----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:07:04]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.522966753841909 0.000000000000000 0.000000000000000 b 0.000000000000000 5.795944239999999 0.000000000000000 c -4.985823997601358 0.000000000000000 11.217877781882549 Atomic positions (fractional): *1 K 0.00000000000000 0.47954413930600 0.25000000000000 39.098 *2 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 3 K 0.00000000000000 0.52045586069400 0.75000000000000 39.098 4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 *5 Ag 0.50095291763957 0.24978426392289 0.02512193645537 107.868 6 Ag 0.50095291763957 0.75021573607711 0.52512193645537 107.868 7 Ag 0.49904708236043 0.75021573607711 0.97487806354463 107.868 8 Ag 0.49904708236043 0.24978426392289 0.47487806354463 107.868 *9 Sn 0.50000000000000 0.74981479113511 0.25000000000000 118.710 10 Sn 0.50000000000000 0.25018520886489 0.75000000000000 118.710 *11 Se 0.26332414838275 0.97438871120089 0.31086915840521 78.960 *12 Se 0.73601973046252 0.47803110557050 0.92773468862746 78.960 13 Se 0.26398026953748 0.52196889442950 0.07226531137254 78.960 14 Se 0.26398026953748 0.47803110557050 0.57226531137254 78.960 15 Se 0.73667585161725 0.97438871120089 0.18913084159479 78.960 16 Se 0.73601973046252 0.52196889442950 0.42773468862746 78.960 17 Se 0.26332414838275 0.02561128879911 0.81086915840521 78.960 18 Se 0.73667585161725 0.02561128879911 0.68913084159479 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.522966753841909 0.000000000000000 0.000000000000000 b 0.000000000000000 5.795944239999999 0.000000000000000 c -4.985823997601358 0.000000000000000 11.217877781882549 Atomic positions (fractional): *1 K 0.00000000000000 0.47954413930600 0.25000000000000 39.098 > 1 *2 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 2 3 K 0.00000000000000 0.52045586069400 0.75000000000000 39.098 > 3 4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 4 *5 Ag 0.50095291763957 0.24978426392289 0.02512193645537 107.868 > 5 6 Ag 0.50095291763957 0.75021573607711 0.52512193645537 107.868 > 6 7 Ag 0.49904708236043 0.75021573607711 0.97487806354463 107.868 > 7 8 Ag 0.49904708236043 0.24978426392289 0.47487806354463 107.868 > 8 *9 Sn 0.50000000000000 0.74981479113511 0.25000000000000 118.710 > 9 10 Sn 0.50000000000000 0.25018520886489 0.75000000000000 118.710 > 10 *11 Se 0.26332414838275 0.97438871120089 0.31086915840521 78.960 > 11 *12 Se 0.73601973046252 0.47803110557050 0.92773468862746 78.960 > 12 13 Se 0.26398026953748 0.52196889442950 0.07226531137254 78.960 > 13 14 Se 0.26398026953748 0.47803110557050 0.57226531137254 78.960 > 14 15 Se 0.73667585161725 0.97438871120089 0.18913084159479 78.960 > 15 16 Se 0.73601973046252 0.52196889442950 0.42773468862746 78.960 > 16 17 Se 0.26332414838275 0.02561128879911 0.81086915840521 78.960 > 17 18 Se 0.73667585161725 0.02561128879911 0.68913084159479 78.960 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.045933507683818 0.000000000000000 0.000000000000000 b 0.000000000000000 17.387832719999999 0.000000000000000 c -4.985823997601358 0.000000000000000 11.217877781882549 Atomic positions (fractional): *1 K 0.00000000000000 0.15984804643533 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.15984804643533 0.25000000000000 39.098 > 1 3 K 0.00000000000000 0.49318137976867 0.25000000000000 39.098 > 1 4 K 0.50000000000000 0.49318137976867 0.25000000000000 39.098 > 1 5 K 0.00000000000000 0.82651471310200 0.25000000000000 39.098 > 1 6 K 0.50000000000000 0.82651471310200 0.25000000000000 39.098 > 1 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 2 8 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 2 9 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 2 10 K 0.50000000000000 0.33333333333333 0.00000000000000 39.098 > 2 11 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 2 12 K 0.50000000000000 0.66666666666667 0.00000000000000 39.098 > 2 13 K 0.00000000000000 0.17348528689800 0.75000000000000 39.098 > 3 14 K 0.50000000000000 0.17348528689800 0.75000000000000 39.098 > 3 15 K 0.00000000000000 0.50681862023133 0.75000000000000 39.098 > 3 16 K 0.50000000000000 0.50681862023133 0.75000000000000 39.098 > 3 17 K 0.00000000000000 0.84015195356467 0.75000000000000 39.098 > 3 18 K 0.50000000000000 0.84015195356467 0.75000000000000 39.098 > 3 19 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 4 20 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 4 21 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 4 22 K 0.50000000000000 0.33333333333333 0.50000000000000 39.098 > 4 23 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 4 24 K 0.50000000000000 0.66666666666667 0.50000000000000 39.098 > 4 *25 Ag 0.25047645881978 0.08326142130763 0.02512193645537 107.868 > 5 26 Ag 0.75047645881978 0.08326142130763 0.02512193645537 107.868 > 5 27 Ag 0.25047645881978 0.41659475464096 0.02512193645537 107.868 > 5 28 Ag 0.75047645881978 0.41659475464096 0.02512193645537 107.868 > 5 29 Ag 0.25047645881978 0.74992808797430 0.02512193645537 107.868 > 5 30 Ag 0.75047645881978 0.74992808797430 0.02512193645537 107.868 > 5 31 Ag 0.25047645881978 0.25007191202570 0.52512193645537 107.868 > 6 32 Ag 0.75047645881978 0.25007191202570 0.52512193645537 107.868 > 6 33 Ag 0.25047645881978 0.58340524535904 0.52512193645537 107.868 > 6 34 Ag 0.75047645881978 0.58340524535904 0.52512193645537 107.868 > 6 35 Ag 0.25047645881978 0.91673857869237 0.52512193645537 107.868 > 6 36 Ag 0.75047645881978 0.91673857869237 0.52512193645537 107.868 > 6 37 Ag 0.24952354118022 0.25007191202570 0.97487806354463 107.868 > 7 38 Ag 0.74952354118022 0.25007191202570 0.97487806354463 107.868 > 7 39 Ag 0.24952354118022 0.58340524535904 0.97487806354463 107.868 > 7 40 Ag 0.74952354118022 0.58340524535904 0.97487806354463 107.868 > 7 41 Ag 0.24952354118022 0.91673857869237 0.97487806354463 107.868 > 7 42 Ag 0.74952354118022 0.91673857869237 0.97487806354463 107.868 > 7 43 Ag 0.24952354118022 0.08326142130763 0.47487806354463 107.868 > 8 44 Ag 0.74952354118022 0.08326142130763 0.47487806354463 107.868 > 8 45 Ag 0.24952354118022 0.41659475464096 0.47487806354463 107.868 > 8 46 Ag 0.74952354118022 0.41659475464096 0.47487806354463 107.868 > 8 47 Ag 0.24952354118022 0.74992808797430 0.47487806354463 107.868 > 8 48 Ag 0.74952354118022 0.74992808797430 0.47487806354463 107.868 > 8 *49 Sn 0.25000000000000 0.24993826371170 0.25000000000000 118.710 > 9 50 Sn 0.75000000000000 0.24993826371170 0.25000000000000 118.710 > 9 51 Sn 0.25000000000000 0.58327159704504 0.25000000000000 118.710 > 9 52 Sn 0.75000000000000 0.58327159704504 0.25000000000000 118.710 > 9 53 Sn 0.25000000000000 0.91660493037837 0.25000000000000 118.710 > 9 54 Sn 0.75000000000000 0.91660493037837 0.25000000000000 118.710 > 9 55 Sn 0.25000000000000 0.08339506962163 0.75000000000000 118.710 > 10 56 Sn 0.75000000000000 0.08339506962163 0.75000000000000 118.710 > 10 57 Sn 0.25000000000000 0.41672840295496 0.75000000000000 118.710 > 10 58 Sn 0.75000000000000 0.41672840295496 0.75000000000000 118.710 > 10 59 Sn 0.25000000000000 0.75006173628830 0.75000000000000 118.710 > 10 60 Sn 0.75000000000000 0.75006173628830 0.75000000000000 118.710 > 10 *61 Se 0.13166207419137 0.32479623706696 0.31086915840521 78.960 > 11 62 Se 0.63166207419137 0.32479623706696 0.31086915840521 78.960 > 11 63 Se 0.13166207419137 0.65812957040030 0.31086915840521 78.960 > 11 64 Se 0.63166207419137 0.65812957040030 0.31086915840521 78.960 > 11 65 Se 0.13166207419137 0.99146290373363 0.31086915840521 78.960 > 11 66 Se 0.63166207419137 0.99146290373363 0.31086915840521 78.960 > 11 *67 Se 0.36800986523126 0.15934370185683 0.92773468862746 78.960 > 12 68 Se 0.86800986523126 0.15934370185683 0.92773468862746 78.960 > 12 69 Se 0.36800986523126 0.49267703519017 0.92773468862746 78.960 > 12 70 Se 0.86800986523126 0.49267703519017 0.92773468862746 78.960 > 12 71 Se 0.36800986523126 0.82601036852350 0.92773468862746 78.960 > 12 72 Se 0.86800986523126 0.82601036852350 0.92773468862746 78.960 > 12 73 Se 0.13199013476874 0.17398963147650 0.07226531137254 78.960 > 13 74 Se 0.63199013476874 0.17398963147650 0.07226531137254 78.960 > 13 75 Se 0.13199013476874 0.50732296480983 0.07226531137254 78.960 > 13 76 Se 0.63199013476874 0.50732296480983 0.07226531137254 78.960 > 13 77 Se 0.13199013476874 0.84065629814317 0.07226531137254 78.960 > 13 78 Se 0.63199013476874 0.84065629814317 0.07226531137254 78.960 > 13 79 Se 0.13199013476874 0.15934370185683 0.57226531137254 78.960 > 14 80 Se 0.63199013476874 0.15934370185683 0.57226531137254 78.960 > 14 81 Se 0.13199013476874 0.49267703519017 0.57226531137254 78.960 > 14 82 Se 0.63199013476874 0.49267703519017 0.57226531137254 78.960 > 14 83 Se 0.13199013476874 0.82601036852350 0.57226531137254 78.960 > 14 84 Se 0.63199013476874 0.82601036852350 0.57226531137254 78.960 > 14 85 Se 0.36833792580863 0.32479623706696 0.18913084159479 78.960 > 15 86 Se 0.86833792580863 0.32479623706696 0.18913084159479 78.960 > 15 87 Se 0.36833792580863 0.65812957040030 0.18913084159479 78.960 > 15 88 Se 0.86833792580863 0.65812957040030 0.18913084159479 78.960 > 15 89 Se 0.36833792580863 0.99146290373363 0.18913084159479 78.960 > 15 90 Se 0.86833792580863 0.99146290373363 0.18913084159479 78.960 > 15 91 Se 0.36800986523126 0.17398963147650 0.42773468862746 78.960 > 16 92 Se 0.86800986523126 0.17398963147650 0.42773468862746 78.960 > 16 93 Se 0.36800986523126 0.50732296480983 0.42773468862746 78.960 > 16 94 Se 0.86800986523126 0.50732296480983 0.42773468862746 78.960 > 16 95 Se 0.36800986523126 0.84065629814317 0.42773468862746 78.960 > 16 96 Se 0.86800986523126 0.84065629814317 0.42773468862746 78.960 > 16 97 Se 0.13166207419137 0.00853709626637 0.81086915840521 78.960 > 17 98 Se 0.63166207419137 0.00853709626637 0.81086915840521 78.960 > 17 99 Se 0.13166207419137 0.34187042959970 0.81086915840521 78.960 > 17 100 Se 0.63166207419137 0.34187042959970 0.81086915840521 78.960 > 17 101 Se 0.13166207419137 0.67520376293304 0.81086915840521 78.960 > 17 102 Se 0.63166207419137 0.67520376293304 0.81086915840521 78.960 > 17 103 Se 0.36833792580863 0.00853709626637 0.68913084159479 78.960 > 18 104 Se 0.86833792580863 0.00853709626637 0.68913084159479 78.960 > 18 105 Se 0.36833792580863 0.34187042959970 0.68913084159479 78.960 > 18 106 Se 0.86833792580863 0.34187042959970 0.68913084159479 78.960 > 18 107 Se 0.36833792580863 0.67520376293304 0.68913084159479 78.960 > 18 108 Se 0.86833792580863 0.67520376293304 0.68913084159479 78.960 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7379664 0.0000000 1.3100725 0.0000000 7.0292144 0.0000000 1.3100682 0.0000000 8.2646369 -------------------------- Born effective charges -------------------------- 1 K 1.6948752 0.0000000 0.2009797 0.0000000 1.2800775 0.0000000 0.1741838 -0.0000000 1.3917434 2 K 1.7301440 0.0991608 0.1391437 0.2054646 1.2599472 -0.2057060 0.1642043 0.0271736 1.3719132 3 K 1.6948752 0.0000000 0.2009797 0.0000000 1.2800775 0.0000000 0.1741838 -0.0000000 1.3917434 4 K 1.7301440 -0.0991608 0.1391437 -0.2054646 1.2599472 0.2057060 0.1642043 -0.0271736 1.3719132 5 Ag 0.9425904 -0.2301522 -0.1913160 -0.1617607 1.0774927 -0.1442013 -0.1818028 -0.0982589 1.2383855 6 Ag 0.9425904 0.2301522 -0.1913160 0.1617607 1.0774927 0.1442013 -0.1818028 0.0982589 1.2383855 7 Ag 0.9425904 -0.2301522 -0.1913160 -0.1617607 1.0774927 -0.1442013 -0.1818028 -0.0982589 1.2383855 8 Ag 0.9425904 0.2301522 -0.1913160 0.1617607 1.0774927 0.1442013 -0.1818028 0.0982589 1.2383855 9 Sn 1.9071796 0.0000000 -0.9504597 0.0000000 2.3452109 0.0000000 -0.9577533 -0.0000000 3.5758512 10 Sn 1.9071796 0.0000000 -0.9504597 0.0000000 2.3452109 0.0000000 -0.9577533 -0.0000000 3.5758512 11 Se -2.0013758 0.6774164 0.4069413 0.5680491 -1.7725673 -0.0898280 0.4310844 -0.1345498 -2.0247005 12 Se -1.6073139 -0.1853329 0.0895429 -0.3316298 -1.7475432 -0.3753930 0.0604010 -0.4864873 -2.3834389 13 Se -1.6073139 -0.1853329 0.0895429 -0.3316298 -1.7475432 -0.3753930 0.0604010 -0.4864873 -2.3834389 14 Se -1.6073139 0.1853329 0.0895429 0.3316298 -1.7475432 0.3753930 0.0604010 0.4864873 -2.3834389 15 Se -2.0013758 -0.6774164 0.4069413 -0.5680491 -1.7725673 0.0898280 0.4310844 0.1345498 -2.0247005 16 Se -1.6073139 0.1853329 0.0895429 0.3316298 -1.7475432 0.3753930 0.0604010 0.4864873 -2.3834389 17 Se -2.0013758 -0.6774164 0.4069413 -0.5680491 -1.7725673 0.0898280 0.4310844 0.1345498 -2.0247005 18 Se -2.0013758 0.6774164 0.4069413 0.5680491 -1.7725673 -0.0898280 0.4310844 -0.1345498 -2.0247005 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 9126/9126 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2310 Number of blocks in projector: 2310 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: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 476 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 476 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 286 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 286 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 286 Use standard eigh solver. Tree of FC basis block matrices: - (2310, 2265), data: False |-- (286, 280), data: True |-- (286, 280), data: True |-- (286, 280), data: True |-- (476, 468), data: True |-- (476, 468), data: True |-- (500, 489), data: False |-- (500, 489), data: False |-- (500, 7), data: (500, 18) @ (18, 7) |-- (250, 243), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 560 - Time: 0.707 Solver_block: 200 / 560 - Time: 0.665 Solver_block: 300 / 560 - Time: 0.663 Solver_block: 400 / 560 - Time: 0.661 Solver_block: 500 / 560 - Time: 0.659 Solver_block: 560 / 560 - Time: 0.445 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.887 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 9126/9126 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2310 Number of blocks in projector: 2310 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: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 476 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 476 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 286 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 286 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 286 Use standard eigh solver. Tree of FC basis block matrices: - (2310, 2265), data: False |-- (286, 280), data: True |-- (286, 280), data: True |-- (286, 280), data: True |-- (476, 468), data: True |-- (476, 468), data: True |-- (500, 489), data: False |-- (500, 489), data: False |-- (500, 7), data: (500, 18) @ (18, 7) |-- (250, 243), data: True |-- (250, 239), 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 19:07:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:07:31]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.522966753841909 0.000000000000000 0.000000000000000 b 0.000000000000000 5.795944239999999 0.000000000000000 c -4.985823997601358 0.000000000000000 11.217877781882549 Atomic positions (fractional): 1 K 0.00000000000000 0.47954413930600 0.25000000000000 39.098 2 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 3 K 0.00000000000000 0.52045586069400 0.75000000000000 39.098 4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 5 Ag 0.50095291763957 0.24978426392289 0.02512193645537 107.868 6 Ag 0.50095291763957 0.75021573607711 0.52512193645537 107.868 7 Ag 0.49904708236043 0.75021573607711 0.97487806354463 107.868 8 Ag 0.49904708236043 0.24978426392289 0.47487806354463 107.868 9 Sn 0.50000000000000 0.74981479113511 0.25000000000000 118.710 10 Sn 0.50000000000000 0.25018520886489 0.75000000000000 118.710 11 Se 0.26332414838275 0.97438871120089 0.31086915840521 78.960 12 Se 0.73601973046252 0.47803110557050 0.92773468862746 78.960 13 Se 0.26398026953748 0.52196889442950 0.07226531137254 78.960 14 Se 0.26398026953748 0.47803110557050 0.57226531137254 78.960 15 Se 0.73667585161725 0.97438871120089 0.18913084159479 78.960 16 Se 0.73601973046252 0.52196889442950 0.42773468862746 78.960 17 Se 0.26332414838275 0.02561128879911 0.81086915840521 78.960 18 Se 0.73667585161725 0.02561128879911 0.68913084159479 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.045933507683818 0.000000000000000 0.000000000000000 b 0.000000000000000 17.387832719999999 0.000000000000000 c -4.985823997601358 0.000000000000000 11.217877781882549 Atomic positions (fractional): 1 K 0.00000000000000 0.15984804643533 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.15984804643533 0.25000000000000 39.098 > 1 3 K 0.00000000000000 0.49318137976867 0.25000000000000 39.098 > 1 4 K 0.50000000000000 0.49318137976867 0.25000000000000 39.098 > 1 5 K 0.00000000000000 0.82651471310200 0.25000000000000 39.098 > 1 6 K 0.50000000000000 0.82651471310200 0.25000000000000 39.098 > 1 7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 7 8 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 7 9 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 