/28224 440.0 1.759 1.535 1.558 0.000 -0.166 0.000 3/28224 450.0 1.722 1.502 1.524 0.000 -0.163 0.000 3/28224 460.0 1.686 1.470 1.491 0.000 -0.159 0.000 3/28224 470.0 1.651 1.439 1.459 0.000 -0.156 0.000 3/28224 480.0 1.618 1.410 1.429 0.000 -0.153 0.000 3/28224 490.0 1.586 1.381 1.400 0.000 -0.151 0.000 3/28224 500.0 1.556 1.354 1.373 0.000 -0.148 0.000 3/28224 510.0 1.526 1.328 1.346 0.000 -0.145 0.000 3/28224 520.0 1.498 1.303 1.320 0.000 -0.143 0.000 3/28224 530.0 1.471 1.279 1.295 0.000 -0.140 0.000 3/28224 540.0 1.444 1.256 1.272 0.000 -0.138 0.000 3/28224 550.0 1.419 1.233 1.249 0.000 -0.135 0.000 3/28224 560.0 1.395 1.212 1.227 0.000 -0.133 0.000 3/28224 570.0 1.371 1.191 1.205 0.000 -0.131 0.000 3/28224 580.0 1.348 1.171 1.185 0.000 -0.129 0.000 3/28224 590.0 1.326 1.151 1.165 0.000 -0.127 0.000 3/28224 600.0 1.304 1.132 1.146 0.000 -0.125 0.000 3/28224 610.0 1.284 1.114 1.127 0.000 -0.123 0.000 3/28224 620.0 1.264 1.096 1.109 0.000 -0.121 0.000 3/28224 630.0 1.244 1.079 1.092 0.000 -0.120 0.000 3/28224 640.0 1.225 1.063 1.075 0.000 -0.118 0.000 3/28224 650.0 1.207 1.046 1.058 0.000 -0.116 0.000 3/28224 660.0 1.189 1.031 1.042 0.000 -0.114 0.000 3/28224 670.0 1.172 1.016 1.027 0.000 -0.113 0.000 3/28224 680.0 1.155 1.001 1.012 0.000 -0.111 0.000 3/28224 690.0 1.139 0.987 0.997 0.000 -0.110 0.000 3/28224 700.0 1.123 0.973 0.983 0.000 -0.108 0.000 3/28224 710.0 1.108 0.959 0.970 0.000 -0.107 0.000 3/28224 720.0 1.093 0.946 0.956 0.000 -0.106 0.000 3/28224 730.0 1.078 0.933 0.943 0.000 -0.104 0.000 3/28224 740.0 1.064 0.921 0.931 0.000 -0.103 0.000 3/28224 750.0 1.050 0.909 0.918 0.000 -0.102 0.000 3/28224 760.0 1.037 0.897 0.906 0.000 -0.100 0.000 3/28224 770.0 1.024 0.886 0.895 0.000 -0.099 0.000 3/28224 780.0 1.011 0.874 0.883 0.000 -0.098 0.000 3/28224 790.0 0.998 0.863 0.872 0.000 -0.097 0.000 3/28224 800.0 0.986 0.853 0.861 0.000 -0.096 0.000 3/28224 810.0 0.974 0.842 0.851 0.000 -0.094 0.000 3/28224 820.0 0.962 0.832 0.841 0.000 -0.093 0.000 3/28224 830.0 0.951 0.822 0.831 0.000 -0.092 0.000 3/28224 840.0 0.940 0.813 0.821 0.000 -0.091 0.000 3/28224 850.0 0.929 0.803 0.811 0.000 -0.090 0.000 3/28224 860.0 0.919 0.794 0.802 0.000 -0.089 0.000 3/28224 870.0 0.908 0.785 0.793 0.000 -0.088 0.000 3/28224 880.0 0.898 0.776 0.784 0.000 -0.087 0.000 3/28224 890.0 0.888 0.767 0.775 0.000 -0.086 0.000 3/28224 900.0 0.879 0.759 0.766 0.000 -0.085 0.000 3/28224 910.0 0.869 0.751 0.758 0.000 -0.085 0.000 3/28224 920.0 0.860 0.743 0.750 0.000 -0.084 0.000 3/28224 930.0 0.851 0.735 0.742 0.000 -0.083 0.000 3/28224 940.0 0.842 0.727 0.734 0.000 -0.082 0.000 3/28224 950.0 0.833 0.719 0.726 0.000 -0.081 0.000 3/28224 960.0 0.825 0.712 0.719 0.000 -0.080 0.000 3/28224 970.0 0.816 0.705 0.711 0.000 -0.079 0.000 3/28224 980.0 0.808 0.698 0.704 0.000 -0.079 0.000 3/28224 990.0 0.800 0.691 0.697 0.000 -0.078 0.000 3/28224 1000.0 0.792 0.684 0.690 0.000 -0.077 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:17:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|