7 10 K 0.50000000000000 0.33333333333333 0.00000000000000 39.098 > 7 11 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 7 12 K 0.50000000000000 0.66666666666667 0.00000000000000 39.098 > 7 13 K 0.00000000000000 0.17348528689800 0.75000000000000 39.098 > 13 14 K 0.50000000000000 0.17348528689800 0.75000000000000 39.098 > 13 15 K 0.00000000000000 0.50681862023133 0.75000000000000 39.098 > 13 16 K 0.50000000000000 0.50681862023133 0.75000000000000 39.098 > 13 17 K 0.00000000000000 0.84015195356467 0.75000000000000 39.098 > 13 18 K 0.50000000000000 0.84015195356467 0.75000000000000 39.098 > 13 19 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 19 20 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 19 21 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 19 22 K 0.50000000000000 0.33333333333333 0.50000000000000 39.098 > 19 23 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 19 24 K 0.50000000000000 0.66666666666667 0.50000000000000 39.098 > 19 25 Ag 0.25047645881978 0.08326142130763 0.02512193645537 107.868 > 25 26 Ag 0.75047645881978 0.08326142130763 0.02512193645537 107.868 > 25 27 Ag 0.25047645881978 0.41659475464096 0.02512193645537 107.868 > 25 28 Ag 0.75047645881978 0.41659475464096 0.02512193645537 107.868 > 25 29 Ag 0.25047645881978 0.74992808797430 0.02512193645537 107.868 > 25 30 Ag 0.75047645881978 0.74992808797430 0.02512193645537 107.868 > 25 31 Ag 0.25047645881978 0.25007191202570 0.52512193645537 107.868 > 31 32 Ag 0.75047645881978 0.25007191202570 0.52512193645537 107.868 > 31 33 Ag 0.25047645881978 0.58340524535904 0.52512193645537 107.868 > 31 34 Ag 0.75047645881978 0.58340524535904 0.52512193645537 107.868 > 31 35 Ag 0.25047645881978 0.91673857869237 0.52512193645537 107.868 > 31 36 Ag 0.75047645881978 0.91673857869237 0.52512193645537 107.868 > 31 37 Ag 0.24952354118022 0.25007191202570 0.97487806354463 107.868 > 37 38 Ag 0.74952354118022 0.25007191202570 0.97487806354463 107.868 > 37 39 Ag 0.24952354118022 0.58340524535904 0.97487806354463 107.868 > 37 40 Ag 0.74952354118022 0.58340524535904 0.97487806354463 107.868 > 37 41 Ag 0.24952354118022 0.91673857869237 0.97487806354463 107.868 > 37 42 Ag 0.74952354118022 0.91673857869237 0.97487806354463 107.868 > 37 43 Ag 0.24952354118022 0.08326142130763 0.47487806354463 107.868 > 43 44 Ag 0.74952354118022 0.08326142130763 0.47487806354463 107.868 > 43 45 Ag 0.24952354118022 0.41659475464096 0.47487806354463 107.868 > 43 46 Ag 0.74952354118022 0.41659475464096 0.47487806354463 107.868 > 43 47 Ag 0.24952354118022 0.74992808797430 0.47487806354463 107.868 > 43 48 Ag 0.74952354118022 0.74992808797430 0.47487806354463 107.868 > 43 49 Sn 0.25000000000000 0.24993826371170 0.25000000000000 118.710 > 49 50 Sn 0.75000000000000 0.24993826371170 0.25000000000000 118.710 > 49 51 Sn 0.25000000000000 0.58327159704504 0.25000000000000 118.710 > 49 52 Sn 0.75000000000000 0.58327159704504 0.25000000000000 118.710 > 49 53 Sn 0.25000000000000 0.91660493037837 0.25000000000000 118.710 > 49 54 Sn 0.75000000000000 0.91660493037837 0.25000000000000 118.710 > 49 55 Sn 0.25000000000000 0.08339506962163 0.75000000000000 118.710 > 55 56 Sn 0.75000000000000 0.08339506962163 0.75000000000000 118.710 > 55 57 Sn 0.25000000000000 0.41672840295496 0.75000000000000 118.710 > 55 58 Sn 0.75000000000000 0.41672840295496 0.75000000000000 118.710 > 55 59 Sn 0.25000000000000 0.75006173628830 0.75000000000000 118.710 > 55 60 Sn 0.75000000000000 0.75006173628830 0.75000000000000 118.710 > 55 61 Se 0.13166207419137 0.32479623706696 0.31086915840521 78.960 > 61 62 Se 0.63166207419137 0.32479623706696 0.31086915840521 78.960 > 61 63 Se 0.13166207419137 0.65812957040030 0.31086915840521 78.960 > 61 64 Se 0.63166207419137 0.65812957040030 0.31086915840521 78.960 > 61 65 Se 0.13166207419137 0.99146290373363 0.31086915840521 78.960 > 61 66 Se 0.63166207419137 0.99146290373363 0.31086915840521 78.960 > 61 67 Se 0.36800986523126 0.15934370185683 0.92773468862746 78.960 > 67 68 Se 0.86800986523126 0.15934370185683 0.92773468862746 78.960 > 67 69 Se 0.36800986523126 0.49267703519017 0.92773468862746 78.960 > 67 70 Se 0.86800986523126 0.49267703519017 0.92773468862746 78.960 > 67 71 Se 0.36800986523126 0.82601036852350 0.92773468862746 78.960 > 67 72 Se 0.86800986523126 0.82601036852350 0.92773468862746 78.960 > 67 73 Se 0.13199013476874 0.17398963147650 0.07226531137254 78.960 > 73 74 Se 0.63199013476874 0.17398963147650 0.07226531137254 78.960 > 73 75 Se 0.13199013476874 0.50732296480983 0.07226531137254 78.960 > 73 76 Se 0.63199013476874 0.50732296480983 0.07226531137254 78.960 > 73 77 Se 0.13199013476874 0.84065629814317 0.07226531137254 78.960 > 73 78 Se 0.63199013476874 0.84065629814317 0.07226531137254 78.960 > 73 79 Se 0.13199013476874 0.15934370185683 0.57226531137254 78.960 > 79 80 Se 0.63199013476874 0.15934370185683 0.57226531137254 78.960 > 79 81 Se 0.13199013476874 0.49267703519017 0.57226531137254 78.960 > 79 82 Se 0.63199013476874 0.49267703519017 0.57226531137254 78.960 > 79 83 Se 0.13199013476874 0.82601036852350 0.57226531137254 78.960 > 79 84 Se 0.63199013476874 0.82601036852350 0.57226531137254 78.960 > 79 85 Se 0.36833792580863 0.32479623706696 0.18913084159479 78.960 > 85 86 Se 0.86833792580863 0.32479623706696 0.18913084159479 78.960 > 85 87 Se 0.36833792580863 0.65812957040030 0.18913084159479 78.960 > 85 88 Se 0.86833792580863 0.65812957040030 0.18913084159479 78.960 > 85 89 Se 0.36833792580863 0.99146290373363 0.18913084159479 78.960 > 85 90 Se 0.86833792580863 0.99146290373363 0.18913084159479 78.960 > 85 91 Se 0.36800986523126 0.17398963147650 0.42773468862746 78.960 > 91 92 Se 0.86800986523126 0.17398963147650 0.42773468862746 78.960 > 91 93 Se 0.36800986523126 0.50732296480983 0.42773468862746 78.960 > 91 94 Se 0.86800986523126 0.50732296480983 0.42773468862746 78.960 > 91 95 Se 0.36800986523126 0.84065629814317 0.42773468862746 78.960 > 91 96 Se 0.86800986523126 0.84065629814317 0.42773468862746 78.960 > 91 97 Se 0.13166207419137 0.00853709626637 0.81086915840521 78.960 > 97 98 Se 0.63166207419137 0.00853709626637 0.81086915840521 78.960 > 97 99 Se 0.13166207419137 0.34187042959970 0.81086915840521 78.960 > 97 100 Se 0.63166207419137 0.34187042959970 0.81086915840521 78.960 > 97 101 Se 0.13166207419137 0.67520376293304 0.81086915840521 78.960 > 97 102 Se 0.63166207419137 0.67520376293304 0.81086915840521 78.960 > 97 103 Se 0.36833792580863 0.00853709626637 0.68913084159479 78.960 > 103 104 Se 0.86833792580863 0.00853709626637 0.68913084159479 78.960 > 103 105 Se 0.36833792580863 0.34187042959970 0.68913084159479 78.960 > 103 106 Se 0.86833792580863 0.34187042959970 0.68913084159479 78.960 > 103 107 Se 0.36833792580863 0.67520376293304 0.68913084159479 78.960 > 103 108 Se 0.86833792580863 0.67520376293304 0.68913084159479 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7379664 0.0000000 1.3100725 0.0000000 7.0292144 0.0000000 1.3100682 0.0000000 8.2646369 -------------------------- Born effective charges -------------------------- 1 K 1.6948752 0.0000000 0.2009797 0.0000000 1.2800775 0.0000000 0.1741838 -0.0000000 1.3917434 2 K 1.7301440 0.0991608 0.1391437 0.2054646 1.2599472 -0.2057060 0.1642043 0.0271736 1.3719132 3 K 1.6948752 0.0000000 0.2009797 0.0000000 1.2800775 0.0000000 0.1741838 -0.0000000 1.3917434 4 K 1.7301440 -0.0991608 0.1391437 -0.2054646 1.2599472 0.2057060 0.1642043 -0.0271736 1.3719132 5 Ag 0.9425904 -0.2301522 -0.1913160 -0.1617607 1.0774927 -0.1442013 -0.1818028 -0.0982589 1.2383855 6 Ag 0.9425904 0.2301522 -0.1913160 0.1617607 1.0774927 0.1442013 -0.1818028 0.0982589 1.2383855 7 Ag 0.9425904 -0.2301522 -0.1913160 -0.1617607 1.0774927 -0.1442013 -0.1818028 -0.0982589 1.2383855 8 Ag 0.9425904 0.2301522 -0.1913160 0.1617607 1.0774927 0.1442013 -0.1818028 0.0982589 1.2383855 9 Sn 1.9071796 0.0000000 -0.9504597 0.0000000 2.3452109 0.0000000 -0.9577533 -0.0000000 3.5758512 10 Sn 1.9071796 0.0000000 -0.9504597 0.0000000 2.3452109 0.0000000 -0.9577533 -0.0000000 3.5758512 11 Se -2.0013758 0.6774164 0.4069413 0.5680491 -1.7725673 -0.0898280 0.4310844 -0.1345498 -2.0247005 12 Se -1.6073139 -0.1853329 0.0895429 -0.3316298 -1.7475432 -0.3753930 0.0604010 -0.4864873 -2.3834389 13 Se -1.6073139 -0.1853329 0.0895429 -0.3316298 -1.7475432 -0.3753930 0.0604010 -0.4864873 -2.3834389 14 Se -1.6073139 0.1853329 0.0895429 0.3316298 -1.7475432 0.3753930 0.0604010 0.4864873 -2.3834389 15 Se -2.0013758 -0.6774164 0.4069413 -0.5680491 -1.7725673 0.0898280 0.4310844 0.1345498 -2.0247005 16 Se -1.6073139 0.1853329 0.0895429 0.3316298 -1.7475432 0.3753930 0.0604010 0.4864873 -2.3834389 17 Se -2.0013758 -0.6774164 0.4069413 -0.5680491 -1.7725673 0.0898280 0.4310844 0.1345498 -2.0247005 18 Se -2.0013758 0.6774164 0.4069413 0.5680491 -1.7725673 -0.0898280 0.4310844 -0.1345498 -2.0247005 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 7, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 61, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 67, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (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 19:07:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:07:55]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.522966753841909 0.000000000000000 0.000000000000000 b 0.000000000000000 5.795944239999999 0.000000000000000 c -4.985823997601358 0.000000000000000 11.217877781882549 Atomic positions (fractional): 1 K 0.00000000000000 0.47954413930600 0.25000000000000 39.098 2 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 3 K 0.00000000000000 0.52045586069400 0.75000000000000 39.098 4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 5 Ag 0.50095291763957 0.24978426392289 0.02512193645537 107.868 6 Ag 0.50095291763957 0.75021573607711 0.52512193645537 107.868 7 Ag 0.49904708236043 0.75021573607711 0.97487806354463 107.868 8 Ag 0.49904708236043 0.24978426392289 0.47487806354463 107.868 9 Sn 0.50000000000000 0.74981479113511 0.25000000000000 118.710 10 Sn 0.50000000000000 0.25018520886489 0.75000000000000 118.710 11 Se 0.26332414838275 0.97438871120089 0.31086915840521 78.960 12 Se 0.73601973046252 0.47803110557050 0.92773468862746 78.960 13 Se 0.26398026953748 0.52196889442950 0.07226531137254 78.960 14 Se 0.26398026953748 0.47803110557050 0.57226531137254 78.960 15 Se 0.73667585161725 0.97438871120089 0.18913084159479 78.960 16 Se 0.73601973046252 0.52196889442950 0.42773468862746 78.960 17 Se 0.26332414838275 0.02561128879911 0.81086915840521 78.960 18 Se 0.73667585161725 0.02561128879911 0.68913084159479 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.045933507683818 0.000000000000000 0.000000000000000 b 0.000000000000000 17.387832719999999 0.000000000000000 c -4.985823997601358 0.000000000000000 11.217877781882549 Atomic positions (fractional): 1 K 0.00000000000000 0.15984804643533 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.15984804643533 0.25000000000000 39.098 > 1 3 K 0.00000000000000 0.49318137976867 0.25000000000000 39.098 > 1 4 K 0.50000000000000 0.49318137976867 0.25000000000000 39.098 > 1 5 K 0.00000000000000 0.82651471310200 0.25000000000000 39.098 > 1 6 K 0.50000000000000 0.82651471310200 0.25000000000000 39.098 > 1 7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 7 8 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 7 9 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 7 10 K 0.50000000000000 0.33333333333333 0.00000000000000 39.098 > 7 11 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 7 12 K 0.50000000000000 0.66666666666667 0.00000000000000 39.098 > 7 13 K 0.00000000000000 0.17348528689800 0.75000000000000 39.098 > 13 14 K 0.50000000000000 0.17348528689800 0.75000000000000 39.098 > 13 15 K 0.00000000000000 0.50681862023133 0.75000000000000 39.098 > 13 16 K 0.50000000000000 0.50681862023133 0.75000000000000 39.098 > 13 17 K 0.00000000000000 0.84015195356467 0.75000000000000 39.098 > 13 18 K 0.50000000000000 0.84015195356467 0.75000000000000 39.098 > 13 19 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 19 20 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 19 21 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 19 22 K 0.50000000000000 0.33333333333333 0.50000000000000 39.098 > 19 23 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 19 24 K 0.50000000000000 0.66666666666667 0.50000000000000 39.098 > 19 25 Ag 0.25047645881978 0.08326142130763 0.02512193645537 107.868 > 25 26 Ag 0.75047645881978 0.08326142130763 0.02512193645537 107.868 > 25 27 Ag 0.25047645881978 0.41659475464096 0.02512193645537 107.868 > 25 28 Ag 0.75047645881978 0.41659475464096 0.02512193645537 107.868 > 25 29 Ag 0.25047645881978 0.74992808797430 0.02512193645537 107.868 > 25 30 Ag 0.75047645881978 0.74992808797430 0.02512193645537 107.868 > 25 31 Ag 0.25047645881978 0.25007191202570 0.52512193645537 107.868 > 31 32 Ag 0.75047645881978 0.25007191202570 0.52512193645537 107.868 > 31 33 Ag 0.25047645881978 0.58340524535904 0.52512193645537 107.868 > 31 34 Ag 0.75047645881978 0.58340524535904 0.52512193645537 107.868 > 31 35 Ag 0.25047645881978 0.91673857869237 0.52512193645537 107.868 > 31 36 Ag 0.75047645881978 0.91673857869237 0.52512193645537 107.868 > 31 37 Ag 0.24952354118022 0.25007191202570 0.97487806354463 107.868 > 37 38 Ag 0.74952354118022 0.25007191202570 0.97487806354463 107.868 > 37 39 Ag 0.24952354118022 0.58340524535904 0.97487806354463 107.868 > 37 40 Ag 0.74952354118022 0.58340524535904 0.97487806354463 107.868 > 37 41 Ag 0.24952354118022 0.91673857869237 0.97487806354463 107.868 > 37 42 Ag 0.74952354118022 0.91673857869237 0.97487806354463 107.868 > 37 43 Ag 0.24952354118022 0.08326142130763 0.47487806354463 107.868 > 43 44 Ag 0.74952354118022 0.08326142130763 0.47487806354463 107.868 > 43 45 Ag 0.24952354118022 0.41659475464096 0.47487806354463 107.868 > 43 46 Ag 0.74952354118022 0.41659475464096 0.47487806354463 107.868 > 43 47 Ag 0.24952354118022 0.74992808797430 0.47487806354463 107.868 > 43 48 Ag 0.74952354118022 0.74992808797430 0.47487806354463 107.868 > 43 49 Sn 0.25000000000000 0.24993826371170 0.25000000000000 118.710 > 49 50 Sn 0.75000000000000 0.24993826371170 0.25000000000000 118.710 > 49 51 Sn 0.25000000000000 0.58327159704504 0.25000000000000 118.710 > 49 52 Sn 0.75000000000000 0.58327159704504 0.25000000000000 118.710 > 49 53 Sn 0.25000000000000 0.91660493037837 0.25000000000000 118.710 > 49 54 Sn 0.75000000000000 0.91660493037837 0.25000000000000 118.710 > 49 55 Sn 0.25000000000000 0.08339506962163 0.75000000000000 118.710 > 55 56 Sn 0.75000000000000 0.08339506962163 0.75000000000000 118.710 > 55 57 Sn 0.25000000000000 0.41672840295496 0.75000000000000 118.710 > 55 58 Sn 0.75000000000000 0.41672840295496 0.75000000000000 118.710 > 55 59 Sn 0.25000000000000 0.75006173628830 0.75000000000000 118.710 > 55 60 Sn 0.75000000000000 0.75006173628830 0.75000000000000 118.710 > 55 61 Se 0.13166207419137 0.32479623706696 0.31086915840521 78.960 > 61 62 Se 0.63166207419137 0.32479623706696 0.31086915840521 78.960 > 61 63 Se 0.13166207419137 0.65812957040030 0.31086915840521 78.960 > 61 64 Se 0.63166207419137 0.65812957040030 0.31086915840521 78.960 > 61 65 Se 0.13166207419137 0.99146290373363 0.31086915840521 78.960 > 61 66 Se 0.63166207419137 0.99146290373363 0.31086915840521 78.960 > 61 67 Se 0.36800986523126 0.15934370185683 0.92773468862746 78.960 > 67 68 Se 0.86800986523126 0.15934370185683 0.92773468862746 78.960 > 67 69 Se 0.36800986523126 0.49267703519017 0.92773468862746 78.960 > 67 70 Se 0.86800986523126 0.49267703519017 0.92773468862746 78.960 > 67 71 Se 0.36800986523126 0.82601036852350 0.92773468862746 78.960 > 67 72 Se 0.86800986523126 0.82601036852350 0.92773468862746 78.960 > 67 73 Se 0.13199013476874 0.17398963147650 0.07226531137254 78.960 > 73 74 Se 0.63199013476874 0.17398963147650 0.07226531137254 78.960 > 73 75 Se 0.13199013476874 0.50732296480983 0.07226531137254 78.960 > 73 76 Se 0.63199013476874 0.50732296480983 0.07226531137254 78.960 > 73 77 Se 0.13199013476874 0.84065629814317 0.07226531137254 78.960 > 73 78 Se 0.63199013476874 0.84065629814317 0.07226531137254 78.960 > 73 79 Se 0.13199013476874 0.15934370185683 0.57226531137254 78.960 > 79 80 Se 0.63199013476874 0.15934370185683 0.57226531137254 78.960 > 79 81 Se 0.13199013476874 0.49267703519017 0.57226531137254 78.960 > 79 82 Se 0.63199013476874 0.49267703519017 0.57226531137254 78.960 > 79 83 Se 0.13199013476874 0.82601036852350 0.57226531137254 78.960 > 79 84 Se 0.63199013476874 0.82601036852350 0.57226531137254 78.960 > 79 85 Se 0.36833792580863 0.32479623706696 0.18913084159479 78.960 > 85 86 Se 0.86833792580863 0.32479623706696 0.18913084159479 78.960 > 85 87 Se 0.36833792580863 0.65812957040030 0.18913084159479 78.960 > 85 88 Se 0.86833792580863 0.65812957040030 0.18913084159479 78.960 > 85 89 Se 0.36833792580863 0.99146290373363 0.18913084159479 78.960 > 85 90 Se 0.86833792580863 0.99146290373363 0.18913084159479 78.960 > 85 91 Se 0.36800986523126 0.17398963147650 0.42773468862746 78.960 > 91 92 Se 0.86800986523126 0.17398963147650 0.42773468862746 78.960 > 91 93 Se 0.36800986523126 0.50732296480983 0.42773468862746 78.960 > 91 94 Se 0.86800986523126 0.50732296480983 0.42773468862746 78.960 > 91 95 Se 0.36800986523126 0.84065629814317 0.42773468862746 78.960 > 91 96 Se 0.86800986523126 0.84065629814317 0.42773468862746 78.960 > 91 97 Se 0.13166207419137 0.00853709626637 0.81086915840521 78.960 > 97 98 Se 0.63166207419137 0.00853709626637 0.81086915840521 78.960 > 97 99 Se 0.13166207419137 0.34187042959970 0.81086915840521 78.960 > 97 100 Se 0.63166207419137 0.34187042959970 0.81086915840521 78.960 > 97 101 Se 0.13166207419137 0.67520376293304 0.81086915840521 78.960 > 97 102 Se 0.63166207419137 0.67520376293304 0.81086915840521 78.960 > 97 103 Se 0.36833792580863 0.00853709626637 0.68913084159479 78.960 > 103 104 Se 0.86833792580863 0.00853709626637 0.68913084159479 78.960 > 103 105 Se 0.36833792580863 0.34187042959970 0.68913084159479 78.960 > 103 106 Se 0.86833792580863 0.34187042959970 0.68913084159479 78.960 > 103 107 Se 0.36833792580863 0.67520376293304 0.68913084159479 78.960 > 103 108 Se 0.86833792580863 0.67520376293304 0.68913084159479 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.7379664 0.0000000 1.3100725 0.0000000 7.0292144 0.0000000 1.3100682 0.0000000 8.2646369 -------------------------- Born effective charges -------------------------- 1 K 1.6948752 0.0000000 0.2009797 0.0000000 1.2800775 0.0000000 0.1741838 -0.0000000 1.3917434 2 K 1.7301440 0.0991608 0.1391437 0.2054646 1.2599472 -0.2057060 0.1642043 0.0271736 1.3719132 3 K 1.6948752 0.0000000 0.2009797 0.0000000 1.2800775 0.0000000 0.1741838 -0.0000000 1.3917434 4 K 1.7301440 -0.0991608 0.1391437 -0.2054646 1.2599472 0.2057060 0.1642043 -0.0271736 1.3719132 5 Ag 0.9425904 -0.2301522 -0.1913160 -0.1617607 1.0774927 -0.1442013 -0.1818028 -0.0982589 1.2383855 6 Ag 0.9425904 0.2301522 -0.1913160 0.1617607 1.0774927 0.1442013 -0.1818028 0.0982589 1.2383855 7 Ag 0.9425904 -0.2301522 -0.1913160 -0.1617607 1.0774927 -0.1442013 -0.1818028 -0.0982589 1.2383855 8 Ag 0.9425904 0.2301522 -0.1913160 0.1617607 1.0774927 0.1442013 -0.1818028 0.0982589 1.2383855 9 Sn 1.9071796 0.0000000 -0.9504597 0.0000000 2.3452109 0.0000000 -0.9577533 -0.0000000 3.5758512 10 Sn 1.9071796 0.0000000 -0.9504597 0.0000000 2.3452109 0.0000000 -0.9577533 -0.0000000 3.5758512 11 Se -2.0013758 0.6774164 0.4069413 0.5680491 -1.7725673 -0.0898280 0.4310844 -0.1345498 -2.0247005 12 Se -1.6073139 -0.1853329 0.0895429 -0.3316298 -1.7475432 -0.3753930 0.0604010 -0.4864873 -2.3834389 13 Se -1.6073139 -0.1853329 0.0895429 -0.3316298 -1.7475432 -0.3753930 0.0604010 -0.4864873 -2.3834389 14 Se -1.6073139 0.1853329 0.0895429 0.3316298 -1.7475432 0.3753930 0.0604010 0.4864873 -2.3834389 15 Se -2.0013758 -0.6774164 0.4069413 -0.5680491 -1.7725673 0.0898280 0.4310844 0.1345498 -2.0247005 16 Se -1.6073139 0.1853329 0.0895429 0.3316298 -1.7475432 0.3753930 0.0604010 0.4864873 -2.3834389 17 Se -2.0013758 -0.6774164 0.4069413 -0.5680491 -1.7725673 0.0898280 0.4310844 0.1345498 -2.0247005 18 Se -2.0013758 0.6774164 0.4069413 0.5680491 -1.7725673 -0.0898280 0.4310844 -0.1345498 -2.0247005 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 4 ] 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: 0.53, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.869 ( 0.000 0.000 0.000) 0.000 0.917 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.272 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 9.481 0.000 3.831) 10.226 0.330 ( 14.874 0.000 5.435) 15.836 0.604 ( 22.461 0.000 10.321) 24.719 0.766 ( -3.592 0.000 -5.816) 6.836 0.972 ( 1.137 0.000 -1.480) 1.867 1.038 ( 3.760 0.000 2.408) 4.465 1.055 ( -1.143 0.000 -0.919) 1.467 1.270 ( -0.761 0.000 1.091) 1.330 1.341 ( -5.191 0.000 0.990) 5.285 1.480 ( 2.316 0.000 -0.969) 2.510 1.562 ( 1.434 0.000 2.460) 2.848 1.634 ( 0.149 0.000 -1.744) 1.751 1.667 ( 0.842 0.000 3.840) 3.931 1.692 ( -1.368 0.000 -3.058) 3.350 1.846 ( 0.269 0.000 -0.544) 0.607 1.898 ( -3.422 0.000 -5.357) 6.356 1.902 ( 4.985 0.000 -4.979) 7.045 1.989 ( 0.365 0.000 0.384) 0.530 2.002 ( 0.476 0.000 4.760) 4.784 2.145 ( -3.596 0.000 -1.370) 3.848 2.236 ( -0.078 0.000 -3.501) 3.502 2.330 ( 4.079 0.000 -5.247) 6.646 2.373 ( -0.302 0.000 1.946) 1.969 2.387 ( -2.199 0.000 7.150) 7.480 2.610 ( -2.258 0.000 -1.756) 2.861 2.625 ( -0.888 0.000 2.560) 2.710 2.762 ( 1.315 0.000 -3.531) 3.768 2.774 ( 1.977 0.000 3.563) 4.074 2.844 ( -4.308 0.000 -1.440) 4.543 2.889 ( -2.035 0.000 1.261) 2.394 2.919 ( 5.798 0.000 2.162) 6.188 3.097 ( 1.426 0.000 -5.637) 5.815 3.110 ( -5.926 0.000 -2.462) 6.417 3.292 ( 5.042 0.000 -5.048) 7.134 3.499 ( 2.834 0.000 2.891) 4.049 3.569 ( -1.901 0.000 -1.217) 2.258 3.740 ( -0.795 0.000 10.173) 10.204 3.909 ( 0.384 0.000 1.047) 1.115 4.207 ( -1.664 0.000 -2.619) 3.103 4.309 ( -1.495 0.000 -1.857) 2.384 4.385 ( 0.376 0.000 2.902) 2.926 4.546 ( -1.880 0.000 -0.403) 1.922 4.632 ( 0.409 0.000 0.654) 0.772 4.794 ( -1.930 0.000 3.332) 3.850 4.896 ( 1.598 0.000 -3.088) 3.477 5.146 ( 0.483 0.000 -0.105) 0.494 5.494 ( 0.098 0.000 0.130) 0.163 5.501 ( -0.145 0.000 -0.059) 0.157 6.320 ( -2.893 0.000 -1.431) 3.228 6.428 ( -1.087 0.000 1.007) 1.482 6.627 ( 2.885 0.000 0.690) 2.966 6.933 ( 3.412 0.000 1.054) 3.571 7.022 ( -2.199 0.000 -0.020) 2.199 7.242 ( 1.936 0.000 0.252) 1.953 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 7.672 0.000 3.344) 8.369 0.641 ( 12.462 0.000 4.930) 13.402 0.696 ( 1.063 0.000 -3.401) 3.563 0.868 ( 1.379 0.000 1.636) 2.139 0.967 ( -0.243 0.000 -4.040) 4.047 1.089 ( -0.558 0.000 -1.624) 1.717 1.162 ( 9.708 0.000 4.806) 10.832 1.247 ( -2.602 0.000 3.305) 4.206 1.285 ( 0.015 0.000 0.375) 0.375 1.483 ( -1.502 0.000 -0.934) 1.768 1.566 ( -1.774 0.000 -1.790) 2.521 1.632 ( -0.875 0.000 4.290) 4.378 1.638 ( -1.261 0.000 -3.878) 4.078 1.786 ( 8.231 0.000 3.605) 8.986 1.795 ( -2.079 0.000 -3.815) 4.345 1.869 ( 3.546 0.000 -3.093) 4.706 1.979 ( 4.380 0.000 -1.108) 4.518 2.017 ( 3.459 0.000 -0.742) 3.538 2.033 ( -2.497 0.000 7.101) 7.527 2.072 ( -1.128 0.000 -2.840) 3.056 2.236 ( 2.485 0.000 -3.380) 4.195 2.344 ( 0.751 0.000 -2.280) 2.401 2.387 ( -1.752 0.000 2.153) 2.776 2.403 ( 3.605 0.000 -1.931) 4.090 2.555 ( -2.611 0.000 -0.319) 2.630 2.628 ( -0.395 0.000 0.560) 0.686 2.733 ( -2.569 0.000 -4.383) 5.081 2.766 ( -1.871 0.000 2.455) 3.087 2.815 ( 2.138 0.000 -4.355) 4.851 2.843 ( -4.586 0.000 4.487) 6.416 2.957 ( -6.538 0.000 -0.585) 6.564 3.081 ( 5.569 0.000 4.313) 7.044 3.096 ( 2.263 0.000 -3.389) 4.075 3.327 ( 0.539 0.000 0.797) 0.962 3.505 ( -3.059 0.000 -2.376) 3.873 3.569 ( 1.871 0.000 2.460) 3.090 3.819 ( 2.720 0.000 3.033) 4.074 3.911 ( -0.912 0.000 0.090) 0.917 4.150 ( -2.169 0.000 -1.297) 2.527 4.267 ( -1.125 0.000 -1.666) 2.010 4.411 ( -0.690 0.000 3.845) 3.906 4.494 ( -2.426 0.000 -1.480) 2.842 4.637 ( -0.412 0.000 0.389) 0.567 4.793 ( -1.435 0.000 4.025) 4.273 4.899 ( 1.594 0.000 -3.436) 3.788 5.160 ( 0.956 0.000 0.029) 0.956 5.495 ( -0.093 0.000 0.093) 0.132 5.497 ( -0.157 0.000 -0.080) 0.177 6.249 ( -2.815 0.000 -1.378) 3.134 6.425 ( -0.300 0.000 1.659) 1.686 6.689 ( 2.579 0.000 0.944) 2.746 6.954 ( -2.608 0.000 -2.149) 3.379 7.018 ( 2.132 0.000 2.700) 3.441 7.288 ( 2.174 0.000 0.721) 2.291 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 3.195 0.000 1.513) 3.535 0.740 ( 3.923 0.000 -0.340) 3.938 0.854 ( 5.455 0.000 3.094) 6.272 0.873 ( -0.607 0.000 0.948) 1.126 0.932 ( -0.006 0.000 -2.571) 2.571 0.989 ( -5.090 0.000 -2.907) 5.861 1.279 ( 1.349 0.000 2.942) 3.237 1.302 ( 0.571 0.000 0.082) 0.577 1.311 ( 2.760 0.000 1.933) 3.369 1.434 ( -1.491 0.000 -1.278) 1.964 1.518 ( -1.119 0.000 -1.391) 1.785 1.577 ( -1.643 0.000 -1.986) 2.577 1.643 ( -0.424 0.000 1.454) 1.514 1.763 ( 0.022 0.000 -0.997) 0.997 1.916 ( 4.424 0.000 -4.300) 6.169 1.958 ( 1.687 0.000 2.471) 2.991 1.990 ( -1.041 0.000 5.185) 5.289 2.026 ( -0.081 0.000 -0.928) 0.931 2.107 ( 2.740 0.000 0.896) 2.883 2.115 ( 5.850 0.000 1.651) 6.078 2.223 ( -1.702 0.000 -4.081) 4.422 2.340 ( -0.023 0.000 0.375) 0.376 2.372 ( -0.769 0.000 0.375) 0.855 2.458 ( 2.959 0.000 -1.717) 3.421 2.513 ( -1.354 0.000 -0.057) 1.355 2.617 ( 0.017 0.000 -1.907) 1.907 2.665 ( -1.884 0.000 0.180) 1.892 2.761 ( -0.552 0.000 1.041) 1.179 2.766 ( -2.259 0.000 -0.519) 2.318 2.825 ( -0.663 0.000 -0.960) 1.167 2.864 ( -2.569 0.000 1.092) 2.791 3.113 ( 1.176 0.000 -1.242) 1.710 3.191 ( 2.206 0.000 2.417) 3.272 3.342 ( 0.456 0.000 1.525) 1.591 3.425 ( -2.674 0.000 -2.222) 3.477 3.608 ( 0.628 0.000 0.933) 1.125 3.877 ( 1.461 0.000 0.651) 1.600 3.887 ( -0.828 0.000 -0.600) 1.023 4.113 ( -0.890 0.000 -0.286) 0.935 4.242 ( -0.341 0.000 -0.747) 0.821 4.417 ( -1.844 0.000 3.250) 3.737 4.452 ( 0.114 0.000 -2.221) 2.224 4.629 ( -0.409 0.000 0.147) 0.434 4.801 ( -0.439 0.000 1.747) 1.801 4.900 ( 0.663 0.000 -1.489) 1.630 5.177 ( 0.529 0.000 0.093) 0.537 5.493 ( -0.130 0.000 -0.003) 0.130 5.494 ( -0.062 0.000 -0.038) 0.073 6.202 ( -1.128 0.000 -0.550) 1.255 6.439 ( 0.238 0.000 0.974) 1.003 6.731 ( 1.005 0.000 0.389) 1.078 6.890 ( -1.785 0.000 -1.012) 2.052 7.064 ( 0.904 0.000 0.845) 1.238 7.325 ( 0.937 0.000 0.344) 0.999 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 0.000 15.962 0.000) 15.962 0.344 ( 0.000 17.148 0.000) 17.148 0.557 ( 0.000 27.571 0.000) 27.571 0.891 ( 0.000 -1.422 0.000) 1.422 0.899 ( 0.000 2.960 0.000) 2.960 1.015 ( 0.000 5.066 0.000) 5.066 1.092 ( 0.000 1.350 0.000) 1.350 1.359 ( 0.000 -1.991 0.000) 1.991 1.395 ( 0.000 -4.376 0.000) 4.376 1.424 ( 0.000 2.190 0.000) 2.190 1.532 ( 0.000 -0.511 0.000) 0.511 1.614 ( 0.000 -0.231 0.000) 0.231 1.674 ( 0.000 0.723 0.000) 0.723 1.722 ( 0.000 0.042 0.000) 0.042 1.869 ( 0.000 2.044 0.000) 2.044 1.884 ( 0.000 -0.819 0.000) 0.819 1.939 ( 0.000 -1.146 0.000) 1.146 1.986 ( 0.000 1.395 0.000) 1.395 2.042 ( 0.000 -1.665 0.000) 1.665 2.178 ( 0.000 -2.141 0.000) 2.141 2.193 ( 0.000 -3.075 0.000) 3.075 2.283 ( 0.000 -3.155 0.000) 3.155 2.288 ( 0.000 0.291 0.000) 0.291 2.374 ( 0.000 2.515 0.000) 2.515 2.576 ( 0.000 -2.303 0.000) 2.303 2.624 ( 0.000 -2.444 0.000) 2.444 2.663 ( 0.000 -1.240 0.000) 1.240 2.774 ( 0.000 -1.610 0.000) 1.610 2.789 ( 0.000 -5.731 0.000) 5.731 2.818 ( 0.000 3.594 0.000) 3.594 2.968 ( 0.000 -2.902 0.000) 2.902 3.007 ( 0.000 4.705 0.000) 4.705 3.186 ( 0.000 4.180 0.000) 4.180 3.224 ( 0.000 2.807 0.000) 2.807 3.588 ( 0.000 -0.409 0.000) 0.409 3.640 ( 0.000 -2.689 0.000) 2.689 3.658 ( 0.000 2.558 0.000) 2.558 3.888 ( 0.000 -2.130 0.000) 2.130 4.200 ( 0.000 -1.425 0.000) 1.425 4.403 ( 0.000 4.323 0.000) 4.323 4.460 ( 0.000 -4.517 0.000) 4.517 4.553 ( 0.000 -2.832 0.000) 2.832 4.655 ( 0.000 2.844 0.000) 2.844 4.718 ( 0.000 -1.664 0.000) 1.664 4.916 ( 0.000 1.826 0.000) 1.826 5.114 ( 0.000 -2.903 0.000) 2.903 5.495 ( 0.000 0.404 0.000) 0.404 5.510 ( 0.000 0.613 0.000) 0.613 6.372 ( 0.000 1.282 0.000) 1.282 6.592 ( 0.000 0.219 0.000) 0.219 6.761 ( 0.000 -0.456 0.000) 0.456 6.883 ( 0.000 -0.793 0.000) 0.793 7.017 ( 0.000 -1.949 0.000) 1.949 7.127 ( 0.000 0.686 0.000) 0.686 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 4.451 13.841 2.405) 14.736 0.437 ( 9.975 9.499 1.813) 13.893 0.767 ( 10.454 11.488 3.321) 15.884 0.821 ( -0.327 7.804 -1.338) 7.925 0.971 ( 3.250 0.201 1.551) 3.606 1.049 ( 1.132 1.682 -0.929) 2.230 1.085 ( 1.728 3.218 0.617) 3.704 1.289 ( -3.849 -1.002 2.008) 4.455 1.362 ( -3.147 3.678 -0.793) 4.905 1.453 ( 2.375 -2.716 -0.427) 3.633 1.560 ( 2.009 -0.475 1.746) 2.704 1.616 ( 1.001 -1.511 -2.688) 3.242 1.677 ( 0.370 1.140 2.714) 2.967 1.699 ( -1.316 0.666 -1.934) 2.432 1.854 ( -1.151 0.148 -0.092) 1.164 1.884 ( 0.673 0.668 -2.500) 2.674 1.938 ( 2.067 0.959 -5.754) 6.189 1.989 ( -1.067 -0.347 5.195) 5.315 2.009 ( 1.033 1.425 -0.934) 1.993 2.122 ( -3.972 -2.183 -1.044) 4.651 2.235 ( 0.117 -0.706 -2.863) 2.951 2.311 ( 0.957 -4.865 3.154) 5.876 2.330 ( 1.931 -3.178 1.426) 3.982 2.383 ( 1.521 2.513 -2.901) 4.128 2.582 ( -0.307 -1.585 -0.738) 1.776 2.609 ( -3.383 -2.524 2.978) 5.166 2.675 ( 1.385 -4.895 -1.196) 5.226 2.778 ( -0.444 -3.446 0.312) 3.488 2.842 ( 2.010 2.257 -2.944) 4.219 2.892 ( 6.463 -1.318 2.849) 7.185 2.979 ( -2.556 5.348 2.058) 6.274 3.062 ( 4.220 -3.013 -3.270) 6.130 3.083 ( -4.742 -3.276 -0.758) 5.813 3.273 ( 1.548 3.823 2.059) 4.610 3.548 ( -2.149 -0.731 -2.081) 3.080 3.585 ( -0.659 2.467 -1.537) 2.981 3.729 ( 1.624 -0.269 6.205) 6.420 3.892 ( 0.037 -2.041 0.426) 2.086 4.197 ( -0.332 -0.123 -0.488) 0.603 4.339 ( -3.716 1.797 -2.556) 4.855 4.437 ( -1.369 3.643 2.010) 4.380 4.496 ( -1.774 -4.357 -0.404) 4.722 4.647 ( -0.239 1.522 0.026) 1.541 4.765 ( 0.210 -2.557 2.088) 3.308 4.913 ( 0.383 1.429 -1.404) 2.040 5.118 ( 0.472 -2.893 -0.073) 2.933 5.497 ( 0.142 0.446 0.089) 0.477 5.508 ( -0.134 0.582 -0.077) 0.603 6.332 ( -2.991 1.380 -0.868) 3.407 6.521 ( -6.479 6.125 -2.726) 9.324 6.630 ( 2.289 0.480 1.805) 2.955 6.934 ( 3.429 -0.126 0.850) 3.535 7.009 ( -1.906 -1.184 -0.257) 2.259 7.209 ( 3.078 -2.635 0.983) 4.169 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 5.469 9.403 2.399) 11.139 0.675 ( 11.402 3.002 3.267) 12.234 0.758 ( 0.417 5.790 -2.085) 6.168 0.912 ( 0.562 4.752 0.721) 4.839 0.997 ( -0.393 2.567 -2.981) 3.954 1.080 ( 1.245 -0.416 0.284) 1.343 1.166 ( 1.384 0.463 -0.366) 1.505 1.269 ( 0.050 2.130 6.058) 6.422 1.327 ( 0.736 3.732 -0.584) 3.849 1.456 ( -0.641 -2.629 -1.749) 3.222 1.581 ( -0.412 1.340 -2.326) 2.716 1.626 ( 0.220 0.206 0.845) 0.897 1.665 ( -1.078 1.838 0.283) 2.150 1.772 ( 7.197 -0.685 2.744) 7.733 1.808 ( -1.313 0.721 -1.416) 2.061 1.893 ( 2.496 1.978 -2.113) 3.822 1.975 ( 1.807 -0.517 -1.123) 2.190 2.009 ( -1.436 -1.460 5.611) 5.973 2.029 ( 2.888 -0.968 -1.581) 3.432 2.055 ( -0.415 -0.070 -1.807) 1.856 2.245 ( 2.651 0.055 -1.867) 3.243 2.308 ( -1.365 -3.885 0.182) 4.122 2.367 ( -0.759 -2.174 1.606) 2.807 2.405 ( 5.055 1.252 -4.382) 6.806 2.541 ( -2.124 -1.225 0.647) 2.536 2.603 ( -0.164 -2.326 -0.439) 2.373 2.677 ( -0.715 -5.136 1.204) 5.323 2.755 ( -1.473 2.128 -2.564) 3.643 2.820 ( -0.628 -0.418 -3.226) 3.313 2.936 ( -5.930 2.708 0.940) 6.586 2.958 ( -1.988 4.002 1.252) 4.640 3.021 ( 3.459 -4.651 -0.221) 5.801 3.134 ( 3.691 0.585 0.934) 3.852 3.310 ( 0.130 0.176 2.117) 2.128 3.479 ( -3.296 -2.264 -2.184) 4.556 3.580 ( 0.039 0.458 1.354) 1.430 3.822 ( 3.311 0.151 2.966) 4.448 3.887 ( -0.638 -2.129 -0.210) 2.232 4.175 ( -1.365 2.368 -0.483) 2.776 4.268 ( -1.719 -0.146 -2.149) 2.756 4.434 ( -3.050 0.889 3.730) 4.900 4.457 ( -0.180 -1.981 -1.586) 2.544 4.643 ( -0.450 0.637 0.273) 0.826 4.775 ( -0.824 -1.912 2.514) 3.264 4.907 ( 0.581 0.648 -2.075) 2.250 5.132 ( 0.889 -2.936 0.074) 3.069 5.500 ( 0.042 0.510 -0.021) 0.512 5.505 ( -0.136 0.659 -0.016) 0.673 6.264 ( -2.834 1.544 -1.257) 3.463 6.454 ( -1.404 2.585 1.126) 3.150 6.690 ( 2.394 0.082 0.807) 2.528 6.952 ( -3.013 -0.356 -1.262) 3.286 7.010 ( 2.879 -0.587 1.571) 3.332 7.266 ( 2.227 -2.216 0.885) 3.264 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 2.532 6.861 1.153) 7.403 0.776 ( 2.308 3.578 -0.324) 4.270 0.885 ( 5.999 2.594 2.049) 6.849 0.920 ( 0.428 3.621 1.976) 4.147 0.957 ( -1.178 2.593 -1.628) 3.280 1.015 ( -3.948 3.001 -3.427) 6.028 1.191 ( 1.180 -3.983 -0.118) 4.156 1.300 ( -0.575 0.021 2.674) 2.735 1.364 ( 0.658 1.434 1.712) 2.328 1.428 ( 0.194 -0.230 -2.446) 2.464 1.547 ( -0.803 2.883 -1.400) 3.304 1.625 ( -0.300 3.205 -0.074) 3.220 1.649 ( -0.594 0.950 0.291) 1.158 1.783 ( -0.028 1.941 -0.600) 2.032 1.916 ( 3.177 -0.224 -3.640) 4.836 1.942 ( 4.189 -2.258 2.197) 5.241 1.955 ( -2.751 -1.736 4.513) 5.563 2.002 ( -1.557 -2.027 -1.587) 3.008 2.069 ( 1.998 -2.605 1.040) 3.444 2.134 ( 5.309 0.297 0.939) 5.400 2.251 ( -1.960 1.647 -2.101) 3.311 2.296 ( 0.879 -4.056 0.324) 4.163 2.359 ( -0.564 -1.040 0.474) 1.275 2.469 ( 3.245 0.117 -1.459) 3.559 2.526 ( -0.208 0.981 0.702) 1.224 2.586 ( -0.170 -3.056 -1.976) 3.644 2.672 ( -1.236 -1.148 0.675) 1.817 2.705 ( -0.525 0.424 -0.497) 0.838 2.791 ( -0.296 0.113 -1.431) 1.465 2.826 ( -4.413 1.906 0.001) 4.807 2.947 ( -0.594 5.703 0.884) 5.801 3.063 ( 1.333 -4.453 -0.514) 4.677 3.199 ( 1.184 -1.048 1.255) 2.018 3.328 ( 0.773 -0.172 1.728) 1.901 3.398 ( -2.775 -1.881 -2.045) 3.927 3.597 ( 0.348 -1.083 0.815) 1.399 3.870 ( -0.191 -1.759 -0.251) 1.787 3.883 ( 0.856 0.247 0.666) 1.112 4.155 ( -0.324 4.015 0.026) 4.028 4.233 ( -0.524 -1.166 -1.124) 1.702 4.389 ( -2.075 -2.590 0.721) 3.396 4.464 ( 0.341 1.614 0.228) 1.666 4.635 ( -0.378 0.523 0.130) 0.658 4.780 ( -0.344 -2.206 1.186) 2.528 4.902 ( 0.293 0.144 -1.002) 1.054 5.147 ( 0.479 -3.056 0.106) 3.095 5.500 ( -0.009 0.649 -0.013) 0.649 5.502 ( -0.089 0.750 -0.033) 0.756 6.216 ( -1.156 1.530 -0.537) 1.991 6.455 ( 0.007 1.506 0.910) 1.760 6.725 ( 0.824 -0.470 0.148) 0.960 6.894 ( -1.604 0.311 -0.689) 1.773 7.058 ( 1.041 -0.601 0.594) 1.341 7.303 ( 0.912 -2.211 0.384) 2.422 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 13.964 0.000) 13.964 0.645 ( 0.000 14.001 0.000) 14.001 0.875 ( 0.000 -0.018 0.000) 0.018 0.935 ( 0.000 7.225 0.000) 7.225 1.064 ( 0.000 15.351 0.000) 15.351 1.136 ( 0.000 7.373 0.000) 7.373 1.140 ( 0.000 5.488 0.000) 5.488 1.299 ( 0.000 -5.370 0.000) 5.370 1.309 ( 0.000 -2.434 0.000) 2.434 1.471 ( 0.000 2.356 0.000) 2.356 1.506 ( 0.000 -1.914 0.000) 1.914 1.609 ( 0.000 -0.238 0.000) 0.238 1.704 ( 0.000 2.926 0.000) 2.926 1.723 ( 0.000 -0.040 0.000) 0.040 1.844 ( 0.000 -2.982 0.000) 2.982 1.905 ( 0.000 -2.599 0.000) 2.599 1.917 ( 0.000 2.614 0.000) 2.614 2.013 ( 0.000 0.827 0.000) 0.827 2.031 ( 0.000 0.246 0.000) 0.246 2.111 ( 0.000 -4.391 0.000) 4.391 2.119 ( 0.000 -4.010 0.000) 4.010 2.185 ( 0.000 -5.551 0.000) 5.551 2.310 ( 0.000 2.365 0.000) 2.365 2.436 ( 0.000 2.750 0.000) 2.750 2.550 ( 0.000 -0.937 0.000) 0.937 2.568 ( 0.000 -3.188 0.000) 3.188 2.641 ( 0.000 -0.789 0.000) 0.789 2.681 ( 0.000 -5.470 0.000) 5.470 2.725 ( 0.000 -0.687 0.000) 0.687 2.893 ( 0.000 -4.361 0.000) 4.361 2.924 ( 0.000 4.572 0.000) 4.572 3.103 ( 0.000 4.956 0.000) 4.956 3.212 ( 0.000 -1.937 0.000) 1.937 3.279 ( 0.000 2.536 0.000) 2.536 3.565 ( 0.000 -3.372 0.000) 3.372 3.601 ( 0.000 0.407 0.000) 0.407 3.712 ( 0.000 2.918 0.000) 2.918 3.851 ( 0.000 -1.472 0.000) 1.472 4.206 ( 0.000 2.223 0.000) 2.223 4.347 ( 0.000 -6.498 0.000) 6.498 4.489 ( 0.000 4.412 0.000) 4.412 4.496 ( 0.000 -3.192 0.000) 3.192 4.671 ( 0.000 -3.239 0.000) 3.239 4.721 ( 0.000 3.848 0.000) 3.848 4.945 ( 0.000 0.976 0.000) 0.976 5.035 ( 0.000 -5.160 0.000) 5.160 5.508 ( 0.000 0.869 0.000) 0.869 5.522 ( 0.000 0.636 0.000) 0.636 6.408 ( 0.000 2.516 0.000) 2.516 6.600 ( 0.000 0.710 0.000) 0.710 6.745 ( 0.000 -1.302 0.000) 1.302 6.852 ( 0.000 -2.530 0.000) 2.530 6.990 ( 0.000 -0.658 0.000) 0.658 7.132 ( 0.000 -0.179 0.000) 0.179 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 2.989 10.990 0.397) 11.396 0.667 ( 1.919 12.638 0.689) 12.801 0.891 ( 2.129 4.874 -2.280) 5.787 0.970 ( 1.252 0.608 3.791) 4.038 1.071 ( -0.109 10.822 0.883) 10.858 1.093 ( -1.249 2.618 -3.722) 4.719 1.211 ( 4.537 9.137 -0.641) 10.221 1.259 ( -1.566 -0.418 4.988) 5.245 1.381 ( 2.200 -4.462 -0.158) 4.977 1.435 ( -1.870 3.089 -0.725) 3.683 1.542 ( 3.000 -1.226 2.486) 4.084 1.600 ( 1.625 0.630 -4.064) 4.422 1.703 ( 0.332 0.838 -2.707) 2.853 1.723 ( -1.037 2.284 4.247) 4.933 1.830 ( -1.649 -2.405 0.420) 2.946 1.907 ( 0.666 0.093 -0.893) 1.118 1.939 ( 2.032 0.499 0.211) 2.103 1.995 ( -1.279 0.546 -0.688) 1.551 2.032 ( 0.394 0.243 -1.052) 1.150 2.073 ( -2.137 -2.512 0.069) 3.299 2.161 ( 0.679 -5.796 0.826) 5.894 2.223 ( 3.795 -5.047 0.508) 6.335 2.298 ( -0.536 1.587 -0.159) 1.682 2.438 ( 1.003 1.829 -3.696) 4.244 2.553 ( 0.449 -2.056 -0.112) 2.107 2.565 ( -3.754 -1.127 1.966) 4.385 2.591 ( 0.513 -2.960 -1.285) 3.267 2.714 ( 1.583 -3.586 2.426) 4.610 2.822 ( 6.045 -1.565 1.024) 6.327 2.889 ( 1.004 -3.121 -4.801) 5.813 2.962 ( 2.183 -1.254 2.332) 3.432 3.093 ( -1.286 5.330 0.597) 5.515 3.109 ( -4.978 2.066 -1.859) 5.701 3.324 ( 1.006 0.284 1.851) 2.126 3.530 ( -3.381 -1.198 -0.465) 3.616 3.598 ( -0.443 0.178 -0.063) 0.482 3.747 ( 2.076 1.805 2.625) 3.803 3.849 ( 0.057 -1.926 -0.276) 1.947 4.218 ( 1.033 2.313 -0.363) 2.559 4.322 ( -1.705 -3.912 -1.703) 4.595 4.423 ( -4.253 -2.457 -0.214) 4.916 4.506 ( -0.449 3.666 1.776) 4.099 4.674 ( -0.018 -0.845 -0.324) 0.906 4.723 ( -0.083 0.256 0.525) 0.590 4.935 ( -0.812 0.573 -0.350) 1.053 5.040 ( 0.435 -5.106 0.019) 5.124 5.511 ( 0.205 0.957 0.113) 0.986 5.519 ( -0.091 0.599 -0.193) 0.636 6.372 ( -2.945 2.679 -0.505) 4.013 6.591 ( -3.951 1.378 -4.159) 5.900 6.652 ( -0.679 1.626 3.167) 3.624 6.909 ( 2.816 -2.751 0.833) 4.024 6.994 ( -0.055 0.026 -0.509) 0.513 7.162 ( 2.159 -2.109 0.844) 3.134 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 2.975 9.707 1.604) 10.279 0.743 ( 6.491 4.334 1.209) 7.898 0.885 ( -0.854 6.871 -0.777) 6.967 1.015 ( 0.338 2.404 -2.218) 3.288 1.060 ( -1.102 5.169 2.065) 5.674 1.084 ( 3.029 2.274 -0.677) 3.848 1.198 ( -2.091 3.032 -1.939) 4.162 1.322 ( -1.931 2.569 6.660) 7.395 1.361 ( 0.342 -2.084 -3.841) 4.383 1.427 ( 0.569 1.458 -0.597) 1.675 1.611 ( 2.662 2.073 -3.732) 5.031 1.635 ( 2.089 0.388 1.273) 2.477 1.696 ( -0.509 1.036 1.817) 2.152 1.769 ( 3.481 0.465 3.562) 5.002 1.806 ( 0.434 -0.957 -1.047) 1.483 1.924 ( 0.304 0.222 0.986) 1.056 1.960 ( -2.997 -0.072 -2.145) 3.686 1.982 ( 1.895 -2.251 -0.255) 2.954 2.004 ( 0.992 0.507 0.883) 1.421 2.075 ( 1.431 0.899 -0.839) 1.887 2.169 ( -0.343 -6.428 0.846) 6.492 2.274 ( 1.512 -1.856 -1.236) 2.695 2.315 ( 1.508 -1.528 1.272) 2.496 2.419 ( 0.412 -0.823 -1.997) 2.199 2.517 ( -1.425 -1.355 0.638) 2.068 2.548 ( -1.185 -3.847 -1.989) 4.490 2.610 ( 2.378 -0.463 0.058) 2.423 2.763 ( 1.880 -1.447 0.675) 2.466 2.843 ( -0.947 1.003 -4.886) 5.077 2.926 ( -0.439 -1.581 -1.342) 2.119 2.943 ( 0.514 -1.690 1.989) 2.660 3.050 ( -1.420 1.841 -0.102) 2.328 3.121 ( 1.572 1.510 1.728) 2.782 3.343 ( -0.244 0.665 1.863) 1.993 3.451 ( -3.932 0.313 -0.723) 4.010 3.579 ( -1.172 -0.140 0.398) 1.246 3.809 ( 1.490 -1.520 1.536) 2.625 3.854 ( 0.634 -1.091 0.833) 1.512 4.229 ( 0.882 2.943 -0.754) 3.163 4.254 ( -3.063 -1.160 -2.547) 4.149 4.373 ( -1.563 -3.511 0.757) 3.917 4.507 ( -1.076 3.851 2.261) 4.594 4.664 ( -0.559 1.240 -0.334) 1.400 4.723 ( -0.532 -2.966 0.805) 3.119 4.914 ( -0.755 -0.151 -0.736) 1.065 5.051 ( 0.622 -5.291 0.205) 5.331 5.513 ( 0.113 0.828 -0.225) 0.866 5.520 ( 0.072 0.872 0.100) 0.881 6.307 ( -2.861 2.837 -1.045) 4.162 6.503 ( -2.553 2.151 0.517) 3.378 6.695 ( 1.934 0.588 0.405) 2.061 6.928 ( -1.837 -2.192 0.569) 2.916 7.008 ( 2.576 0.496 -0.586) 2.688 7.212 ( 1.988 -3.182 1.021) 3.889 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 1.439 8.368 0.757) 8.525 0.861 ( 0.235 4.283 0.187) 4.293 0.881 ( 3.732 -1.359 1.282) 4.174 1.008 ( 1.798 4.233 -2.482) 5.226 1.041 ( -2.056 6.667 1.561) 7.149 1.103 ( -1.528 5.104 -2.166) 5.751 1.181 ( 2.025 2.341 0.665) 3.166 1.288 ( -3.115 -0.911 1.892) 3.756 1.358 ( 0.227 -1.412 -0.837) 1.657 1.440 ( 0.768 0.598 -0.182) 0.990 1.621 ( 0.652 4.435 -1.263) 4.657 1.658 ( 1.390 1.716 -1.132) 2.481 1.690 ( -1.480 1.948 1.848) 3.066 1.804 ( 0.838 -0.722 -0.279) 1.140 1.875 ( -2.754 -3.524 -0.406) 4.491 1.891 ( 3.673 -2.155 2.037) 4.721 1.949 ( 0.751 0.155 -0.430) 0.879 1.981 ( -1.503 -0.565 -0.582) 1.708 2.041 ( 1.436 1.047 -0.226) 1.792 2.113 ( 1.925 -2.476 0.986) 3.288 2.165 ( -0.542 -7.299 0.345) 7.327 2.284 ( 0.632 -0.374 -0.920) 1.177 2.338 ( 0.094 -1.315 0.949) 1.624 2.432 ( 1.106 -3.571 -0.256) 3.747 2.501 ( -1.980 -4.959 1.232) 5.480 2.521 ( 1.420 -1.798 -1.958) 3.014 2.653 ( 1.642 -0.416 -1.229) 2.093 2.786 ( 0.308 0.681 -0.258) 0.791 2.800 ( -0.595 6.619 0.468) 6.662 2.866 ( -1.540 0.415 -1.640) 2.288 2.997 ( 1.451 0.037 -0.112) 1.456 3.038 ( -0.094 2.727 0.948) 2.888 3.122 ( -1.512 -5.154 -0.011) 5.372 3.359 ( 0.312 1.926 1.320) 2.356 3.383 ( -1.944 0.901 -0.913) 2.329 3.572 ( -0.145 -1.204 0.456) 1.295 3.825 ( 0.218 -2.600 0.138) 2.613 3.878 ( 0.345 -0.909 0.816) 1.269 4.189 ( -1.575 -3.010 -1.180) 3.596 4.248 ( 1.213 4.954 -0.176) 5.103 4.350 ( -1.132 -1.119 0.069) 1.593 4.509 ( -0.340 2.912 1.073) 3.122 4.653 ( -0.367 1.449 -0.076) 1.496 4.719 ( -0.326 -4.004 0.399) 4.037 4.899 ( -0.236 -0.610 -0.429) 0.782 5.063 ( 0.300 -5.644 0.151) 5.654 5.514 ( 0.104 0.833 -0.080) 0.843 5.521 ( -0.022 1.086 0.022) 1.086 6.259 ( -1.209 2.807 -0.515) 3.099 6.487 ( -0.368 1.622 0.807) 1.849 6.718 ( 0.485 -0.134 -0.289) 0.580 6.895 ( -1.094 -0.350 -0.057) 1.150 7.046 ( 1.162 -0.447 0.057) 1.246 7.247 ( 0.821 -3.430 0.444) 3.554 ======================= Grid point 21 (13/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 8.529 0.000) 8.529 0.868 ( 0.000 8.313 0.000) 8.313 0.906 ( 0.000 4.752 0.000) 4.752 1.042 ( 0.000 4.885 0.000) 4.885 1.152 ( 0.000 0.460 0.000) 0.460 1.196 ( 0.000 -5.090 0.000) 5.090 1.259 ( 0.000 0.881 0.000) 0.881 1.290 ( 0.000 8.167 0.000) 8.167 1.332 ( 0.000 1.552 0.000) 1.552 1.472 ( 0.000 -1.221 0.000) 1.221 1.584 ( 0.000 11.017 0.000) 11.017 1.606 ( 0.000 -0.245 0.000) 0.245 1.713 ( 0.000 -1.058 0.000) 1.058 1.781 ( 0.000 0.240 0.000) 0.240 1.794 ( 0.000 2.266 0.000) 2.266 1.830 ( 0.000 -5.087 0.000) 5.087 1.944 ( 0.000 -1.501 0.000) 1.501 2.006 ( 0.000 0.048 0.000) 0.048 2.008 ( 0.000 -3.886 0.000) 3.886 2.048 ( 0.000 -3.177 0.000) 3.177 2.049 ( 0.000 -1.031 0.000) 1.031 2.126 ( 0.000 -0.516 0.000) 0.516 2.369 ( 0.000 2.322 0.000) 2.322 2.465 ( 0.000 0.454 0.000) 0.454 2.512 ( 0.000 -2.514 0.000) 2.514 2.552 ( 0.000 2.962 0.000) 2.962 2.582 ( 0.000 -4.093 0.000) 4.093 2.642 ( 0.000 0.481 0.000) 0.481 2.753 ( 0.000 2.703 0.000) 2.703 2.807 ( 0.000 -4.470 0.000) 4.470 2.962 ( 0.000 -0.680 0.000) 0.680 3.133 ( 0.000 -5.327 0.000) 5.327 3.192 ( 0.000 4.115 0.000) 4.115 3.313 ( 0.000 0.910 0.000) 0.910 3.497 ( 0.000 -3.376 0.000) 3.376 3.620 ( 0.000 0.895 0.000) 0.895 3.771 ( 0.000 3.243 0.000) 3.243 3.824 ( 0.000 -1.546 0.000) 1.546 4.246 ( 0.000 -3.296 0.000) 3.296 4.278 ( 0.000 4.881 0.000) 4.881 4.431 ( 0.000 -3.429 0.000) 3.429 4.569 ( 0.000 3.769 0.000) 3.769 4.596 ( 0.000 -4.253 0.000) 4.253 4.796 ( 0.000 3.880 0.000) 3.880 4.925 ( 0.000 -6.042 0.000) 6.042 4.948 ( 0.000 -0.662 0.000) 0.662 5.524 ( 0.000 0.580 0.000) 0.580 5.534 ( 0.000 0.689 0.000) 0.689 6.467 ( 0.000 3.459 0.000) 3.459 6.620 ( 0.000 1.369 0.000) 1.369 6.709 ( 0.000 -2.415 0.000) 2.415 6.795 ( 0.000 -3.146 0.000) 3.146 6.988 ( 0.000 0.206 0.000) 0.206 7.123 ( 0.000 -0.630 0.000) 0.630 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -0.444 8.319 -1.256) 8.425 0.870 ( -0.083 7.893 1.202) 7.984 0.945 ( 3.598 2.452 1.984) 4.784 1.038 ( -1.289 5.110 1.028) 5.369 1.104 ( -0.513 0.275 -4.212) 4.252 1.233 ( 0.743 0.266 -1.463) 1.663 1.251 ( -0.879 2.354 3.046) 3.949 1.314 ( -0.735 0.338 2.685) 2.805 1.338 ( 2.474 2.021 -2.040) 3.790 1.486 ( -1.269 0.819 0.969) 1.795 1.566 ( 2.378 5.221 1.376) 5.900 1.644 ( 2.827 3.857 -2.539) 5.414 1.694 ( -1.013 -1.658 -1.566) 2.496 1.783 ( -0.469 1.464 1.829) 2.389 1.791 ( -0.682 1.026 0.948) 1.555 1.849 ( 0.871 -5.246 1.790) 5.611 1.962 ( -0.260 0.225 -0.371) 0.506 1.998 ( 1.554 -1.608 -1.588) 2.743 2.012 ( 0.702 -2.128 0.159) 2.247 2.020 ( -1.187 -1.141 0.524) 1.727 2.069 ( 0.118 -3.537 1.517) 3.850 2.151 ( 2.105 -2.187 -0.947) 3.180 2.348 ( -1.275 2.260 -0.183) 2.601 2.444 ( -1.412 -0.078 -2.405) 2.790 2.505 ( 0.333 -1.962 -0.927) 2.195 2.566 ( -4.440 -1.317 0.270) 4.639 2.584 ( 1.240 3.135 1.585) 3.725 2.643 ( 4.298 -2.500 -0.000) 4.972 2.794 ( 0.658 -4.379 -3.029) 5.365 2.816 ( 2.762 -0.774 2.658) 3.911 2.965 ( 1.444 0.608 -1.731) 2.335 3.120 ( -1.281 -0.833 0.201) 1.541 3.187 ( 0.339 3.682 -1.177) 3.881 3.306 ( -1.275 -0.972 1.798) 2.409 3.492 ( -1.334 -2.623 0.813) 3.053 3.612 ( -0.604 0.809 -0.310) 1.056 3.789 ( 0.376 2.141 1.322) 2.544 3.819 ( -0.088 -1.107 0.362) 1.167 4.246 ( 0.147 -2.426 0.288) 2.447 4.281 ( 1.218 3.628 -2.852) 4.773 4.381 ( -4.365 -1.886 0.666) 4.802 4.579 ( -0.182 3.881 1.708) 4.245 4.605 ( 0.802 -4.821 0.107) 4.888 4.777 ( -1.506 3.633 -0.882) 4.031 4.917 ( -1.122 -4.355 0.448) 4.519 4.944 ( -0.198 -2.706 -0.247) 2.724 5.528 ( 0.254 0.425 0.077) 0.501 5.532 ( -0.035 0.883 -0.209) 0.908 6.433 ( -2.844 3.588 -0.293) 4.588 6.597 ( -3.122 -0.585 -2.481) 4.030 6.680 ( 0.275 1.416 1.983) 2.452 6.843 ( 2.546 -3.780 0.551) 4.590 7.004 ( 1.189 0.772 0.133) 1.423 7.126 ( 0.570 -1.685 -0.004) 1.779 ======================= Grid point 23 (15/75) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 1.693 4.897 -0.891) 5.257 0.886 ( 0.376 6.627 2.132) 6.971 1.004 ( -2.323 5.287 -0.186) 5.778 1.044 ( 3.204 1.563 2.666) 4.452 1.079 ( 1.245 1.072 -2.047) 2.624 1.221 ( 0.221 4.449 -1.979) 4.875 1.254 ( -0.588 2.130 0.425) 2.250 1.300 ( -1.538 -1.705 0.139) 2.301 1.357 ( -1.125 1.539 2.156) 2.878 1.459 ( -0.646 1.458 -1.085) 1.929 1.629 ( 0.113 -0.644 1.126) 1.302 1.667 ( 2.938 0.531 -4.931) 5.764 1.697 ( 1.263 1.314 3.726) 4.148 1.789 ( -0.053 1.250 0.463) 1.334 1.802 ( 1.529 1.489 1.030) 2.370 1.879 ( 0.383 -4.745 0.755) 4.820 1.940 ( -0.609 -1.001 0.449) 1.254 1.984 ( -1.548 1.889 -0.709) 2.543 2.013 ( 1.887 -1.047 -2.570) 3.356 2.060 ( -0.561 -3.739 1.558) 4.089 2.083 ( 1.640 -0.793 1.295) 2.235 2.182 ( 2.182 -5.414 -0.793) 5.891 2.330 ( -1.147 1.177 0.563) 1.737 2.389 ( -2.024 -1.571 -1.235) 2.844 2.473 ( -4.591 -2.648 1.901) 5.631 2.499 ( 0.279 -0.765 -3.172) 3.275 2.634 ( 2.519 1.781 -0.966) 3.233 2.718 ( 3.474 -3.060 -0.679) 4.679 2.785 ( 2.081 -3.652 -3.438) 5.430 2.881 ( 1.466 -3.909 2.928) 5.099 3.004 ( 3.245 5.804 0.382) 6.661 3.082 ( -2.849 3.393 -0.210) 4.435 3.185 ( -0.857 3.164 -1.215) 3.496 3.305 ( 0.340 -3.580 1.987) 4.108 3.462 ( -2.296 -0.645 0.947) 2.566 3.591 ( -1.195 1.224 -0.487) 1.779 3.785 ( -0.666 -0.903 0.143) 1.131 3.840 ( 0.498 -0.075 1.773) 1.843 4.224 ( -2.981 -1.267 -4.337) 5.413 4.273 ( 1.868 0.347 -0.037) 1.900 4.345 ( -0.731 1.625 2.630) 3.177 4.584 ( -1.032 4.077 1.896) 4.613 4.619 ( 0.591 -4.864 -0.058) 4.900 4.734 ( -1.903 3.078 -0.919) 3.734 4.894 ( -1.223 -2.428 -0.140) 2.722 4.940 ( -0.322 -5.667 0.318) 5.685 5.528 ( 0.151 0.648 -0.323) 0.739 5.536 ( 0.216 0.746 0.150) 0.791 6.369 ( -2.926 3.539 -1.023) 4.704 6.527 ( -2.504 0.213 0.575) 2.578 6.714 ( 1.467 1.356 -0.221) 2.010 6.876 ( 0.223 -3.063 0.905) 3.202 7.026 ( 1.449 1.256 -0.766) 2.065 7.151 ( 1.455 -3.086 0.810) 3.507 ======================= Grid point 24 (16/75) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.813 1.115 -0.037) 2.129 0.915 ( 0.308 5.850 2.398) 6.330 0.957 ( -1.367 4.292 -1.447) 4.731 1.091 ( 3.301 3.381 -2.238) 5.228 1.119 ( -0.346 1.981 3.084) 3.682 1.199 ( -0.800 4.283 -1.272) 4.539 1.254 ( -0.072 3.313 1.610) 3.685 1.271 ( -0.201 -0.623 -2.398) 2.485 1.345 ( -1.770 1.315 2.363) 3.232 1.439 ( -0.324 0.174 -0.986) 1.053 1.626 ( -0.190 -4.525 0.093) 4.530 1.684 ( 1.498 -1.654 -1.915) 2.941 1.741 ( 0.510 4.696 2.321) 5.263 1.793 ( -0.015 0.024 0.203) 0.205 1.844 ( 2.077 1.186 -1.749) 2.963 1.867 ( -1.547 -0.279 1.742) 2.346 1.941 ( -0.487 -2.473 0.651) 2.604 1.961 ( 0.027 0.471 -1.334) 1.415 2.021 ( 1.002 -4.487 -1.736) 4.915 2.040 ( -1.416 -4.211 0.603) 4.483 2.124 ( 0.808 3.321 1.193) 3.620 2.230 ( 3.364 -5.267 -0.283) 6.256 2.295 ( -3.182 -2.382 0.519) 4.009 2.361 ( -0.557 -3.519 -0.132) 3.565 2.434 ( -1.462 -1.653 2.861) 3.613 2.475 ( 0.342 -2.664 -3.640) 4.524 2.654 ( 0.795 0.451 -1.208) 1.515 2.751 ( 0.996 -3.622 -0.969) 3.879 2.829 ( 3.072 -0.607 -0.674) 3.203 2.942 ( 2.349 -1.275 3.232) 4.194 3.013 ( -3.114 3.699 -1.349) 5.020 3.066 ( 1.931 5.664 0.247) 5.990 3.121 ( -3.439 2.235 -0.656) 4.153 3.350 ( 2.012 -2.132 0.599) 2.993 3.425 ( -1.968 0.952 0.423) 2.226 3.571 ( -0.404 1.747 -0.200) 1.804 3.783 ( 0.105 -1.539 0.389) 1.591 3.854 ( -0.067 -1.254 0.752) 1.464 4.138 ( -2.108 -1.853 -2.049) 3.475 4.320 ( 2.239 0.838 0.333) 2.414 4.354 ( -0.547 2.839 0.871) 3.020 4.572 ( -0.997 3.548 0.688) 3.749 4.629 ( 0.416 -4.482 -0.018) 4.501 4.699 ( -0.997 2.874 -0.327) 3.060 4.875 ( -0.450 -1.954 -0.219) 2.017 4.937 ( -0.178 -7.156 0.268) 7.163 5.530 ( 0.151 0.735 -0.103) 0.758 5.539 ( 0.049 0.758 0.040) 0.760 6.319 ( -1.271 3.324 -0.555) 3.602 6.508 ( -0.504 0.457 0.796) 1.047 6.723 ( 0.140 0.594 -0.675) 0.910 6.878 ( -0.206 -1.320 0.431) 1.404 7.045 ( 0.822 0.340 -0.308) 0.942 7.180 ( 0.741 -3.283 0.465) 3.398 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 2.336 0.000) 2.336 0.969 ( 0.000 1.856 0.000) 1.856 1.029 ( 0.000 5.024 0.000) 5.024 1.097 ( 0.000 0.365 0.000) 0.365 1.117 ( 0.000 -2.801 0.000) 2.801 1.169 ( 0.000 2.475 0.000) 2.475 1.251 ( 0.000 -2.203 0.000) 2.203 1.345 ( 0.000 1.226 0.000) 1.226 1.416 ( 0.000 3.947 0.000) 3.947 1.484 ( 0.000 2.021 0.000) 2.021 1.587 ( 0.000 -0.940 0.000) 0.940 1.693 ( 0.000 -1.675 0.000) 1.675 1.735 ( 0.000 -3.042 0.000) 3.042 1.738 ( 0.000 -1.302 0.000) 1.302 1.783 ( 0.000 7.704 0.000) 7.704 1.876 ( 0.000 0.640 0.000) 0.640 1.881 ( 0.000 -2.801 0.000) 2.801 1.943 ( 0.000 -0.093 0.000) 0.093 2.005 ( 0.000 -0.938 0.000) 0.938 2.016 ( 0.000 -2.928 0.000) 2.928 2.039 ( 0.000 1.699 0.000) 1.699 2.117 ( 0.000 -0.827 0.000) 0.827 2.372 ( 0.000 -0.738 0.000) 0.738 2.466 ( 0.000 -0.470 0.000) 0.470 2.479 ( 0.000 -0.389 0.000) 0.389 2.530 ( 0.000 -1.375 0.000) 1.375 2.662 ( 0.000 1.579 0.000) 1.579 2.680 ( 0.000 8.042 0.000) 8.042 2.729 ( 0.000 -3.292 0.000) 3.292 2.783 ( 0.000 -1.013 0.000) 1.013 2.924 ( 0.000 -1.942 0.000) 1.942 3.046 ( 0.000 -2.847 0.000) 2.847 3.251 ( 0.000 1.800 0.000) 1.800 3.318 ( 0.000 -0.145 0.000) 0.145 3.444 ( 0.000 -1.777 0.000) 1.777 3.613 ( 0.000 -1.267 0.000) 1.267 3.809 ( 0.000 0.147 0.000) 0.147 3.824 ( 0.000 1.735 0.000) 1.735 4.220 ( 0.000 -0.113 0.000) 0.113 4.376 ( 0.000 -1.872 0.000) 1.872 4.378 ( 0.000 5.150 0.000) 5.150 4.501 ( 0.000 -4.934 0.000) 4.934 4.642 ( 0.000 2.922 0.000) 2.922 4.821 ( 0.000 -3.997 0.000) 3.997 4.865 ( 0.000 3.155 0.000) 3.155 4.921 ( 0.000 -2.053 0.000) 2.053 5.529 ( 0.000 0.109 0.000) 0.109 5.546 ( 0.000 0.377 0.000) 0.377 6.532 ( 0.000 2.775 0.000) 2.775 6.649 ( 0.000 1.312 0.000) 1.312 6.658 ( 0.000 -2.361 0.000) 2.361 6.742 ( 0.000 -1.981 0.000) 1.981 6.993 ( 0.000 0.164 0.000) 0.164 7.113 ( 0.000 -0.333 0.000) 0.333 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.272 2.797 0.719) 2.901 0.947 ( 0.150 1.619 -0.943) 1.879 1.035 ( -0.004 4.931 2.455) 5.508 1.107 ( 0.706 0.535 -0.706) 1.133 1.119 ( -0.543 0.831 0.596) 1.158 1.171 ( 0.757 -2.028 -0.466) 2.214 1.249 ( 0.324 -1.456 -0.808) 1.696 1.311 ( -2.454 -0.670 0.147) 2.548 1.446 ( 1.602 5.720 0.764) 5.989 1.526 ( 1.366 3.926 1.105) 4.301 1.583 ( 1.282 -3.088 -1.983) 3.888 1.673 ( -2.018 -1.582 0.616) 2.638 1.717 ( -0.253 0.910 -1.839) 2.067 1.744 ( -0.625 -2.500 1.972) 3.245 1.796 ( 1.697 2.959 0.979) 3.549 1.866 ( -1.079 2.083 1.728) 2.914 1.908 ( 2.063 -3.392 0.087) 3.971 1.949 ( -0.486 -0.240 -0.108) 0.552 2.003 ( 0.481 -2.552 0.474) 2.640 2.009 ( 0.068 -0.550 -0.846) 1.011 2.044 ( 0.331 1.729 0.324) 1.790 2.113 ( -0.208 -2.011 -0.591) 2.106 2.362 ( -0.640 -0.057 -0.682) 0.937 2.457 ( -1.803 1.089 -0.665) 2.208 2.489 ( 0.934 -0.103 -1.006) 1.376 2.512 ( -2.831 -2.967 1.910) 4.524 2.630 ( -0.710 1.807 -0.765) 2.086 2.685 ( -0.148 2.519 0.003) 2.523 2.720 ( 0.881 -0.713 -2.752) 2.977 2.787 ( 1.288 -2.721 -1.452) 3.342 2.988 ( 5.292 1.313 1.029) 5.549 3.088 ( 3.474 -1.626 1.119) 3.996 3.234 ( -1.778 1.443 0.272) 2.306 3.302 ( -2.096 0.160 0.742) 2.229 3.439 ( -0.543 -2.220 0.074) 2.287 3.612 ( -0.089 -0.695 0.066) 0.704 3.796 ( -1.187 0.069 -0.026) 1.189 3.837 ( 0.720 1.214 0.546) 1.514 4.228 ( 0.389 -0.012 1.408) 1.461 4.320 ( -2.561 -0.307 -4.709) 5.369 4.391 ( -0.266 3.453 1.873) 3.938 4.509 ( 0.518 -4.699 0.537) 4.758 4.651 ( 0.352 3.211 1.119) 3.419 4.811 ( -0.592 -3.822 -0.917) 3.974 4.848 ( -1.894 2.649 0.535) 3.300 4.906 ( -1.457 -2.234 -0.154) 2.672 5.532 ( 0.269 0.101 -0.077) 0.298 5.545 ( 0.002 0.398 -0.072) 0.404 6.503 ( -2.755 3.538 0.028) 4.485 6.568 ( -3.644 -2.401 -1.702) 4.684 6.715 ( 2.020 2.378 1.263) 3.367 6.773 ( 2.375 -3.380 0.302) 4.142 7.018 ( 1.893 0.489 1.000) 2.196 7.101 ( -0.601 -0.811 -0.938) 1.378 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.059 3.518 -1.404) 3.788 0.958 ( -0.812 0.992 2.566) 2.868 1.077 ( -1.467 1.825 0.059) 2.342 1.083 ( -0.127 2.149 3.454) 4.071 1.122 ( 2.198 3.433 -1.753) 4.438 1.199 ( 2.419 -3.922 -1.033) 4.723 1.251 ( 0.223 -0.103 -0.199) 0.316 1.276 ( -1.979 -2.163 1.976) 3.535 1.458 ( -0.633 5.303 -1.018) 5.437 1.509 ( -1.446 4.375 -1.536) 4.857 1.588 ( -0.873 -3.746 -0.730) 3.915 1.633 ( -1.227 -1.696 -0.361) 2.124 1.736 ( 1.231 0.147 1.482) 1.932 1.752 ( 0.162 -3.016 1.073) 3.206 1.855 ( 2.219 2.219 1.471) 3.466 1.871 ( 0.206 4.532 0.859) 4.617 1.907 ( -0.706 -2.853 -0.226) 2.948 1.961 ( 1.015 -3.059 -0.208) 3.229 1.999 ( -0.589 -1.637 0.378) 1.781 2.037 ( 1.645 1.640 -0.416) 2.359 2.059 ( 2.080 -0.096 -0.321) 2.107 2.110 ( 0.342 -2.895 0.139) 2.918 2.337 ( -0.931 -0.336 -1.559) 1.846 2.386 ( -4.836 1.723 0.369) 5.147 2.433 ( -5.226 -2.347 2.295) 6.171 2.491 ( 0.373 -0.187 -4.241) 4.261 2.651 ( 2.113 0.096 -0.595) 2.197 2.684 ( 0.213 -0.517 -0.940) 1.094 2.733 ( 3.761 -1.399 -1.649) 4.339 2.824 ( 3.008 -1.755 -0.109) 3.484 3.096 ( 4.545 3.847 -0.341) 5.964 3.167 ( 0.495 3.347 3.317) 4.738 3.207 ( 1.238 -1.589 -1.505) 2.515 3.248 ( -4.238 -0.677 2.128) 4.791 3.426 ( -0.878 -2.213 0.014) 2.381 3.613 ( 0.279 0.799 -0.052) 0.848 3.772 ( -1.192 -0.263 0.549) 1.339 3.846 ( -0.255 0.247 0.257) 0.439 4.212 ( -3.837 -0.082 -4.218) 5.703 4.266 ( 1.576 -0.332 2.198) 2.725 4.405 ( 0.472 3.376 0.868) 3.518 4.525 ( 0.697 -4.280 0.330) 4.349 4.666 ( -0.004 4.355 1.090) 4.489 4.786 ( -0.432 -1.348 -2.473) 2.849 4.812 ( -2.601 -0.948 1.951) 3.387 4.869 ( -2.160 -2.727 -0.095) 3.480 5.537 ( 0.329 0.247 -0.170) 0.445 5.546 ( 0.100 0.275 -0.006) 0.293 6.433 ( -3.357 2.591 -1.647) 4.549 6.514 ( -1.825 -1.180 1.354) 2.561 6.745 ( 0.899 1.665 -1.260) 2.273 6.820 ( 1.620 -2.364 1.553) 3.260 7.055 ( 0.817 1.808 -0.437) 2.031 7.097 ( 1.219 -2.476 0.476) 2.800 ======================= Grid point 31 (20/75) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.301 2.656 -0.517) 2.722 0.970 ( -0.608 0.301 3.382) 3.450 1.018 ( -1.225 1.591 -2.756) 3.410 1.141 ( 0.798 1.524 4.026) 4.378 1.157 ( 2.098 2.981 -1.564) 3.967 1.228 ( 1.812 -3.149 -2.925) 4.664 1.254 ( -0.425 1.110 2.245) 2.541 1.266 ( -0.765 -0.393 0.955) 1.285 1.432 ( -0.670 1.667 -0.004) 1.796 1.457 ( -1.734 3.661 -2.150) 4.586 1.556 ( -1.495 -0.428 0.402) 1.606 1.630 ( 0.579 -3.400 -0.740) 3.527 1.756 ( 0.284 -1.455 0.314) 1.516 1.772 ( 0.284 -3.927 1.911) 4.376 1.840 ( -0.856 0.571 -0.998) 1.434 1.910 ( -0.106 0.291 0.590) 0.666 1.928 ( 2.882 3.206 0.823) 4.389 1.954 ( -0.568 -0.654 -0.461) 0.981 1.997 ( -0.969 0.251 0.460) 1.101 2.026 ( -0.465 3.985 -1.468) 4.273 2.113 ( 0.200 -4.524 0.050) 4.529 2.128 ( 3.232 -4.333 -0.565) 5.435 2.304 ( -3.710 2.008 1.025) 4.341 2.313 ( -0.495 0.070 -0.475) 0.690 2.387 ( -1.646 -3.629 3.173) 5.093 2.447 ( -0.306 -0.317 -4.743) 4.764 2.664 ( 0.181 0.587 -0.512) 0.800 2.691 ( 1.076 -2.072 -0.914) 2.508 2.817 ( 3.764 -0.482 0.392) 3.815 2.879 ( 1.875 -2.138 0.542) 2.895 3.117 ( -0.599 4.019 -1.053) 4.197 3.151 ( -3.329 0.784 -0.712) 3.494 3.181 ( 0.142 5.050 1.858) 5.383 3.289 ( 2.528 -3.637 1.246) 4.601 3.407 ( -0.886 -1.592 -0.178) 1.831 3.620 ( 0.346 2.007 -0.086) 2.038 3.768 ( -0.022 -0.181 0.680) 0.704 3.836 ( -0.558 -0.552 0.010) 0.785 4.120 ( -2.184 -0.200 -2.036) 2.993 4.315 ( 1.259 -0.373 1.307) 1.853 4.420 ( 0.389 2.918 0.223) 2.952 4.536 ( 0.289 -3.581 0.020) 3.593 4.667 ( -0.345 5.520 0.352) 5.542 4.761 ( -0.289 2.939 -1.305) 3.229 4.794 ( -0.680 -6.580 1.034) 6.695 4.832 ( -1.363 -3.011 0.029) 3.306 5.541 ( 0.181 0.383 -0.068) 0.429 5.548 ( 0.054 0.159 0.010) 0.168 6.374 ( -1.400 1.885 -0.739) 2.461 6.506 ( -0.391 -0.401 0.947) 1.100 6.736 ( -0.235 0.608 -1.015) 1.207 6.853 ( 0.643 -0.959 0.760) 1.382 7.057 ( 0.223 0.648 -0.469) 0.830 7.129 ( 0.910 -1.709 0.529) 2.007 ======================= Grid point 63 (21/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( 12.584 0.000 10.344) 16.290 0.372 ( -1.971 0.000 15.240) 15.367 0.591 ( -2.242 0.000 25.019) 25.120 0.729 ( -4.235 0.000 -8.805) 9.771 0.906 ( 0.495 0.000 -3.447) 3.483 0.993 ( 2.990 0.000 0.938) 3.134 1.025 ( 0.077 0.000 -3.176) 3.177 1.322 ( 3.087 0.000 -0.772) 3.182 1.339 ( 0.122 0.000 -0.874) 0.882 1.470 ( -3.381 0.000 1.521) 3.707 1.538 ( 3.514 0.000 -1.371) 3.772 1.580 ( 1.918 0.000 -4.496) 4.888 1.704 ( 0.315 0.000 1.448) 1.482 1.737 ( -3.903 0.000 0.359) 3.919 1.777 ( -0.082 0.000 -3.271) 3.272 1.870 ( -1.935 0.000 -4.347) 4.758 1.900 ( -1.344 0.000 2.256) 2.626 2.030 ( -1.503 0.000 -0.225) 1.520 2.099 ( -1.596 0.000 7.550) 7.717 2.180 ( -3.355 0.000 -5.779) 6.683 2.192 ( -0.414 0.000 -0.513) 0.659 2.270 ( -0.817 0.000 -0.868) 1.192 2.361 ( 1.403 0.000 -1.269) 1.892 2.367 ( 11.390 0.000 -3.007) 11.780 2.592 ( 3.133 0.000 -0.962) 3.277 2.611 ( -1.799 0.000 -1.588) 2.399 2.696 ( -3.619 0.000 1.652) 3.978 2.774 ( 0.236 0.000 -1.136) 1.160 2.829 ( 6.958 0.000 3.322) 7.710 2.967 ( -1.810 0.000 3.237) 3.709 2.994 ( -1.500 0.000 -2.278) 2.728 3.033 ( -9.147 0.000 -1.253) 9.233 3.161 ( 4.617 0.000 1.579) 4.880 3.183 ( -3.574 0.000 -0.455) 3.603 3.487 ( 2.716 0.000 3.033) 4.072 3.588 ( -1.514 0.000 -0.739) 1.684 3.913 ( 1.122 0.000 1.352) 1.757 3.995 ( -2.727 0.000 -1.576) 3.149 4.299 ( -9.201 0.000 -0.025) 9.201 4.314 ( 0.821 0.000 -1.000) 1.294 4.416 ( -0.821 0.000 3.753) 3.841 4.576 ( -0.604 0.000 0.843) 1.038 4.606 ( 1.585 0.000 -1.783) 2.386 4.665 ( 4.832 0.000 -4.927) 6.901 4.972 ( -1.707 0.000 4.708) 5.008 5.124 ( 0.584 0.000 -1.720) 1.816 5.495 ( 0.071 0.000 0.220) 0.232 5.502 ( -0.154 0.000 -0.048) 0.161 6.368 ( -1.212 0.000 0.743) 1.422 6.422 ( 1.569 0.000 -1.223) 1.989 6.901 ( 2.293 0.000 0.795) 2.427 6.915 ( -20.844 0.000 0.125) 20.845 7.059 ( -1.376 0.000 1.381) 1.949 7.147 ( 6.700 0.000 -1.621) 6.894 ======================= Grid point 64 (22/75) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 3.723 0.000 11.631) 12.213 0.517 ( 4.939 0.000 -0.823) 5.007 0.628 ( 2.052 0.000 3.054) 3.679 0.836 ( 3.402 0.000 4.701) 5.803 0.881 ( 2.883 0.000 -2.975) 4.143 1.043 ( 2.142 0.000 -1.357) 2.536 1.049 ( 5.992 0.000 2.347) 6.435 1.324 ( -1.761 0.000 3.064) 3.534 1.351 ( -0.423 0.000 -2.414) 2.451 1.413 ( -0.064 0.000 -4.619) 4.620 1.581 ( -0.174 0.000 -1.253) 1.265 1.625 ( 6.735 0.000 -2.623) 7.228 1.672 ( -2.807 0.000 1.608) 3.235 1.730 ( -0.628 0.000 3.309) 3.368 1.775 ( 2.790 0.000 -1.580) 3.207 1.785 ( -2.887 0.000 -3.744) 4.728 1.921 ( 1.617 0.000 3.771) 4.103 1.993 ( -0.966 0.000 -0.326) 1.019 2.112 ( -2.572 0.000 2.551) 3.622 2.122 ( 1.513 0.000 -4.797) 5.030 2.180 ( -1.521 0.000 5.488) 5.695 2.257 ( 0.869 0.000 -0.659) 1.090 2.364 ( 1.100 0.000 -2.990) 3.186 2.425 ( 0.024 0.000 -3.144) 3.144 2.569 ( -1.404 0.000 -1.854) 2.326 2.645 ( -2.644 0.000 -1.303) 2.947 2.661 ( 3.425 0.000 0.148) 3.428 2.756 ( -0.438 0.000 -2.122) 2.167 2.859 ( -4.250 0.000 -1.174) 4.409 2.960 ( -1.632 0.000 2.829) 3.266 3.017 ( 7.662 0.000 5.325) 9.330 3.029 ( 1.252 0.000 -0.009) 1.252 3.080 ( -6.101 0.000 -0.213) 6.105 3.266 ( 4.791 0.000 -0.395) 4.807 3.532 ( -2.871 0.000 -2.160) 3.592 3.565 ( 2.311 0.000 2.630) 3.501 3.883 ( -4.530 0.000 2.291) 5.077 3.936 ( -0.665 0.000 1.106) 1.291 4.196 ( -3.510 0.000 1.070) 3.669 4.305 ( -2.000 0.000 1.363) 2.420 4.436 ( 0.340 0.000 1.877) 1.908 4.557 ( -2.547 0.000 1.247) 2.835 4.627 ( 0.970 0.000 -0.926) 1.341 4.693 ( 3.943 0.000 -7.207) 8.216 4.972 ( -2.376 0.000 5.181) 5.700 5.125 ( 1.307 0.000 -1.768) 2.199 5.499 ( 0.045 0.000 0.261) 0.265 5.499 ( -0.135 0.000 -0.100) 0.168 6.318 ( -4.206 0.000 0.715) 4.267 6.430 ( 0.447 0.000 -0.794) 0.911 6.731 ( -3.737 0.000 5.250) 6.444 6.965 ( 0.814 0.000 2.240) 2.383 7.042 ( -0.533 0.000 1.217) 1.329 7.216 ( 3.929 0.000 -2.340) 4.573 ======================= Grid point 65 (23/75) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 8.489 0.000 -4.996) 9.850 0.608 ( 1.787 0.000 11.099) 11.242 0.812 ( 6.205 0.000 7.943) 10.080 0.832 ( 1.318 0.000 -5.407) 5.565 0.888 ( 0.002 0.000 -1.565) 1.565 1.024 ( -2.432 0.000 -3.318) 4.114 1.225 ( 6.214 0.000 0.383) 6.226 1.321 ( -1.196 0.000 3.552) 3.748 1.335 ( -0.214 0.000 1.221) 1.239 1.366 ( 0.511 0.000 -7.171) 7.189 1.551 ( -1.116 0.000 -0.919) 1.446 1.654 ( -2.566 0.000 4.030) 4.777 1.707 ( 3.869 0.000 -3.555) 5.254 1.721 ( -0.788 0.000 -0.637) 1.013 1.741 ( 0.996 0.000 -0.554) 1.139 1.884 ( 6.458 0.000 3.399) 7.298 2.012 ( 3.200 0.000 3.750) 4.929 2.022 ( 4.336 0.000 0.480) 4.362 2.069 ( -3.009 0.000 2.304) 3.790 2.136 ( 3.185 0.000 -3.459) 4.702 2.212 ( -1.848 0.000 7.337) 7.566 2.299 ( 3.649 0.000 -0.957) 3.772 2.358 ( 1.265 0.000 -3.610) 3.825 2.388 ( -1.066 0.000 -2.131) 2.382 2.522 ( -1.616 0.000 -2.241) 2.763 2.579 ( -1.112 0.000 -1.952) 2.247 2.692 ( -0.890 0.000 -0.421) 0.984 2.725 ( -0.528 0.000 -2.540) 2.595 2.815 ( -0.971 0.000 1.018) 1.407 2.936 ( -4.241 0.000 2.704) 5.030 2.980 ( -4.181 0.000 2.826) 5.046 3.052 ( 1.806 0.000 -0.767) 1.963 3.179 ( 4.155 0.000 3.917) 5.710 3.319 ( 1.890 0.000 -2.024) 2.769 3.456 ( -2.880 0.000 -1.570) 3.280 3.609 ( 0.660 0.000 0.880) 1.100 3.868 ( 0.369 0.000 1.324) 1.375 3.899 ( -2.323 0.000 -1.388) 2.706 4.152 ( -2.322 0.000 1.391) 2.706 4.280 ( -1.840 0.000 2.409) 3.032 4.438 ( -1.571 0.000 -0.954) 1.838 4.509 ( -2.958 0.000 2.448) 3.840 4.621 ( -0.084 0.000 -1.921) 1.923 4.699 ( 2.982 0.000 -7.085) 7.687 4.978 ( -1.750 0.000 5.459) 5.733 5.144 ( 1.889 0.000 -1.398) 2.350 5.496 ( -0.112 0.000 -0.034) 0.117 5.498 ( -0.263 0.000 0.134) 0.295 6.250 ( -3.348 0.000 1.204) 3.558 6.431 ( 0.421 0.000 -1.040) 1.122 6.745 ( -0.019 0.000 3.502) 3.502 6.927 ( -3.492 0.000 -0.608) 3.544 7.073 ( 0.725 0.000 2.252) 2.366 7.265 ( 3.309 0.000 -2.756) 4.306 ======================= Grid point 66 (24/75) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -3.978 0.000 9.053) 9.889 0.712 ( 5.548 0.000 -1.607) 5.776 0.806 ( 1.529 0.000 -4.271) 4.536 0.909 ( -1.886 0.000 0.946) 2.110 0.915 ( 3.473 0.000 -0.659) 3.535 0.963 ( 0.934 0.000 1.365) 1.654 1.262 ( -1.968 0.000 -7.550) 7.802 1.269 ( 1.064 0.000 -4.057) 4.194 1.343 ( -0.006 0.000 3.161) 3.161 1.396 ( 1.212 0.000 3.790) 3.979 1.539 ( 0.446 0.000 -0.883) 0.989 1.652 ( -1.451 0.000 5.787) 5.966 1.687 ( -3.455 0.000 3.368) 4.825 1.750 ( 5.832 0.000 -7.782) 9.725 1.774 ( 1.057 0.000 1.729) 2.026 1.979 ( 0.792 0.000 -1.588) 1.775 2.025 ( -2.764 0.000 2.620) 3.808 2.080 ( -0.568 0.000 3.251) 3.300 2.130 ( 3.794 0.000 -2.643) 4.624 2.185 ( 4.559 0.000 2.272) 5.094 2.217 ( -3.077 0.000 5.141) 5.991 2.321 ( -0.101 0.000 -1.855) 1.858 2.358 ( -0.561 0.000 -0.895) 1.056 2.387 ( 5.142 0.000 -4.254) 6.674 2.484 ( -0.174 0.000 -1.299) 1.311 2.599 ( 2.251 0.000 0.316) 2.273 2.651 ( -0.956 0.000 -0.467) 1.064 2.712 ( 1.634 0.000 -1.925) 2.525 2.795 ( -2.574 0.000 1.114) 2.804 2.857 ( -4.683 0.000 1.654) 4.967 2.968 ( -2.440 0.000 6.709) 7.139 3.093 ( 3.050 0.000 -0.626) 3.113 3.211 ( -2.184 0.000 -0.474) 2.235 3.306 ( 0.099 0.000 -4.485) 4.486 3.431 ( 0.233 0.000 2.463) 2.474 3.607 ( -0.714 0.000 -1.042) 1.263 3.870 ( 0.817 0.000 -0.820) 1.158 3.887 ( 0.199 0.000 0.223) 0.299 4.132 ( -1.226 0.000 1.981) 2.329 4.281 ( -0.390 0.000 2.890) 2.917 4.370 ( -2.612 0.000 -2.574) 3.667 4.501 ( -0.997 0.000 2.878) 3.046 4.601 ( 0.422 0.000 -2.904) 2.934 4.687 ( 2.011 0.000 -6.934) 7.220 4.995 ( -1.433 0.000 5.392) 5.579 5.161 ( 0.989 0.000 -1.496) 1.793 5.494 ( -0.170 0.000 0.120) 0.208 5.495 ( -0.012 0.000 0.049) 0.051 6.221 ( -1.074 0.000 2.178) 2.429 6.417 ( -0.385 0.000 -2.711) 2.738 6.764 ( -0.908 0.000 2.503) 2.663 6.879 ( -0.247 0.000 -0.754) 0.794 7.089 ( -0.856 0.000 1.933) 2.113 7.288 ( 1.825 0.000 -3.492) 3.940 ======================= Grid point 67 (25/75) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -8.215 0.000 5.766) 10.037 0.715 ( -0.959 0.000 -1.832) 2.068 0.828 ( 2.103 0.000 -0.455) 2.151 0.829 ( -8.087 0.000 1.164) 8.170 0.977 ( 2.410 0.000 0.665) 2.500 1.057 ( 5.884 0.000 2.547) 6.412 1.161 ( -1.947 0.000 -7.031) 7.296 1.217 ( -2.987 0.000 -5.142) 5.946 1.351 ( -2.639 0.000 4.230) 4.986 1.451 ( 1.969 0.000 2.434) 3.131 1.538 ( 1.213 0.000 -3.883) 4.068 1.642 ( -3.844 0.000 2.195) 4.427 1.708 ( 1.265 0.000 7.298) 7.407 1.803 ( 5.366 0.000 -6.814) 8.673 1.805 ( 0.659 0.000 2.096) 2.197 1.891 ( -5.098 0.000 -3.459) 6.161 1.993 ( -3.832 0.000 3.147) 4.959 2.072 ( -2.465 0.000 2.683) 3.643 2.108 ( -3.132 0.000 0.811) 3.236 2.188 ( -4.010 0.000 4.998) 6.408 2.280 ( 3.412 0.000 -2.630) 4.308 2.302 ( -1.050 0.000 -0.432) 1.135 2.347 ( 0.009 0.000 -1.195) 1.195 2.451 ( 5.367 0.000 -4.426) 6.957 2.507 ( 1.283 0.000 3.054) 3.313 2.577 ( -0.116 0.000 -4.296) 4.298 2.712 ( 1.344 0.000 1.934) 2.355 2.733 ( 0.533 0.000 -1.722) 1.803 2.764 ( 0.895 0.000 2.137) 2.316 2.828 ( 2.329 0.000 -0.471) 2.376 2.986 ( -2.174 0.000 8.246) 8.528 3.122 ( -4.672 0.000 -2.853) 5.474 3.146 ( 1.703 0.000 1.425) 2.221 3.276 ( 1.202 0.000 -4.231) 4.398 3.488 ( 2.573 0.000 3.256) 4.149 3.568 ( -1.611 0.000 -2.564) 3.028 3.860 ( -2.998 0.000 -0.696) 3.078 3.894 ( 1.179 0.000 0.032) 1.180 4.146 ( 0.861 0.000 2.756) 2.887 4.310 ( 2.243 0.000 -2.489) 3.351 4.322 ( -1.721 0.000 3.016) 3.472 4.512 ( -0.243 0.000 2.718) 2.729 4.596 ( 1.769 0.000 -3.164) 3.625 4.660 ( 1.465 0.000 -7.154) 7.303 5.011 ( -1.702 0.000 5.263) 5.532 5.157 ( 0.082 0.000 -1.759) 1.761 5.494 ( 0.013 0.000 0.093) 0.094 5.496 ( 0.085 0.000 0.077) 0.115 6.246 ( 1.169 0.000 3.298) 3.499 6.381 ( -0.027 0.000 -3.747) 3.747 6.752 ( -2.340 0.000 2.366) 3.328 6.901 ( 2.714 0.000 -1.379) 3.044 7.076 ( -2.638 0.000 3.000) 3.995 7.275 ( 0.152 0.000 -3.915) 3.918 ======================= Grid point 68 (26/75) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -10.533 0.000 5.985) 12.115 0.614 ( -12.606 0.000 2.489) 12.849 0.745 ( 2.087 0.000 1.533) 2.590 0.833 ( -5.310 0.000 1.406) 5.493 1.009 ( 0.680 0.000 -0.321) 0.752 1.052 ( -7.623 0.000 -4.248) 8.727 1.062 ( -3.128 0.000 -4.620) 5.579 1.182 ( 5.753 0.000 -1.177) 5.872 1.336 ( -2.251 0.000 4.515) 5.044 1.497 ( 0.748 0.000 1.326) 1.522 1.518 ( 0.986 0.000 -5.082) 5.177 1.584 ( -1.406 0.000 -2.755) 3.093 1.743 ( -4.619 0.000 0.701) 4.672 1.777 ( -1.515 0.000 7.021) 7.182 1.860 ( 3.961 0.000 1.197) 4.138 1.881 ( 3.386 0.000 -4.189) 5.386 1.940 ( -2.945 0.000 1.973) 3.545 2.048 ( -2.702 0.000 3.649) 4.541 2.061 ( -3.180 0.000 2.785) 4.227 2.170 ( -2.141 0.000 4.597) 5.071 2.278 ( -0.739 0.000 0.925) 1.184 2.296 ( 2.221 0.000 -4.966) 5.440 2.326 ( -1.195 0.000 -2.329) 2.618 2.483 ( -2.799 0.000 -0.619) 2.867 2.541 ( 0.852 0.000 -5.231) 5.300 2.542 ( 2.579 0.000 1.024) 2.775 2.720 ( 1.623 0.000 -1.362) 2.119 2.723 ( 1.585 0.000 -3.790) 4.108 2.860 ( -0.250 0.000 -2.152) 2.166 2.864 ( 3.484 0.000 5.544) 6.548 3.020 ( -4.250 0.000 1.592) 4.538 3.058 ( 3.512 0.000 5.913) 6.878 3.156 ( -1.343 0.000 -0.431) 1.410 3.301 ( 3.718 0.000 -1.185) 3.902 3.509 ( -2.099 0.000 -2.752) 3.462 3.562 ( 2.158 0.000 2.678) 3.439 3.773 ( -4.838 0.000 0.543) 4.869 3.901 ( -0.028 0.000 -0.662) 0.663 4.211 ( 2.717 0.000 4.009) 4.843 4.301 ( 1.517 0.000 -3.931) 4.214 4.362 ( 0.082 0.000 4.933) 4.934 4.538 ( 0.706 0.000 2.280) 2.387 4.608 ( 1.069 0.000 -2.041) 2.304 4.632 ( 3.140 0.000 -8.077) 8.666 5.015 ( -2.453 0.000 4.792) 5.383 5.141 ( -0.030 0.000 -1.741) 1.741 5.494 ( -0.041 0.000 0.017) 0.045 5.499 ( 0.150 0.000 0.071) 0.166 6.312 ( 2.228 0.000 3.723) 4.339 6.367 ( 1.734 0.000 -3.224) 3.661 6.735 ( -1.759 0.000 5.339) 5.621 6.924 ( 1.327 0.000 -3.976) 4.192 7.056 ( -2.514 0.000 5.040) 5.632 7.235 ( -0.666 0.000 -3.814) 3.871 ======================= Grid point 69 (27/75) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( -15.895 0.000 -2.418) 16.078 0.409 ( -12.527 0.000 10.004) 16.031 0.608 ( -17.643 0.000 16.109) 23.891 0.816 ( 2.694 0.000 -2.150) 3.447 0.942 ( -2.606 0.000 -1.770) 3.151 0.967 ( -2.357 0.000 -2.117) 3.168 1.039 ( 1.965 0.000 -2.417) 3.115 1.261 ( 4.387 0.000 -2.152) 4.887 1.341 ( -1.098 0.000 3.190) 3.374 1.501 ( -1.321 0.000 1.298) 1.852 1.509 ( 1.857 0.000 -3.051) 3.572 1.567 ( 3.296 0.000 -4.785) 5.810 1.699 ( -1.282 0.000 1.669) 2.105 1.782 ( -2.573 0.000 3.802) 4.590 1.859 ( -1.920 0.000 -5.113) 5.461 1.916 ( 1.106 0.000 -2.615) 2.840 1.919 ( -1.695 0.000 0.357) 1.732 2.039 ( -1.405 0.000 2.901) 3.223 2.050 ( -0.516 0.000 6.418) 6.439 2.178 ( 0.393 0.000 1.069) 1.138 2.259 ( -2.593 0.000 -0.261) 2.606 2.281 ( 0.382 0.000 -2.761) 2.787 2.306 ( 0.286 0.000 -0.331) 0.437 2.357 ( -4.709 0.000 -3.713) 5.997 2.545 ( 3.144 0.000 -2.910) 4.284 2.621 ( 3.808 0.000 -0.621) 3.858 2.724 ( -0.378 0.000 2.319) 2.350 2.737 ( 0.264 0.000 -1.105) 1.136 2.804 ( -0.540 0.000 -4.791) 4.821 2.965 ( 2.294 0.000 4.123) 4.718 2.981 ( -2.763 0.000 3.735) 4.646 3.115 ( -0.579 0.000 -1.925) 2.010 3.179 ( 3.096 0.000 3.352) 4.563 3.290 ( -4.831 0.000 -8.702) 9.953 3.456 ( -1.121 0.000 -0.595) 1.269 3.600 ( 0.131 0.000 0.805) 0.816 3.827 ( 8.473 0.000 12.089) 14.762 3.895 ( 0.172 0.000 -0.230) 0.287 4.304 ( 1.893 0.000 -3.254) 3.764 4.312 ( 4.127 0.000 4.656) 6.222 4.397 ( -0.863 0.000 5.046) 5.119 4.568 ( 0.536 0.000 1.315) 1.420 4.603 ( 1.115 0.000 -1.512) 1.879 4.641 ( 3.234 0.000 -7.247) 7.935 4.992 ( -3.774 0.000 3.659) 5.257 5.129 ( 0.310 0.000 -1.662) 1.691 5.493 ( -0.069 0.000 0.087) 0.111 5.503 ( 0.122 0.000 0.113) 0.166 6.366 ( 0.475 0.000 1.642) 1.710 6.390 ( 2.837 0.000 -2.105) 3.533 6.867 ( 10.043 0.000 14.209) 17.400 6.894 ( -0.467 0.000 -2.454) 2.498 7.062 ( -1.076 0.000 3.297) 3.468 7.185 ( -1.789 0.000 -4.844) 5.163 ======================= Grid point 70 (28/75) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 4.287 11.784 6.260) 14.015 0.419 ( -0.375 9.419 9.020) 13.047 0.721 ( -2.613 4.905 -1.448) 5.743 0.869 ( -1.451 15.531 10.058) 18.560 0.935 ( 0.554 3.069 -2.287) 3.867 0.999 ( 1.153 0.480 -2.306) 2.622 1.045 ( 1.367 2.535 -1.159) 3.104 1.304 ( 4.582 -2.010 -4.471) 6.710 1.371 ( -2.673 2.419 1.906) 4.078 1.428 ( 0.331 -2.936 1.944) 3.536 1.544 ( 0.278 -0.205 -1.370) 1.412 1.605 ( 0.411 2.339 -2.587) 3.512 1.698 ( -0.470 -0.729 1.522) 1.752 1.722 ( -0.357 0.364 -0.137) 0.528 1.818 ( -0.523 2.539 -1.822) 3.168 1.864 ( -1.825 0.038 -3.069) 3.571 1.929 ( -1.565 1.914 1.959) 3.154 2.000 ( 0.065 -1.647 0.877) 1.867 2.100 ( -3.001 -0.910 4.107) 5.168 2.157 ( -0.920 -2.845 -2.425) 3.850 2.205 ( -0.718 0.391 -2.426) 2.560 2.273 ( -0.406 -0.402 -1.708) 1.801 2.308 ( 6.158 -3.247 -0.308) 6.968 2.336 ( 0.384 -2.065 -1.048) 2.348 2.557 ( 1.870 -2.097 -0.511) 2.856 2.598 ( -0.980 -2.332 -1.875) 3.149 2.690 ( -2.038 -0.485 1.480) 2.565 2.758 ( 3.419 -2.887 -1.842) 4.839 2.807 ( 1.812 -3.445 1.440) 4.150 2.842 ( -1.401 -2.614 1.125) 3.172 2.998 ( 0.091 -0.999 2.404) 2.605 3.067 ( -3.738 1.403 0.938) 4.101 3.207 ( -2.101 2.857 1.604) 3.892 3.238 ( 1.763 4.022 0.531) 4.424 3.521 ( 2.151 3.034 -0.325) 3.733 3.583 ( -1.681 -0.172 -0.655) 1.813 3.855 ( -1.498 -6.202 4.112) 7.590 3.901 ( 0.064 -3.970 0.820) 4.054 4.218 ( -1.396 -2.791 1.835) 3.620 4.351 ( 0.162 0.415 -3.191) 3.222 4.493 ( -0.635 1.864 1.604) 2.540 4.530 ( -2.100 -1.378 -0.169) 2.518 4.641 ( -0.518 2.385 -1.026) 2.648 4.683 ( 3.845 0.843 -2.764) 4.809 4.968 ( -1.584 -0.238 3.708) 4.039 5.098 ( 0.514 -2.644 -1.509) 3.087 5.498 ( 0.090 0.414 0.247) 0.491 5.509 ( -0.159 0.561 -0.112) 0.594 6.383 ( -1.105 1.526 1.005) 2.135 6.478 ( 1.391 4.123 -3.848) 5.809 6.846 ( -9.233 -4.476 2.414) 10.541 6.891 ( -0.248 -1.724 0.129) 1.747 7.057 ( -2.206 -1.101 1.981) 3.163 7.126 ( 4.916 -0.685 -0.643) 5.005 ======================= Grid point 71 (29/75) ======================= q-point: ( 0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 2.791 7.198 8.948) 11.818 0.544 ( 7.182 3.559 4.077) 8.993 0.681 ( 2.448 6.147 -3.372) 7.427 0.887 ( 0.451 3.299 -5.969) 6.835 0.955 ( 0.234 6.324 2.000) 6.637 1.048 ( 2.403 1.198 0.561) 2.743 1.099 ( 4.503 4.052 1.929) 6.357 1.333 ( 2.300 -0.670 -2.999) 3.838 1.350 ( -1.418 1.927 4.312) 4.931 1.405 ( -2.204 0.017 -2.675) 3.467 1.545 ( 0.790 -2.572 -1.445) 3.054 1.651 ( 2.593 0.897 2.474) 3.694 1.677 ( 0.574 0.590 0.559) 0.995 1.762 ( -2.349 3.030 -1.391) 4.078 1.780 ( 3.684 2.281 -1.087) 4.467 1.820 ( -0.803 1.374 -1.068) 1.917 1.934 ( 0.236 1.356 2.988) 3.290 1.996 ( 0.216 0.360 0.044) 0.422 2.081 ( -1.103 -2.512 0.865) 2.877 2.109 ( -1.924 -1.766 -0.452) 2.651 2.200 ( -0.001 1.286 2.279) 2.617 2.254 ( 1.345 -0.154 -1.982) 2.400 2.332 ( 0.672 -2.764 -1.842) 3.389 2.374 ( 1.466 -4.051 -1.534) 4.574 2.540 ( -0.934 -2.572 -2.854) 3.954 2.610 ( 0.173 -2.790 -1.602) 3.222 2.655 ( -0.388 -1.486 1.327) 2.030 2.763 ( -0.889 0.920 -2.480) 2.791 2.821 ( -0.699 -1.484 0.774) 1.814 2.918 ( 5.764 -6.305 -0.165) 8.544 3.023 ( -1.642 2.509 1.080) 3.188 3.060 ( -0.360 0.914 1.700) 1.963 3.105 ( -3.211 1.927 2.434) 4.467 3.306 ( 2.361 3.283 0.558) 4.083 3.516 ( -3.306 -0.877 -1.658) 3.801 3.580 ( 1.791 1.265 1.078) 2.444 3.846 ( -1.099 -2.644 3.250) 4.332 3.900 ( -0.641 -3.107 0.131) 3.176 4.203 ( -1.579 0.235 1.187) 1.990 4.311 ( -2.594 -0.126 -0.507) 2.646 4.450 ( -1.343 0.011 0.128) 1.349 4.528 ( -1.882 -0.434 2.097) 2.850 4.635 ( 0.628 0.890 -0.968) 1.457 4.714 ( 2.471 0.895 -4.213) 4.966 4.966 ( -2.076 -0.550 4.119) 4.646 5.100 ( 1.226 -2.560 -1.514) 3.217 5.500 ( -0.074 0.350 0.077) 0.366 5.507 ( 0.013 0.605 0.073) 0.609 6.334 ( -4.179 1.646 0.885) 4.578 6.466 ( -0.091 3.092 -1.812) 3.585 6.724 ( -3.203 -0.569 4.283) 5.379 6.966 ( 2.711 -0.346 2.285) 3.562 7.015 ( -2.119 -2.145 0.129) 3.018 7.201 ( 3.804 -1.443 -1.468) 4.325 ======================= Grid point 72 (30/75) ======================= q-point: ( 0.29 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 4.270 5.327 1.288) 6.948 0.674 ( 4.376 6.498 3.056) 8.409 0.804 ( 5.711 0.529 3.588) 6.765 0.876 ( 3.384 3.012 -2.748) 5.299 0.944 ( -0.303 5.297 -0.690) 5.350 1.042 ( -2.580 1.449 -2.874) 4.124 1.149 ( 1.608 -3.141 -1.404) 3.797 1.320 ( -0.701 -1.731 -5.390) 5.704 1.358 ( -0.359 1.512 2.419) 2.876 1.422 ( 2.215 5.016 3.361) 6.431 1.540 ( 0.286 -1.184 -1.223) 1.726 1.641 ( -1.085 -2.818 0.943) 3.163 1.696 ( -2.555 3.932 0.658) 4.735 1.753 ( 3.463 2.830 -5.824) 7.343 1.824 ( 0.075 3.759 2.578) 4.558 1.880 ( 5.362 -0.270 3.419) 6.365 1.981 ( 2.023 -1.519 2.576) 3.610 2.040 ( -1.320 -1.284 0.380) 1.880 2.058 ( 3.380 0.275 2.736) 4.357 2.102 ( 0.815 -2.456 -0.841) 2.721 2.238 ( 0.684 1.508 3.836) 4.178 2.281 ( 1.064 -2.545 -0.726) 2.853 2.345 ( 2.981 -0.477 -2.002) 3.623 2.371 ( 0.366 -0.761 -1.737) 1.932 2.497 ( -0.278 -2.530 -3.495) 4.324 2.573 ( -0.845 -0.753 -0.706) 1.334 2.682 ( 0.794 -3.674 -0.052) 3.759 2.723 ( -1.412 2.819 -1.136) 3.351 2.800 ( -1.734 -0.255 0.834) 1.941 2.950 ( -6.457 -0.609 1.225) 6.601 3.001 ( 2.561 -2.914 -0.391) 3.899 3.019 ( -0.518 1.943 2.397) 3.129 3.177 ( 2.944 -0.198 1.597) 3.356 3.327 ( 0.145 0.858 -1.065) 1.375 3.437 ( -3.210 -1.142 -0.938) 3.534 3.602 ( 0.028 -0.747 0.388) 0.843 3.871 ( 0.047 -1.060 0.654) 1.247 3.878 ( -0.179 -0.736 -0.207) 0.786 4.177 ( -1.658 2.101 0.819) 2.800 4.269 ( -1.846 -1.168 1.768) 2.811 4.414 ( -2.429 -2.720 -1.884) 4.105 4.508 ( -1.713 1.412 2.540) 3.373 4.634 ( -0.072 0.783 -0.890) 1.188 4.708 ( 1.493 0.469 -5.623) 5.836 4.966 ( -1.657 -1.161 4.536) 4.967 5.118 ( 1.677 -2.677 -1.234) 3.392 5.500 ( 0.025 0.429 0.042) 0.432 5.506 ( -0.222 0.744 0.113) 0.785 6.266 ( -3.416 1.682 1.294) 4.022 6.453 ( -0.056 2.020 -1.171) 2.335 6.736 ( 0.024 -0.854 2.890) 3.013 6.931 ( -3.448 0.195 -0.731) 3.530 7.052 ( 1.772 -1.895 1.895) 3.213 7.250 ( 2.917 -1.522 -2.217) 3.967 ======================= Grid point 73 (31/75) ======================= q-point: ( 0.43 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.959 2.821 4.372) 5.291 0.760 ( 2.104 4.722 1.078) 5.280 0.849 ( 2.273 3.767 -3.524) 5.637 0.938 ( 0.688 2.200 -0.518) 2.362 0.955 ( -0.773 3.505 -1.266) 3.805 0.994 ( 2.322 3.412 3.140) 5.186 1.166 ( 2.587 -5.278 -3.037) 6.616 1.241 ( -2.273 -1.601 -5.672) 6.317 1.385 ( -0.389 1.842 3.758) 4.203 1.456 ( -0.042 4.258 0.848) 4.341 1.550 ( 1.204 0.391 -0.417) 1.332 1.635 ( -1.410 -1.050 2.053) 2.703 1.687 ( 0.698 0.432 2.057) 2.215 1.756 ( 2.505 2.251 -4.961) 5.996 1.834 ( -0.882 3.248 1.858) 3.844 1.963 ( 0.585 -1.738 -1.284) 2.239 1.997 ( -2.468 -2.255 2.033) 3.913 2.043 ( 0.746 -2.774 3.307) 4.380 2.104 ( 0.054 -3.103 -0.718) 3.185 2.182 ( 5.600 0.011 1.180) 5.723 2.239 ( -3.825 0.261 2.461) 4.555 2.295 ( 1.053 -2.171 0.445) 2.453 2.347 ( -0.445 -0.783 -0.954) 1.312 2.408 ( 4.667 1.561 -4.535) 6.692 2.487 ( 1.358 -0.936 -1.455) 2.200 2.594 ( 1.427 0.045 1.393) 1.995 2.660 ( -0.611 -0.053 -1.257) 1.398 2.715 ( 0.390 1.747 1.116) 2.109 2.788 ( -0.314 0.371 1.049) 1.156 2.850 ( -4.748 -0.311 1.291) 4.930 3.009 ( -1.824 2.915 3.979) 5.259 3.063 ( 2.064 -3.340 0.788) 4.004 3.193 ( -1.041 -2.325 -1.697) 3.061 3.303 ( -0.288 0.569 -4.041) 4.091 3.406 ( -0.323 -1.711 2.717) 3.227 3.592 ( -0.705 -1.421 -1.305) 2.054 3.859 ( 0.551 -1.266 -0.681) 1.539 3.890 ( -0.171 -0.060 -0.058) 0.190 4.165 ( -0.687 3.002 1.256) 3.326 4.274 ( 0.039 -0.681 3.510) 3.576 4.347 ( -1.863 -2.047 -2.562) 3.771 4.497 ( -1.397 0.451 1.446) 2.060 4.621 ( -0.137 1.277 -1.279) 1.813 4.686 ( 1.639 -0.126 -6.259) 6.472 4.979 ( -1.280 -1.603 4.752) 5.176 5.133 ( 0.870 -2.939 -1.413) 3.375 5.501 ( -0.003 0.663 0.129) 0.675 5.503 ( -0.113 0.807 0.100) 0.821 6.236 ( -1.150 1.594 2.236) 2.976 6.432 ( -0.508 1.449 -2.723) 3.127 6.755 ( -0.504 -0.825 2.400) 2.587 6.883 ( -0.471 0.236 -0.981) 1.114 7.081 ( -0.346 -0.799 1.905) 2.094 7.271 ( 1.545 -1.785 -3.152) 3.939 ======================= Grid point 74 (32/75) ======================= q-point: (-0.43 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -6.474 4.585 4.054) 8.909 0.760 ( -0.395 4.329 -1.333) 4.546 0.831 ( -5.223 0.923 -1.271) 5.455 0.900 ( -0.684 5.828 1.234) 5.996 0.996 ( 2.433 1.648 0.897) 3.073 1.077 ( 3.873 2.273 1.542) 4.748 1.146 ( -1.978 -1.354 -6.345) 6.783 1.187 ( 1.096 -1.526 -3.020) 3.556 1.394 ( -2.021 3.048 4.041) 5.450 1.459 ( -0.038 0.722 0.882) 1.140 1.552 ( 1.012 1.449 -3.844) 4.231 1.636 ( -1.574 -0.384 2.301) 2.814 1.724 ( 0.201 0.797 4.784) 4.855 1.793 ( 5.606 0.136 -4.767) 7.360 1.825 ( -1.670 1.261 0.720) 2.213 1.889 ( -4.187 -0.420 -1.868) 4.604 1.977 ( -2.315 -0.910 2.455) 3.495 2.048 ( -2.743 -2.239 0.996) 3.678 2.099 ( -0.808 -1.638 2.528) 3.119 2.177 ( -4.613 -0.530 3.618) 5.886 2.247 ( 1.655 -3.575 -2.475) 4.653 2.304 ( -0.690 -0.000 1.148) 1.339 2.332 ( -0.226 -1.177 -1.251) 1.732 2.449 ( 3.615 -0.816 -4.320) 5.691 2.518 ( 0.763 0.122 2.118) 2.254 2.567 ( -0.264 -1.096 -3.471) 3.649 2.691 ( -3.726 -0.343 0.767) 3.819 2.749 ( 5.545 1.695 3.741) 6.900 2.809 ( 1.970 0.795 0.093) 2.126 2.830 ( 2.115 3.292 -0.831) 4.000 3.009 ( -2.358 1.593 6.154) 6.780 3.073 ( -2.335 -3.829 0.089) 4.486 3.158 ( 0.041 -0.815 -1.552) 1.753 3.263 ( 0.330 0.018 -4.111) 4.124 3.459 ( 2.434 -2.444 3.316) 4.785 3.558 ( -0.718 -0.940 -2.624) 2.878 3.859 ( -2.742 -0.613 -1.041) 2.996 3.877 ( 1.010 -1.532 0.232) 1.849 4.171 ( 0.171 2.357 1.769) 2.952 4.316 ( -0.548 -0.720 1.807) 2.021 4.321 ( 2.504 0.847 -0.336) 2.665 4.482 ( -0.762 -1.827 0.537) 2.051 4.615 ( 0.832 1.345 -1.548) 2.213 4.667 ( 1.891 0.637 -5.824) 6.156 4.993 ( -1.480 -1.740 4.690) 5.217 5.128 ( 0.083 -2.972 -1.664) 3.407 5.501 ( -0.045 0.735 0.131) 0.748 5.504 ( 0.056 0.746 0.095) 0.754 6.260 ( 1.050 1.474 3.242) 3.713 6.399 ( 0.436 1.708 -3.639) 4.043 6.750 ( -2.194 -0.177 2.362) 3.228 6.895 ( 2.398 -0.593 -1.585) 2.935 7.074 ( -2.307 -0.128 2.918) 3.722 7.256 ( -0.024 -1.925 -3.636) 4.114 ======================= Grid point 75 (33/75) ======================= q-point: (-0.29 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -8.581 6.509 4.426) 11.644 0.643 ( -11.063 3.176 0.015) 11.510 0.785 ( 2.377 3.967 0.740) 4.683 0.916 ( -1.698 7.455 2.879) 8.170 1.008 ( -3.107 -1.225 -2.408) 4.118 1.053 ( -0.692 2.110 -1.501) 2.681 1.119 ( -2.292 3.837 -5.541) 7.119 1.171 ( 2.782 0.264 -1.021) 2.976 1.386 ( -2.318 4.278 4.399) 6.559 1.466 ( -0.467 -2.857 0.318) 2.912 1.539 ( 0.977 1.698 -3.931) 4.392 1.592 ( -0.494 0.945 -2.479) 2.698 1.742 ( -4.233 -0.219 0.204) 4.243 1.783 ( -1.005 0.329 6.845) 6.926 1.847 ( 0.222 -1.165 1.028) 1.569 1.878 ( 4.256 -0.054 -3.508) 5.516 1.951 ( -2.433 0.773 2.890) 3.856 2.003 ( -1.656 -1.642 1.113) 2.584 2.101 ( -1.791 0.772 2.146) 2.900 2.139 ( -2.955 -2.064 5.491) 6.568 2.245 ( 1.683 -4.770 -3.742) 6.292 2.290 ( -1.108 0.868 1.035) 1.747 2.310 ( -1.111 -1.516 -2.442) 3.082 2.482 ( 2.548 -1.502 -4.404) 5.305 2.506 ( -2.383 -1.101 1.328) 2.942 2.555 ( 0.185 0.473 -1.723) 1.796 2.644 ( 0.495 -3.036 -0.707) 3.156 2.817 ( -1.342 -2.598 0.006) 2.924 2.854 ( 1.553 7.074 -3.765) 8.163 2.904 ( 6.582 3.266 3.651) 8.205 2.981 ( -5.075 -3.747 0.476) 6.326 3.049 ( -0.189 -0.723 4.107) 4.175 3.165 ( -0.006 -3.874 2.135) 4.423 3.244 ( 0.626 0.853 -3.088) 3.264 3.529 ( 2.010 -1.510 0.115) 2.517 3.543 ( 1.684 0.254 -0.092) 1.705 3.781 ( -4.006 0.407 0.537) 4.062 3.889 ( 0.085 -1.278 0.010) 1.281 4.198 ( 0.800 -0.159 1.499) 1.707 4.330 ( 2.094 2.263 -1.482) 3.421 4.372 ( 1.410 -0.181 2.670) 3.025 4.489 ( 0.893 -3.051 1.163) 3.386 4.623 ( 1.195 1.527 -1.463) 2.429 4.663 ( 2.443 1.825 -4.969) 5.829 4.998 ( -2.092 -1.663 4.172) 4.954 5.113 ( -0.019 -2.821 -1.582) 3.234 5.501 ( -0.161 0.618 0.053) 0.640 5.506 ( 0.129 0.697 0.105) 0.717 6.315 ( 1.619 0.825 2.560) 3.139 6.410 ( 3.750 3.576 -2.275) 5.659 6.727 ( -2.339 -0.739 4.284) 4.937 6.918 ( 1.596 -0.710 -3.249) 3.689 7.055 ( -2.630 -0.067 4.346) 5.080 7.215 ( -0.989 -1.946 -3.395) 4.036 ======================= Grid point 76 (34/75) ======================= q-point: (-0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -9.333 11.930 -1.078) 15.185 0.440 ( -9.248 7.065 6.683) 13.420 0.802 ( -8.095 9.717 4.946) 13.580 0.860 ( 0.512 7.453 2.236) 7.798 0.936 ( -2.552 1.055 0.321) 2.780 1.031 ( -2.232 5.699 -1.958) 6.426 1.047 ( 0.951 1.028 -3.157) 3.454 1.232 ( 5.253 -2.245 -2.725) 6.329 1.384 ( -0.991 3.450 2.382) 4.307 1.440 ( -1.569 -3.729 -0.515) 4.079 1.539 ( 1.061 0.927 -1.156) 1.823 1.605 ( 2.986 3.014 -2.962) 5.175 1.686 ( -1.742 -1.036 1.576) 2.568 1.782 ( -3.275 -0.026 2.239) 3.967 1.847 ( -0.764 -1.111 -2.298) 2.665 1.902 ( 0.338 -0.217 -1.323) 1.383 1.946 ( -0.681 0.534 1.494) 1.726 1.997 ( -1.202 -0.726 1.369) 1.961 2.083 ( -0.409 0.323 3.369) 3.409 2.152 ( -0.078 -2.246 2.726) 3.533 2.233 ( -1.297 -3.351 -0.988) 3.727 2.256 ( -0.261 -2.620 -3.305) 4.225 2.302 ( 0.281 0.402 1.882) 1.945 2.387 ( -4.603 2.671 -4.844) 7.196 2.518 ( 2.704 -2.246 -2.483) 4.303 2.599 ( 4.012 -1.824 -0.281) 4.416 2.667 ( 0.654 -3.057 0.841) 3.237 2.766 ( -1.888 -2.169 -2.335) 3.704 2.827 ( -1.670 4.350 -1.866) 5.020 2.889 ( -4.946 -6.528 1.963) 8.422 3.011 ( -1.152 0.900 2.667) 3.042 3.095 ( 5.273 0.030 0.170) 5.276 3.147 ( -3.586 -4.549 1.871) 6.087 3.252 ( 0.460 3.595 1.016) 3.764 3.526 ( 0.524 2.767 -4.690) 5.470 3.590 ( 0.786 -0.930 1.205) 1.713 3.789 ( 1.678 -2.611 7.795) 8.390 3.887 ( 0.076 -1.160 0.068) 1.164 4.218 ( 0.013 -3.259 1.358) 3.530 4.357 ( 1.996 2.545 -2.756) 4.250 4.430 ( 2.815 -1.609 2.510) 4.100 4.536 ( 2.027 -0.528 2.396) 3.183 4.636 ( 1.458 2.275 -0.894) 2.846 4.666 ( 1.496 1.648 -4.236) 4.785 4.982 ( -2.801 -0.916 3.262) 4.396 5.103 ( 0.257 -2.690 -1.453) 3.068 5.497 ( -0.161 0.420 0.071) 0.455 5.510 ( 0.084 0.659 0.096) 0.671 6.361 ( 1.619 0.845 1.261) 2.219 6.471 ( 3.578 5.369 -3.709) 7.442 6.789 ( 3.661 -4.704 7.810) 9.825 6.921 ( 1.756 -0.127 0.960) 2.006 7.044 ( -1.866 -1.377 2.233) 3.220 7.158 ( -2.685 -1.597 -2.845) 4.225 ======================= Grid point 77 (35/75) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -0.674 13.110 1.222) 13.184 0.649 ( 1.571 12.377 2.136) 12.658 0.812 ( 0.351 4.721 -2.310) 5.268 0.970 ( 1.777 1.335 0.440) 2.266 0.999 ( 0.774 1.841 -8.757) 8.981 1.112 ( -0.330 3.824 -2.589) 4.630 1.216 ( -1.128 13.908 7.800) 15.986 1.278 ( 2.040 0.379 -0.421) 2.117 1.355 ( 0.328 -1.443 4.451) 4.690 1.423 ( 0.555 1.406 -0.503) 1.593 1.551 ( -1.320 1.439 -1.773) 2.638 1.634 ( -2.445 0.174 3.563) 4.325 1.691 ( -0.488 0.269 0.021) 0.558 1.759 ( 2.566 3.195 -0.215) 4.104 1.847 ( -1.454 -0.984 -3.244) 3.689 1.859 ( 0.041 0.041 2.095) 2.095 1.952 ( -0.812 0.992 2.280) 2.616 2.002 ( 0.789 1.003 0.180) 1.289 2.054 ( -2.924 -4.004 -0.147) 4.960 2.080 ( 1.448 -4.191 -2.087) 4.901 2.173 ( 0.026 -3.202 0.552) 3.250 2.185 ( 0.311 -5.260 2.930) 6.030 2.319 ( -1.396 1.436 -0.026) 2.003 2.355 ( 0.285 3.638 -5.149) 6.311 2.517 ( 3.081 -2.266 -1.743) 4.203 2.540 ( -1.411 -3.051 -2.565) 4.228 2.676 ( -2.877 -1.993 1.516) 3.814 2.717 ( 3.497 -2.928 2.929) 5.420 2.720 ( 2.402 -0.286 -0.403) 2.453 2.834 ( -1.225 -1.383 -2.872) 3.415 2.983 ( -0.977 -0.594 2.944) 3.158 3.079 ( -0.138 -0.286 -1.630) 1.661 3.245 ( -4.783 1.176 2.249) 5.415 3.296 ( 3.629 1.952 0.647) 4.171 3.560 ( 1.265 -0.086 -0.004) 1.268 3.588 ( -0.759 0.553 -0.340) 0.999 3.777 ( 0.284 -0.835 3.697) 3.801 3.852 ( -0.682 -1.415 -0.058) 1.571 4.196 ( 0.132 0.483 -0.034) 0.502 4.299 ( 0.488 -4.828 -3.389) 5.919 4.517 ( -1.066 -0.257 1.778) 2.089 4.524 ( -0.452 1.540 1.665) 2.313 4.661 ( 0.388 -1.255 -0.405) 1.375 4.710 ( 0.417 2.849 -1.169) 3.107 4.963 ( -0.662 -0.461 1.454) 1.663 5.027 ( 0.256 -4.527 -0.792) 4.603 5.511 ( 0.235 0.816 0.214) 0.875 5.521 ( -0.314 0.657 -0.136) 0.741 6.423 ( -0.851 2.553 1.331) 3.002 6.543 ( 0.364 2.471 -3.718) 4.479 6.776 ( -3.097 -2.718 2.048) 4.601 6.845 ( 1.372 -2.902 -0.689) 3.283 7.031 ( -1.092 -1.115 2.687) 3.108 7.120 ( 1.495 -0.379 -1.066) 1.875 ======================= Grid point 78 (36/75) ======================= q-point: ( 0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 3.640 7.820 2.629) 9.018 0.705 ( 1.918 9.543 2.810) 10.131 0.828 ( 2.691 8.220 -3.631) 9.381 0.950 ( 1.686 2.888 -7.592) 8.296 1.028 ( 2.604 1.203 2.254) 3.648 1.079 ( 0.106 2.004 -3.918) 4.402 1.202 ( -3.297 5.961 1.635) 7.005 1.354 ( 1.270 1.925 -0.860) 2.462 1.373 ( 1.278 1.012 4.227) 4.531 1.435 ( -1.346 2.958 -0.167) 3.254 1.520 ( 1.028 0.865 -0.522) 1.441 1.642 ( -1.482 -0.338 2.177) 2.655 1.706 ( 3.406 1.183 2.676) 4.490 1.795 ( -0.372 -0.743 -1.823) 2.003 1.834 ( 0.878 2.517 4.455) 5.191 1.854 ( 0.352 3.007 -3.291) 4.472 1.954 ( -0.583 0.030 2.106) 2.185 1.992 ( -0.929 -2.148 -1.176) 2.619 2.043 ( 0.582 -0.516 -0.566) 0.962 2.062 ( -0.714 -2.145 0.848) 2.414 2.181 ( -0.752 -3.564 1.709) 4.023 2.215 ( 2.484 -4.544 -0.530) 5.205 2.308 ( 0.509 1.306 0.575) 1.515 2.352 ( 2.435 2.259 -2.983) 4.465 2.481 ( -1.012 -3.113 -4.030) 5.192 2.558 ( 1.251 -2.622 -1.168) 3.131 2.623 ( -2.716 -0.858 2.184) 3.590 2.773 ( 1.750 -4.351 1.011) 4.797 2.782 ( -0.727 -2.189 -4.092) 4.697 2.826 ( 5.043 0.523 0.431) 5.089 3.016 ( 0.689 -3.625 2.001) 4.197 3.080 ( 0.273 1.273 -0.325) 1.342 3.140 ( -5.075 2.414 2.244) 6.052 3.353 ( 1.135 0.769 0.326) 1.409 3.524 ( -3.831 1.275 -0.396) 4.057 3.594 ( 0.150 -0.038 0.069) 0.169 3.813 ( 0.583 -0.912 1.975) 2.252 3.851 ( 0.697 -1.208 0.562) 1.504 4.200 ( 0.127 -0.290 -0.270) 0.416 4.276 ( -0.481 -3.006 -2.319) 3.827 4.436 ( -4.529 -0.444 1.264) 4.722 4.564 ( -0.400 2.880 2.447) 3.800 4.654 ( -0.067 0.291 -1.169) 1.207 4.714 ( 0.642 -0.147 -1.131) 1.309 4.953 ( -1.684 -0.954 1.599) 2.511 5.032 ( 0.930 -4.364 -0.698) 4.517 5.511 ( -0.179 0.725 -0.125) 0.757 5.521 ( 0.206 0.766 0.247) 0.831 6.377 ( -4.160 2.759 1.025) 5.095 6.523 ( -0.355 2.471 -2.163) 3.303 6.714 ( -2.183 -0.405 2.353) 3.235 6.921 ( 4.008 -3.813 0.058) 5.532 7.002 ( -2.519 0.582 1.024) 2.781 7.165 ( 3.044 -2.193 -0.612) 3.801 ======================= Grid point 79 (37/75) ======================= q-point: ( 0.29 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 2.724 5.672 1.026) 6.375 0.802 ( 5.444 3.671 3.620) 7.498 0.847 ( 2.234 6.554 -1.848) 7.166 0.937 ( 1.924 3.310 -3.242) 5.017 1.046 ( 1.156 3.643 -4.623) 5.999 1.075 ( 0.184 3.057 -1.023) 3.229 1.160 ( -1.426 3.607 0.803) 3.961 1.307 ( -3.024 0.871 -1.223) 3.376 1.408 ( -1.020 3.424 1.026) 3.717 1.457 ( 2.987 -0.947 1.226) 3.365 1.542 ( 0.941 1.649 0.308) 1.923 1.623 ( -0.217 0.721 -0.614) 0.972 1.768 ( 0.116 0.521 0.999) 1.133 1.792 ( -1.642 2.920 -4.046) 5.253 1.842 ( 2.377 -0.669 4.321) 4.977 1.891 ( 1.384 0.559 1.392) 2.041 1.959 ( -0.158 -1.122 1.322) 1.741 2.001 ( -1.996 -2.068 -0.788) 2.980 2.014 ( 2.375 -3.706 1.278) 4.583 2.108 ( 2.809 1.777 0.847) 3.430 2.180 ( -0.400 -5.682 0.565) 5.724 2.255 ( 0.852 -2.003 1.311) 2.541 2.339 ( 1.087 0.491 0.923) 1.509 2.385 ( 3.082 0.726 -2.156) 3.831 2.437 ( -0.064 -2.886 -3.115) 4.247 2.546 ( -0.174 -2.222 -0.063) 2.230 2.623 ( 0.403 -1.410 0.517) 1.555 2.764 ( 1.638 -0.524 -1.218) 2.107 2.794 ( 0.196 -1.820 1.030) 2.100 2.910 ( 2.899 0.170 -0.334) 2.923 2.977 ( -4.937 2.658 1.568) 5.822 3.062 ( -0.065 -1.089 1.116) 1.561 3.143 ( 0.199 -1.486 -0.212) 1.514 3.351 ( -0.348 0.329 -1.291) 1.377 3.447 ( -3.881 2.630 0.451) 4.710 3.581 ( -0.813 -1.228 -0.287) 1.501 3.822 ( 0.048 -2.653 -0.239) 2.664 3.880 ( 0.716 -0.332 0.738) 1.081 4.193 ( -0.634 -1.546 -0.366) 1.711 4.252 ( -0.131 0.434 0.204) 0.497 4.379 ( -2.701 -0.086 0.299) 2.719 4.555 ( -1.915 2.927 1.533) 3.819 4.646 ( 0.243 0.148 -1.396) 1.425 4.703 ( -0.389 -0.694 -1.808) 1.975 4.936 ( -1.441 -1.920 2.151) 3.224 5.046 ( 0.980 -4.704 -0.674) 4.852 5.511 ( 0.210 0.713 0.061) 0.745 5.524 ( -0.081 1.001 0.189) 1.022 6.310 ( -3.476 2.739 1.276) 4.606 6.497 ( -0.858 2.231 -1.117) 2.638 6.720 ( 0.207 -0.691 1.612) 1.766 6.921 ( -2.115 -1.530 -1.146) 2.851 7.022 ( 2.328 -0.708 1.535) 2.877 7.209 ( 2.231 -2.614 -1.256) 3.659 ======================= Grid point 80 (38/75) ======================= q-point: ( 0.43 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.198 4.622 0.060) 4.626 0.875 ( -0.251 6.736 1.667) 6.944 0.886 ( 1.471 -1.630 -1.493) 2.655 0.972 ( 2.917 3.515 0.010) 4.567 1.032 ( 1.607 3.821 -3.558) 5.463 1.093 ( 2.343 5.894 1.285) 6.471 1.139 ( 0.443 1.724 -3.623) 4.037 1.232 ( -3.827 1.475 -1.067) 4.238 1.412 ( -0.403 0.954 2.808) 2.993 1.495 ( -0.660 -0.854 1.672) 1.990 1.566 ( 2.758 2.277 -2.256) 4.229 1.635 ( 0.573 1.366 1.101) 1.846 1.734 ( -1.039 3.599 -1.843) 4.175 1.778 ( 1.298 -0.326 -1.482) 1.997 1.867 ( -2.065 -0.531 3.629) 4.209 1.918 ( -0.255 -2.334 -1.121) 2.602 1.967 ( -0.404 -0.547 1.476) 1.625 1.982 ( 0.858 -3.210 -0.000) 3.323 2.057 ( 0.680 -1.537 1.473) 2.235 2.152 ( 0.448 -3.875 -0.787) 3.980 2.186 ( -0.902 -3.660 3.404) 5.079 2.270 ( 0.778 -1.261 0.466) 1.553 2.338 ( -1.087 -0.337 -0.595) 1.284 2.395 ( 2.039 -3.608 -5.184) 6.637 2.453 ( 1.179 -1.854 1.281) 2.543 2.564 ( -0.061 -3.396 0.510) 3.435 2.655 ( 3.413 0.703 1.822) 3.932 2.798 ( 0.824 0.132 1.165) 1.434 2.826 ( 1.826 5.576 1.508) 6.058 2.859 ( -4.554 2.735 0.662) 5.354 2.976 ( 1.627 -1.582 -0.866) 2.429 3.082 ( -0.655 2.565 2.687) 3.772 3.106 ( -1.450 -5.968 -1.487) 6.319 3.328 ( -0.133 1.090 -3.472) 3.642 3.403 ( -1.462 1.830 2.157) 3.185 3.562 ( -0.575 -1.445 -1.456) 2.130 3.821 ( 0.262 -2.396 -0.457) 2.453 3.877 ( -0.737 -1.237 -0.767) 1.632 4.184 ( 0.070 -2.318 1.080) 2.558 4.286 ( 1.787 2.649 2.336) 3.958 4.329 ( -2.129 0.835 -0.952) 2.478 4.520 ( -2.133 1.587 -0.616) 2.729 4.641 ( 0.446 0.942 -0.950) 1.410 4.679 ( 0.081 -0.634 -2.617) 2.694 4.937 ( -0.821 -2.631 2.906) 4.005 5.052 ( 0.430 -5.316 -1.085) 5.443 5.517 ( 0.139 0.879 0.231) 0.920 5.522 ( -0.121 1.123 0.118) 1.136 6.279 ( -1.214 2.681 2.200) 3.675 6.465 ( -0.796 1.782 -2.594) 3.246 6.740 ( 0.210 -0.647 2.097) 2.205 6.882 ( -0.608 -0.389 -1.395) 1.571 7.065 ( 0.503 -0.749 1.756) 1.974 7.225 ( 0.947 -2.824 -2.318) 3.774 ======================= Grid point 81 (39/75) ======================= q-point: (-0.43 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -2.396 4.949 0.447) 5.517 0.840 ( -3.882 0.777 -1.984) 4.428 0.868 ( -0.983 5.838 0.685) 5.959 1.018 ( 1.339 3.672 0.249) 3.917 1.045 ( 0.670 5.211 -0.473) 5.275 1.120 ( 1.171 -0.675 -5.714) 5.872 1.148 ( -0.917 4.467 1.026) 4.674 1.190 ( 3.815 1.874 -0.543) 4.285 1.434 ( -0.328 0.767 3.639) 3.733 1.469 ( -2.517 0.237 0.509) 2.579 1.592 ( 1.442 2.609 -2.545) 3.919 1.633 ( -0.244 -0.235 -1.093) 1.144 1.733 ( 0.039 1.100 1.770) 2.084 1.807 ( 2.166 0.985 -1.467) 2.796 1.837 ( -2.161 -0.538 0.410) 2.265 1.881 ( -2.382 -0.231 1.101) 2.634 1.966 ( -1.069 -0.584 0.814) 1.465 1.996 ( 0.123 -2.649 -0.426) 2.686 2.075 ( -0.421 -0.285 2.398) 2.452 2.137 ( -0.578 -4.945 -0.630) 5.018 2.161 ( -3.786 -3.695 2.994) 6.078 2.300 ( 0.903 -0.845 0.693) 1.418 2.308 ( -0.880 -1.226 -1.067) 1.848 2.401 ( 2.589 -4.001 -3.953) 6.192 2.479 ( 0.379 -3.759 1.802) 4.186 2.541 ( -0.633 -1.435 -1.679) 2.298 2.712 ( -4.681 1.450 2.791) 5.640 2.806 ( 0.240 0.876 1.302) 1.587 2.813 ( 2.998 4.116 1.485) 5.305 2.911 ( 3.483 1.722 0.578) 3.928 2.990 ( 0.076 -2.735 0.925) 2.888 3.018 ( -2.915 -1.352 -1.490) 3.542 3.133 ( 0.200 0.046 1.630) 1.643 3.293 ( 0.429 1.957 -4.225) 4.676 3.425 ( 1.151 -0.402 2.809) 3.062 3.542 ( 0.672 -0.319 -2.250) 2.370 3.822 ( -0.832 -2.601 -0.079) 2.732 3.849 ( -0.385 -1.651 -1.165) 2.058 4.214 ( 0.972 1.102 1.180) 1.885 4.300 ( 0.286 -0.507 1.028) 1.181 4.331 ( 0.469 0.335 1.371) 1.487 4.477 ( -0.615 1.606 -2.043) 2.671 4.646 ( 0.688 1.988 -0.584) 2.183 4.671 ( 1.461 -0.548 -2.563) 3.001 4.948 ( -0.755 -2.807 3.047) 4.211 5.046 ( 0.093 -5.428 -1.337) 5.591 5.519 ( -0.082 0.986 0.260) 1.023 5.522 ( -0.085 1.032 0.084) 1.039 6.300 ( 0.903 2.602 3.009) 4.079 6.437 ( 1.098 1.964 -3.301) 3.995 6.748 ( -1.734 0.072 2.253) 2.844 6.878 ( 1.590 -1.182 -1.894) 2.741 7.071 ( -1.591 -0.162 2.555) 3.014 7.207 ( -0.348 -2.904 -2.882) 4.106 ======================= Grid point 82 (40/75) ======================= q-point: (-0.29 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -4.713 8.183 1.309) 9.533 0.734 ( -4.807 5.870 -0.018) 7.587 0.878 ( 1.877 5.183 -0.950) 5.594 0.978 ( -3.635 -1.098 -2.596) 4.600 1.073 ( 1.606 7.467 0.963) 7.698 1.108 ( 1.674 1.541 -0.364) 2.304 1.138 ( 0.609 2.391 -4.803) 5.399 1.262 ( 1.889 5.433 0.832) 5.812 1.411 ( -3.295 -1.246 -0.615) 3.576 1.454 ( -1.397 1.833 3.243) 3.979 1.564 ( -1.078 0.721 -2.985) 3.254 1.631 ( 1.359 3.129 -0.959) 3.544 1.735 ( -3.007 -0.142 0.185) 3.016 1.769 ( -0.357 -1.508 3.391) 3.729 1.837 ( -3.589 0.037 3.341) 4.903 1.883 ( 2.801 0.461 -2.687) 3.908 1.956 ( -0.881 -0.200 1.852) 2.060 1.984 ( 0.176 -1.145 -0.435) 1.238 2.075 ( -1.831 -1.360 2.298) 3.238 2.123 ( -1.832 -2.569 1.671) 3.570 2.132 ( 0.098 -4.877 -0.303) 4.887 2.269 ( -2.339 -2.915 -1.898) 4.192 2.311 ( -0.325 0.902 1.389) 1.688 2.429 ( 3.141 -2.514 -2.181) 4.576 2.494 ( 0.328 -1.249 -0.325) 1.331 2.543 ( 1.636 -2.278 -1.264) 3.076 2.620 ( -4.234 1.393 0.171) 4.461 2.771 ( -3.038 -2.030 0.547) 3.695 2.880 ( -3.081 -5.351 -2.883) 6.815 2.936 ( 0.988 1.336 -0.006) 1.662 2.980 ( 0.797 -1.790 4.940) 5.314 3.048 ( 3.567 4.971 -0.291) 6.125 3.109 ( -2.450 0.603 0.795) 2.646 3.289 ( 1.672 1.122 -2.048) 2.872 3.481 ( 2.711 -2.038 1.719) 3.802 3.558 ( 2.127 1.086 -1.428) 2.782 3.777 ( -2.420 -0.549 -0.305) 2.500 3.856 ( 0.271 -2.052 0.770) 2.209 4.221 ( -0.017 2.196 -0.439) 2.240 4.321 ( -0.089 -4.128 -2.145) 4.653 4.364 ( 2.842 0.804 3.583) 4.644 4.479 ( 1.517 1.918 0.336) 2.468 4.654 ( 0.999 0.587 -1.531) 1.920 4.688 ( 1.761 1.608 -1.115) 2.633 4.957 ( -0.764 -2.527 2.325) 3.517 5.037 ( 0.073 -4.932 -0.998) 5.033 5.516 ( -0.339 0.961 0.003) 1.019 5.522 ( 0.013 0.863 0.258) 0.901 6.346 ( 1.493 2.277 1.876) 3.307 6.476 ( 5.341 2.840 -1.701) 6.284 6.715 ( -3.122 -0.231 2.300) 3.885 6.893 ( 1.282 -1.833 -2.035) 3.024 7.053 ( -2.591 -0.123 2.761) 3.788 7.171 ( -0.973 -2.375 -2.221) 3.394 ======================= Grid point 83 (41/75) ======================= q-point: (-0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -2.446 11.736 1.406) 12.071 0.656 ( -3.735 12.014 0.250) 12.583 0.867 ( -2.394 1.079 -3.866) 4.674 0.931 ( 1.334 2.942 1.001) 3.382 1.069 ( -0.179 1.405 -7.458) 7.591 1.119 ( 0.369 8.200 1.111) 8.283 1.158 ( 2.378 3.520 1.107) 4.390 1.262 ( -2.050 10.566 3.739) 11.394 1.353 ( -1.721 -4.451 -0.897) 4.856 1.438 ( -1.649 0.979 0.869) 2.106 1.554 ( 0.791 0.838 0.051) 1.153 1.662 ( 1.773 3.242 -0.730) 3.767 1.679 ( -2.822 0.370 2.137) 3.559 1.780 ( -2.512 -0.440 -1.236) 2.834 1.821 ( 0.685 -1.142 4.170) 4.377 1.885 ( 0.034 -1.922 -1.794) 2.629 1.953 ( -1.192 0.799 1.844) 2.337 2.007 ( 0.310 0.638 -0.279) 0.762 2.048 ( 0.311 -3.422 -1.000) 3.578 2.102 ( -1.855 -4.128 0.985) 4.632 2.144 ( 0.613 -3.916 2.070) 4.472 2.205 ( -2.738 -2.612 -0.480) 3.815 2.325 ( 0.302 1.883 1.288) 2.301 2.435 ( -2.253 1.731 -5.957) 6.600 2.476 ( 1.782 -1.421 -1.266) 2.607 2.560 ( 1.907 -2.409 -0.943) 3.214 2.621 ( 2.158 -1.423 1.688) 3.087 2.710 ( -3.358 -3.993 0.676) 5.261 2.778 ( -4.187 -2.099 -1.721) 4.989 2.888 ( -2.442 -1.255 -2.601) 3.782 3.002 ( -2.985 0.912 3.506) 4.694 3.096 ( -0.215 -1.072 -0.156) 1.104 3.158 ( 6.731 3.856 1.707) 7.943 3.302 ( -0.278 1.011 0.532) 1.176 3.539 ( 2.009 -1.434 -0.864) 2.615 3.581 ( 1.213 0.528 -0.117) 1.328 3.753 ( -0.993 -0.645 2.748) 2.992 3.862 ( -0.423 -1.320 0.745) 1.574 4.206 ( -0.798 1.799 -0.679) 2.082 4.311 ( 1.103 -5.850 -2.916) 6.628 4.445 ( 3.377 2.683 1.507) 4.569 4.528 ( 1.130 -0.527 3.063) 3.307 4.657 ( 0.678 -0.897 -1.492) 1.868 4.708 ( 0.876 3.160 -0.565) 3.328 4.960 ( -0.512 -1.423 1.460) 2.102 5.031 ( 0.028 -4.509 -0.699) 4.563 5.509 ( -0.234 0.807 -0.049) 0.842 5.524 ( -0.048 0.785 0.170) 0.805 6.393 ( 2.036 2.263 1.149) 3.254 6.559 ( 3.295 3.561 -4.058) 6.325 6.714 ( 1.408 -2.991 4.826) 5.850 6.888 ( -0.894 -2.772 -0.644) 2.983 7.025 ( -1.776 -0.642 1.652) 2.509 7.136 ( -1.272 -0.873 -1.034) 1.857 ======================= Grid point 84 (42/75) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -0.596 8.800 -1.824) 9.007 0.857 ( 1.389 8.462 0.115) 8.576 0.889 ( 1.199 3.757 1.394) 4.183 1.008 ( 0.584 1.454 -7.203) 7.372 1.040 ( 1.458 3.440 -1.743) 4.123 1.143 ( 0.817 -0.036 -4.609) 4.681 1.271 ( 1.231 -2.035 2.742) 3.630 1.337 ( 0.530 3.876 2.382) 4.580 1.403 ( -2.481 3.914 4.924) 6.762 1.562 ( 0.872 10.653 -0.458) 10.698 1.591 ( -1.355 2.275 0.093) 2.649 1.619 ( -3.516 -1.322 6.580) 7.576 1.702 ( -0.997 0.627 -0.359) 1.231 1.793 ( -0.248 -3.408 0.041) 3.417 1.826 ( 2.811 2.583 -0.428) 3.842 1.854 ( -0.482 -0.568 3.686) 3.761 1.948 ( -1.337 -3.063 -1.113) 3.523 1.972 ( 1.529 -3.096 1.760) 3.876 1.995 ( 0.512 -0.510 -2.441) 2.546 2.025 ( 0.937 -2.197 -1.072) 2.618 2.099 ( -0.217 -3.772 1.841) 4.203 2.122 ( -1.377 -1.675 -0.097) 2.170 2.370 ( -0.194 1.387 0.038) 1.401 2.411 ( -0.474 3.445 -3.034) 4.615 2.485 ( 1.347 -1.149 -2.015) 2.682 2.509 ( -0.321 0.954 -2.976) 3.141 2.604 ( 1.359 -3.865 1.675) 4.426 2.703 ( -2.717 0.231 2.134) 3.462 2.727 ( 2.369 -0.620 -0.661) 2.536 2.807 ( -0.240 -0.007 -0.193) 0.308 2.954 ( -2.268 -2.892 -0.209) 3.681 3.049 ( 2.395 -2.829 -4.208) 5.608 3.264 ( -3.062 1.240 3.270) 4.648 3.328 ( 1.304 1.489 0.688) 2.095 3.522 ( 0.083 -2.809 1.908) 3.397 3.597 ( 0.622 0.189 -1.492) 1.627 3.800 ( 1.143 1.887 1.897) 2.909 3.831 ( -0.702 -1.248 0.435) 1.496 4.217 ( 1.042 -1.858 -1.857) 2.826 4.235 ( -0.330 2.316 -2.410) 3.359 4.484 ( -2.612 -1.984 3.188) 4.574 4.568 ( 1.762 0.862 -0.583) 2.047 4.625 ( -0.296 -0.999 2.659) 2.856 4.766 ( 0.051 2.444 -2.500) 3.496 4.933 ( 0.577 -4.123 0.597) 4.206 4.950 ( -0.690 -1.539 0.025) 1.687 5.526 ( 0.225 0.634 0.176) 0.695 5.533 ( -0.347 0.662 -0.101) 0.754 6.477 ( -0.251 2.933 0.981) 3.103 6.576 ( -0.784 1.078 -3.003) 3.286 6.736 ( 0.217 -1.586 1.685) 2.324 6.789 ( 0.504 -2.761 -0.531) 2.857 7.017 ( -0.174 -0.418 2.195) 2.241 7.109 ( 0.085 -0.714 -1.261) 1.452 ======================= Grid point 85 (43/75) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.832 6.743 -0.069) 6.795 0.874 ( 1.291 7.350 -0.974) 7.526 0.956 ( 2.713 3.920 -3.208) 5.747 1.002 ( 4.430 2.295 -2.342) 5.512 1.049 ( 0.172 2.840 0.781) 2.950 1.120 ( 1.650 2.051 -5.956) 6.512 1.283 ( -2.861 1.201 2.615) 4.058 1.358 ( 0.140 -1.360 0.116) 1.372 1.410 ( -0.731 5.528 4.107) 6.926 1.539 ( -3.020 3.793 3.366) 5.902 1.562 ( 0.633 3.956 -2.797) 4.886 1.649 ( -1.208 0.808 1.796) 2.311 1.715 ( 2.355 0.299 4.011) 4.661 1.774 ( -0.253 -0.285 -0.747) 0.839 1.853 ( -1.412 -1.465 3.133) 3.736 1.894 ( 3.183 -0.831 0.172) 3.294 1.911 ( -1.520 -0.590 -1.317) 2.096 1.975 ( -0.532 0.307 -2.190) 2.274 2.014 ( -1.284 -1.201 -0.655) 1.876 2.051 ( 3.879 -2.137 1.953) 4.840 2.097 ( -0.980 -4.738 1.068) 4.955 2.121 ( 1.655 -3.849 -0.854) 4.276 2.364 ( -0.617 2.013 1.205) 2.426 2.391 ( -0.244 2.434 -1.095) 2.680 2.438 ( -0.940 -1.115 -4.219) 4.464 2.528 ( 1.243 -0.059 -1.797) 2.186 2.629 ( -0.815 0.435 1.515) 1.775 2.676 ( 0.217 -3.571 0.534) 3.617 2.715 ( -0.342 -3.714 -2.067) 4.264 2.875 ( 4.426 0.520 1.855) 4.827 2.936 ( 1.033 -1.986 -0.372) 2.269 3.088 ( 4.130 -0.764 -2.132) 4.710 3.200 ( -4.933 3.902 1.718) 6.520 3.348 ( -0.596 -0.675 1.089) 1.413 3.519 ( -1.779 -1.886 1.344) 2.921 3.592 ( -0.155 -0.101 -1.288) 1.301 3.805 ( -1.220 -0.167 0.183) 1.245 3.846 ( 1.125 -0.001 1.203) 1.647 4.200 ( -0.831 0.302 -2.886) 3.019 4.235 ( 1.654 -0.524 -0.736) 1.885 4.437 ( -3.833 0.528 2.943) 4.861 4.596 ( 1.174 -1.791 -0.628) 2.232 4.638 ( -0.955 0.888 2.791) 3.080 4.737 ( -0.697 1.876 -2.388) 3.115 4.923 ( -1.580 -2.545 0.042) 2.996 4.948 ( 0.076 -3.500 0.486) 3.534 5.525 ( -0.186 0.639 -0.140) 0.680 5.535 ( 0.304 0.688 0.286) 0.804 6.434 ( -3.972 2.967 0.425) 4.975 6.555 ( -0.430 0.850 -1.183) 1.519 6.710 ( -1.072 0.077 0.748) 1.309 6.848 ( 3.302 -3.427 -0.145) 4.761 7.019 ( -0.913 1.075 0.933) 1.691 7.121 ( 1.933 -2.353 -0.409) 3.072 ======================= Grid point 86 (44/75) ======================= q-point: ( 0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 1.789 3.020 0.264) 3.520 0.897 ( 1.295 5.415 -0.753) 5.618 0.968 ( 2.631 3.985 -3.437) 5.884 1.018 ( -0.389 4.943 -0.265) 4.965 1.086 ( 2.239 1.359 -4.492) 5.200 1.126 ( 3.143 1.671 -1.567) 3.889 1.245 ( -2.629 3.895 2.851) 5.497 1.341 ( -2.230 1.196 0.703) 2.626 1.426 ( -0.269 1.978 1.089) 2.274 1.502 ( -3.409 2.858 2.857) 5.287 1.580 ( 2.528 2.895 -0.940) 3.957 1.628 ( -0.685 -1.948 -0.487) 2.122 1.754 ( 1.237 1.189 -1.965) 2.609 1.811 ( 0.358 -2.163 4.854) 5.326 1.855 ( -1.799 -0.309 2.617) 3.191 1.877 ( -0.065 0.623 -1.686) 1.799 1.936 ( 0.535 -1.032 -1.970) 2.288 1.963 ( 1.680 -0.822 1.060) 2.150 1.982 ( -0.833 -0.228 -0.667) 1.092 2.076 ( -1.076 -4.723 0.625) 4.884 2.124 ( 2.080 -0.759 -0.314) 2.237 2.166 ( 2.475 -6.603 0.901) 7.109 2.359 ( -1.587 0.553 1.874) 2.517 2.369 ( -0.791 -1.296 -3.275) 3.609 2.407 ( -0.236 -0.446 -0.293) 0.584 2.505 ( -1.223 -1.579 0.319) 2.023 2.623 ( 0.718 0.540 -0.575) 1.067 2.712 ( 2.283 -3.938 0.702) 4.605 2.741 ( 3.752 -1.329 -0.393) 4.000 2.949 ( 1.646 -4.964 2.668) 5.871 2.985 ( 3.804 3.462 -1.753) 5.434 3.109 ( -5.078 8.097 2.318) 9.834 3.141 ( 1.088 -0.115 -2.478) 2.709 3.331 ( -0.713 -1.780 -0.035) 1.918 3.489 ( -2.579 0.107 1.368) 2.921 3.568 ( -0.738 0.295 -1.489) 1.688 3.789 ( -0.451 -0.565 -0.018) 0.723 3.862 ( -0.023 -1.349 -0.055) 1.350 4.149 ( -1.902 -1.933 -1.596) 3.146 4.274 ( 2.528 1.323 -0.072) 2.854 4.407 ( -2.168 2.448 2.726) 4.257 4.591 ( -0.749 -1.082 -1.868) 2.285 4.636 ( -0.848 0.730 1.530) 1.895 4.707 ( -0.881 1.080 -1.077) 1.761 4.894 ( -1.323 -2.500 0.146) 2.832 4.948 ( -0.439 -5.046 0.303) 5.074 5.526 ( 0.265 0.758 0.122) 0.812 5.541 ( 0.060 0.693 0.222) 0.730 6.365 ( -3.265 2.781 0.667) 4.341 6.530 ( -1.433 1.128 -0.370) 1.861 6.713 ( 0.501 -0.021 0.199) 0.540 6.880 ( 0.368 -2.326 -0.613) 2.434 7.025 ( 1.087 0.711 0.656) 1.455 7.156 ( 1.698 -2.733 -0.368) 3.238 ======================= Grid point 87 (45/75) ======================= q-point: ( 0.43 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.792 0.608 -0.571) 1.977 0.880 ( -1.230 4.043 -2.379) 4.849 0.989 ( -0.257 4.100 1.026) 4.234 1.048 ( 4.649 3.290 -1.703) 5.944 1.076 ( 1.488 1.055 -5.172) 5.485 1.153 ( 0.617 1.913 -2.072) 2.886 1.235 ( -1.313 6.026 2.748) 6.752 1.289 ( -2.919 3.742 0.153) 4.749 1.428 ( 0.212 0.652 0.486) 0.841 1.471 ( -2.837 -0.483 4.018) 4.943 1.613 ( 1.293 -0.726 -1.987) 2.480 1.629 ( 1.356 -0.250 -0.464) 1.455 1.774 ( 2.140 0.835 -1.112) 2.552 1.814 ( -2.487 1.978 0.590) 3.232 1.835 ( -0.947 -0.083 2.928) 3.078 1.878 ( 0.029 -0.643 -0.455) 0.788 1.929 ( 0.469 -2.333 -0.583) 2.450 1.976 ( 0.078 0.245 0.436) 0.506 2.005 ( 1.189 -3.217 0.031) 3.430 2.067 ( -1.013 -4.334 2.969) 5.351 2.136 ( -0.356 -2.054 -1.066) 2.341 2.220 ( 3.282 -4.486 -0.423) 5.575 2.305 ( -3.348 -2.770 -0.537) 4.379 2.346 ( 0.135 -0.181 -2.642) 2.652 2.397 ( -1.194 -3.671 1.920) 4.311 2.514 ( 0.558 -1.458 0.774) 1.742 2.671 ( 2.820 0.582 3.100) 4.231 2.755 ( 1.341 -3.931 1.426) 4.392 2.826 ( 4.190 -0.347 0.248) 4.212 2.974 ( -3.287 -1.999 -0.943) 3.961 3.001 ( 1.153 1.697 -0.568) 2.129 3.039 ( -1.535 6.007 -1.168) 6.309 3.132 ( -0.573 3.024 1.737) 3.534 3.329 ( 0.949 -0.915 -2.450) 2.782 3.450 ( -2.506 1.512 1.872) 3.474 3.552 ( 0.431 1.102 -1.552) 1.951 3.782 ( -0.314 -1.280 -0.336) 1.360 3.846 ( -0.778 -1.801 -1.364) 2.389 4.133 ( 0.797 -2.081 1.644) 2.769 4.311 ( 1.086 0.139 -1.227) 1.645 4.389 ( -1.975 4.180 2.324) 5.175 4.550 ( -0.745 1.247 -2.816) 3.169 4.640 ( -0.117 -1.061 0.977) 1.447 4.685 ( -0.339 1.622 -0.772) 1.828 4.883 ( -0.242 -2.955 0.771) 3.063 4.937 ( -0.622 -6.322 -0.307) 6.360 5.533 ( 0.179 0.779 0.320) 0.861 5.542 ( -0.087 0.789 0.143) 0.806 6.333 ( -0.970 2.808 1.729) 3.438 6.493 ( -1.212 1.006 -2.046) 2.582 6.733 ( 0.866 -0.073 1.524) 1.754 6.868 ( -0.433 -0.943 -1.328) 1.685 7.056 ( 0.862 -0.151 1.244) 1.521 7.170 ( 0.411 -2.698 -1.343) 3.042 ======================= Grid point 88 (46/75) ======================= q-point: (-0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.513 2.836 -2.073) 3.550 0.866 ( -0.109 2.436 -0.608) 2.513 0.982 ( -0.596 5.163 -0.295) 5.205 1.049 ( -1.209 0.274 -2.625) 2.902 1.117 ( 0.384 0.540 -4.098) 4.152 1.125 ( 2.716 1.966 -0.472) 3.386 1.246 ( 0.627 3.619 -0.030) 3.673 1.262 ( -0.109 6.393 1.784) 6.638 1.436 ( -1.264 0.444 3.238) 3.505 1.469 ( 0.165 -0.433 1.412) 1.486 1.613 ( -0.083 -1.540 -0.943) 1.808 1.641 ( 1.540 2.313 -2.054) 3.455 1.777 ( -1.778 2.242 1.689) 3.323 1.799 ( -1.242 -2.855 0.600) 3.171 1.829 ( -0.876 0.135 -0.382) 0.965 1.883 ( 0.489 2.259 2.134) 3.146 1.938 ( -0.327 -3.867 0.287) 3.892 1.966 ( -0.058 0.741 -1.651) 1.811 2.017 ( 0.589 -4.898 -0.655) 4.976 2.083 ( -0.304 -2.472 2.141) 3.284 2.111 ( -1.559 -0.483 0.659) 1.760 2.230 ( -3.134 -6.466 -0.716) 7.221 2.279 ( 2.652 -1.378 -0.875) 3.114 2.350 ( 2.910 -0.963 -1.865) 3.588 2.406 ( 0.169 -3.086 2.693) 4.099 2.521 ( 0.334 -0.385 -0.953) 1.081 2.722 ( -2.167 -0.761 4.027) 4.636 2.781 ( -0.826 -2.973 1.319) 3.355 2.859 ( -2.311 -3.364 0.715) 4.143 2.894 ( -1.428 1.598 0.803) 2.289 2.994 ( -0.265 3.252 -3.256) 4.610 3.044 ( 3.188 3.131 -1.487) 4.710 3.161 ( 1.121 2.173 2.992) 3.864 3.305 ( -0.968 -0.794 -3.286) 3.516 3.438 ( -0.398 0.829 1.770) 1.994 3.558 ( 1.633 1.994 -1.420) 2.943 3.778 ( 0.168 -1.813 0.345) 1.853 3.820 ( -0.305 -0.860 -1.918) 2.123 4.204 ( 3.670 -1.283 3.245) 5.064 4.280 ( -1.450 -1.635 -3.138) 3.824 4.372 ( -2.283 3.709 2.618) 5.082 4.533 ( 1.297 3.649 -2.720) 4.732 4.634 ( -0.953 -2.591 0.529) 2.811 4.697 ( 2.044 2.666 -0.490) 3.394 4.891 ( -0.003 -3.172 0.995) 3.325 4.928 ( 0.285 -6.539 -0.538) 6.567 5.536 ( -0.101 0.764 0.387) 0.862 5.540 ( -0.210 0.804 0.071) 0.834 6.355 ( 1.110 2.999 2.486) 4.051 6.466 ( 1.051 0.842 -2.715) 3.031 6.755 ( -0.889 0.655 1.966) 2.255 6.851 ( 0.436 -1.580 -1.895) 2.505 7.070 ( -0.847 0.073 1.849) 2.035 7.152 ( -0.621 -2.715 -1.911) 3.378 ======================= Grid point 89 (47/75) ======================= q-point: (-0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.906 4.039 -0.781) 4.212 0.852 ( -0.959 6.431 0.283) 6.508 0.956 ( -1.279 2.329 -3.355) 4.280 1.004 ( -0.782 4.159 -0.170) 4.235 1.096 ( 1.402 -1.069 -3.336) 3.773 1.158 ( 1.007 2.227 -1.970) 3.140 1.255 ( 0.773 3.386 -0.786) 3.561 1.292 ( 0.073 2.846 2.949) 4.099 1.440 ( -1.578 0.149 3.202) 3.573 1.485 ( 0.853 3.462 0.480) 3.598 1.588 ( -0.993 2.706 -1.491) 3.245 1.672 ( 2.012 0.182 1.020) 2.263 1.747 ( -2.723 1.192 0.412) 3.001 1.764 ( -0.722 1.174 -0.755) 1.571 1.815 ( -1.990 -2.742 3.336) 4.755 1.877 ( -3.165 -1.840 0.311) 3.674 1.941 ( 1.991 -0.508 0.218) 2.066 1.967 ( 0.516 -0.081 -0.678) 0.856 2.018 ( 0.454 -4.045 -2.049) 4.557 2.065 ( -2.354 -1.523 -0.696) 2.889 2.092 ( -2.310 -1.970 3.617) 4.722 2.184 ( -0.984 -5.566 -0.828) 5.713 2.316 ( 2.331 -0.245 -1.165) 2.617 2.414 ( 3.857 0.544 0.004) 3.895 2.452 ( 2.411 -2.530 1.603) 3.846 2.514 ( 0.498 -0.128 -1.727) 1.802 2.654 ( -5.631 -0.023 -0.053) 5.631 2.742 ( -3.662 -0.308 0.813) 3.764 2.789 ( -2.406 -3.246 -1.981) 4.500 2.903 ( -2.816 -1.892 3.206) 4.668 2.984 ( 1.614 0.995 -0.264) 1.914 3.083 ( 0.910 0.034 -1.134) 1.454 3.203 ( 1.352 5.827 0.510) 6.004 3.271 ( 0.373 -2.255 -0.370) 2.315 3.461 ( 1.376 -0.566 1.146) 1.878 3.583 ( 1.739 1.111 -1.295) 2.436 3.784 ( -0.245 1.284 -0.395) 1.365 3.813 ( 0.584 -2.092 0.304) 2.193 4.224 ( -0.251 -2.346 -2.805) 3.665 4.291 ( 1.275 0.997 -1.157) 1.990 4.372 ( 0.544 1.175 5.827) 5.969 4.540 ( 1.419 3.955 -2.015) 4.660 4.622 ( -0.742 -3.259 0.385) 3.364 4.739 ( 2.451 2.924 -0.543) 3.854 4.897 ( 0.415 -4.157 0.083) 4.179 4.940 ( 0.799 -4.367 0.371) 4.455 5.534 ( -0.431 0.759 -0.041) 0.874 5.537 ( -0.114 0.715 0.390) 0.822 6.397 ( 1.639 2.908 0.958) 3.473 6.510 ( 5.109 0.704 -0.637) 5.196 6.721 ( -3.154 0.859 0.408) 3.295 6.852 ( 0.240 -2.386 -0.835) 2.539 7.050 ( -2.387 -0.114 0.971) 2.579 7.129 ( -0.321 -1.862 -0.682) 2.008 ======================= Grid point 90 (48/75) ======================= q-point: (-0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.037 7.150 -1.305) 7.268 0.845 ( 0.544 7.119 0.018) 7.140 0.905 ( -1.644 4.395 -0.649) 4.737 1.012 ( 1.413 4.880 -0.635) 5.121 1.081 ( 0.647 -0.675 -7.969) 8.024 1.151 ( 0.701 -0.136 -1.025) 1.250 1.249 ( -0.340 -0.447 -0.511) 0.759 1.311 ( -0.430 4.792 3.196) 5.776 1.418 ( -3.140 1.618 3.975) 5.317 1.523 ( 2.128 8.419 0.944) 8.735 1.579 ( 0.097 2.651 1.551) 3.072 1.688 ( -4.472 0.912 2.186) 5.060 1.722 ( 0.213 1.402 0.438) 1.484 1.754 ( 1.486 -1.790 -0.808) 2.463 1.819 ( -0.158 -1.622 3.360) 3.735 1.830 ( -1.538 -0.949 0.526) 1.882 1.963 ( -0.568 -0.647 0.703) 1.112 1.978 ( -0.075 -3.109 -1.317) 3.377 1.994 ( 0.705 -2.171 -1.264) 2.609 2.023 ( -0.052 -2.412 -2.656) 3.588 2.086 ( -1.231 -2.689 3.588) 4.650 2.158 ( -1.706 -2.525 -0.283) 3.060 2.351 ( 2.063 0.328 -0.639) 2.185 2.463 ( 1.634 1.208 -1.273) 2.398 2.473 ( -1.793 0.756 -2.117) 2.875 2.529 ( 1.780 0.069 -1.584) 2.384 2.576 ( -0.299 -2.901 0.315) 2.934 2.684 ( -2.263 1.796 2.062) 3.549 2.748 ( -0.443 -2.380 -2.384) 3.397 2.851 ( -3.922 -0.660 1.359) 4.203 2.996 ( -1.678 -2.624 1.109) 3.306 3.062 ( 0.239 -2.457 -3.914) 4.628 3.242 ( 1.614 4.104 2.217) 4.936 3.301 ( 1.243 -0.223 1.291) 1.806 3.498 ( 0.967 -2.284 1.506) 2.902 3.595 ( 1.011 0.533 -1.716) 2.062 3.776 ( 0.021 2.680 0.497) 2.726 3.830 ( 0.184 -2.121 1.045) 2.372 4.213 ( 1.146 -3.514 -2.319) 4.363 4.267 ( -0.992 3.888 -2.016) 4.490 4.455 ( 1.747 -1.397 4.629) 5.141 4.552 ( 1.067 2.736 -0.990) 3.099 4.615 ( -0.574 -2.869 1.309) 3.205 4.769 ( 1.456 2.764 -1.499) 3.465 4.912 ( 1.048 -3.921 0.159) 4.061 4.954 ( 0.124 -2.759 0.410) 2.792 5.526 ( -0.272 0.786 -0.073) 0.835 5.538 ( -0.166 0.587 0.214) 0.646 6.442 ( 2.381 2.683 0.406) 3.610 6.607 ( 3.608 1.330 -2.735) 4.719 6.674 ( -0.736 -1.076 2.441) 2.768 6.831 ( -1.998 -2.829 -0.241) 3.472 7.015 ( -1.520 -0.432 0.907) 1.822 7.121 ( -0.354 -0.713 -0.383) 0.883 ======================= Grid point 91 (49/75) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 1.672 2.311 -1.470) 3.209 0.947 ( -0.213 1.357 0.006) 1.374 0.983 ( 0.663 3.467 -1.804) 3.964 1.015 ( 1.463 -0.165 -5.192) 5.397 1.112 ( 1.412 2.367 -0.416) 2.788 1.138 ( 1.254 -0.208 -2.105) 2.459 1.253 ( -0.033 0.300 2.301) 2.321 1.382 ( -2.134 1.427 0.684) 2.657 1.496 ( -0.137 3.145 4.933) 5.851 1.609 ( -3.531 0.844 6.659) 7.584 1.614 ( -3.122 0.033 2.685) 4.118 1.685 ( 1.479 -0.036 0.220) 1.495 1.716 ( -0.845 2.618 0.572) 2.810 1.751 ( 1.838 -1.096 0.289) 2.160 1.816 ( -1.911 0.204 1.485) 2.429 1.869 ( 1.426 -3.233 0.495) 3.568 1.917 ( -0.367 0.984 1.132) 1.545 1.923 ( 0.753 1.517 -1.592) 2.325 1.969 ( 1.672 -2.686 -1.299) 3.420 2.014 ( 0.431 -0.156 -1.204) 1.288 2.037 ( -0.132 -1.566 -0.242) 1.590 2.092 ( -0.146 -1.660 -2.114) 2.692 2.364 ( 0.201 -0.544 -0.003) 0.580 2.466 ( -0.797 -0.502 -1.482) 1.756 2.474 ( -0.571 1.874 0.782) 2.110 2.539 ( 2.061 -0.928 0.412) 2.298 2.588 ( 0.067 3.783 -3.239) 4.981 2.662 ( 0.112 -3.665 -3.940) 5.382 2.756 ( -2.812 3.889 3.622) 6.013 2.822 ( -2.560 -0.618 2.044) 3.334 2.887 ( 2.126 -2.624 -2.372) 4.127 2.991 ( 3.350 -2.337 -3.945) 5.679 3.294 ( -1.181 1.468 2.943) 3.495 3.348 ( -0.267 0.442 1.497) 1.584 3.473 ( -1.052 -1.878 2.421) 3.239 3.592 ( 0.996 -0.581 -1.860) 2.189 3.808 ( -0.155 -0.096 0.227) 0.291 3.826 ( 0.600 0.173 -0.055) 0.627 4.204 ( 2.044 0.248 -0.579) 2.139 4.288 ( -1.405 1.946 -3.892) 4.573 4.458 ( -1.308 -0.376 3.491) 3.747 4.531 ( -0.614 -2.498 1.306) 2.885 4.653 ( 0.902 2.067 1.396) 2.653 4.779 ( 0.605 -1.130 -2.855) 3.129 4.889 ( -0.421 0.318 1.254) 1.360 4.919 ( -0.093 -1.759 -0.206) 1.774 5.533 ( -0.166 0.166 0.282) 0.367 5.544 ( -0.003 0.348 -0.161) 0.383 6.527 ( 1.301 1.952 -0.147) 2.350 6.584 ( -2.531 -0.158 -2.801) 3.778 6.715 ( 2.666 -0.491 2.132) 3.449 6.747 ( -1.434 -1.382 0.300) 2.014 7.012 ( 0.679 -0.083 1.652) 1.788 7.097 ( -0.697 -0.366 -1.342) 1.555 ======================= Grid point 92 (50/75) ======================= q-point: ( 0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.132 3.067 -0.817) 3.370 0.972 ( 0.688 2.676 -3.616) 4.551 0.995 ( 2.855 0.898 -0.695) 3.073 1.024 ( 3.870 0.521 -2.931) 4.882 1.114 ( -0.577 1.965 -1.458) 2.514 1.149 ( 1.534 0.681 -2.072) 2.667 1.281 ( -0.801 0.000 5.157) 5.218 1.349 ( -0.957 0.185 -0.955) 1.365 1.521 ( -1.604 3.383 4.755) 6.052 1.562 ( -3.778 1.141 3.726) 5.427 1.598 ( -1.596 -1.554 0.431) 2.269 1.680 ( -2.836 3.442 -0.371) 4.475 1.738 ( 1.531 1.467 4.101) 4.617 1.775 ( -0.829 -2.630 0.356) 2.781 1.815 ( 2.266 0.679 0.793) 2.495 1.889 ( 0.226 -0.259 -1.164) 1.213 1.910 ( 0.615 -0.027 1.657) 1.768 1.966 ( 2.546 -0.245 -0.716) 2.656 1.984 ( -1.547 -2.734 0.064) 3.142 1.997 ( 1.590 -2.697 -0.606) 3.189 2.036 ( -0.069 0.907 -1.012) 1.360 2.076 ( 0.910 -2.186 -2.390) 3.364 2.358 ( -1.291 -0.656 1.170) 1.861 2.428 ( -1.358 0.043 -3.843) 4.076 2.461 ( -1.537 2.645 0.870) 3.181 2.540 ( -2.324 0.056 -0.408) 2.360 2.592 ( 1.833 -0.722 -1.144) 2.278 2.646 ( 1.912 -3.050 -2.545) 4.409 2.705 ( -2.635 3.488 1.508) 4.624 2.805 ( -0.056 -4.527 2.068) 4.978 2.972 ( 6.394 2.332 -1.628) 6.998 3.058 ( 5.895 -1.763 -3.076) 6.879 3.281 ( -2.555 3.735 3.046) 5.456 3.337 ( -2.110 -0.383 1.202) 2.458 3.466 ( -1.626 -2.888 2.202) 3.979 3.593 ( 0.683 0.193 -1.785) 1.921 3.799 ( -0.885 -0.167 0.370) 0.974 3.839 ( 0.622 -0.644 -0.481) 1.016 4.214 ( -2.685 0.891 -3.944) 4.854 4.245 ( 2.198 0.719 0.703) 2.417 4.456 ( -1.702 1.243 3.269) 3.890 4.533 ( -0.156 -3.037 0.752) 3.132 4.677 ( 0.162 1.928 1.392) 2.383 4.755 ( -0.322 -0.375 -3.300) 3.337 4.877 ( -1.810 -0.831 1.181) 2.315 4.905 ( -1.277 -1.617 0.035) 2.061 5.533 ( 0.008 0.242 0.183) 0.303 5.545 ( 0.149 0.285 0.027) 0.322 6.482 ( -3.862 1.749 -1.278) 4.428 6.558 ( -0.602 -0.312 0.573) 0.888 6.716 ( -0.056 0.404 -0.696) 0.806 6.797 ( 2.867 -1.654 1.098) 3.487 7.044 ( 0.359 1.477 0.635) 1.647 7.078 ( 0.726 -2.004 -0.461) 2.180 ======================= Grid point 93 (51/75) ======================= q-point: ( 0.29 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.059 2.996 -0.726) 3.084 0.969 ( 1.726 1.805 -2.403) 3.466 1.017 ( 0.954 1.705 -3.266) 3.806 1.076 ( 0.335 0.661 -2.300) 2.416 1.089 ( 1.988 -0.804 -0.434) 2.188 1.156 ( 1.786 1.308 -2.567) 3.390 1.303 ( -1.199 2.551 4.822) 5.586 1.343 ( 0.509 -0.272 1.143) 1.281 1.499 ( -4.174 2.190 0.503) 4.740 1.515 ( -4.247 -0.857 4.233) 6.057 1.589 ( -0.490 0.823 0.610) 1.136 1.627 ( -1.274 0.433 0.523) 1.443 1.768 ( 0.325 -0.443 -0.349) 0.651 1.782 ( 0.347 -0.891 1.202) 1.536 1.861 ( 1.466 2.623 -0.248) 3.014 1.877 ( -1.120 -2.204 1.557) 2.921 1.926 ( -0.227 1.338 1.075) 1.731 1.975 ( 0.751 0.419 0.134) 0.870 1.993 ( 1.380 -0.727 -1.866) 2.432 2.012 ( -1.120 0.746 -0.724) 1.528 2.046 ( 3.222 -4.301 0.343) 5.385 2.080 ( 1.216 -3.621 -2.753) 4.709 2.344 ( -1.463 -0.721 2.109) 2.666 2.353 ( -2.175 -0.690 -4.496) 5.042 2.433 ( -3.689 2.272 1.062) 4.461 2.477 ( -2.088 -1.700 1.389) 3.030 2.619 ( 2.679 -0.676 -1.487) 3.137 2.677 ( 0.537 -0.229 1.683) 1.782 2.728 ( 4.423 0.049 -0.051) 4.424 2.857 ( 2.592 -3.210 2.666) 4.912 3.053 ( 3.591 3.047 -2.751) 5.454 3.121 ( 2.780 -1.791 -4.370) 5.480 3.257 ( -2.755 5.534 3.009) 6.875 3.301 ( -1.740 -0.992 1.209) 2.339 3.453 ( -1.780 -2.592 2.489) 4.010 3.590 ( 0.847 1.341 -2.141) 2.664 3.788 ( -0.750 0.070 0.787) 1.089 3.834 ( -0.266 -1.281 -1.328) 1.864 4.134 ( -2.436 0.060 -2.191) 3.277 4.293 ( 1.890 0.566 0.576) 2.055 4.456 ( -1.117 2.247 3.114) 3.999 4.537 ( 0.180 -2.768 0.129) 2.777 4.677 ( -0.881 2.557 0.143) 2.709 4.721 ( -0.067 -0.433 -3.085) 3.115 4.846 ( -2.133 -1.695 0.896) 2.868 4.875 ( -2.013 -2.228 0.549) 3.052 5.538 ( 0.253 0.419 0.248) 0.549 5.549 ( 0.114 0.143 0.176) 0.254 6.407 ( -2.894 1.334 -0.416) 3.214 6.541 ( -1.813 0.132 0.801) 1.987 6.716 ( 0.756 0.218 -1.079) 1.336 6.845 ( 1.336 -1.090 0.416) 1.774 7.041 ( 0.478 0.788 -0.492) 1.045 7.112 ( 1.539 -1.545 0.595) 2.261 ======================= Grid point 94 (52/75) ======================= q-point: ( 0.43 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.192 1.938 -1.351) 2.646 0.940 ( -2.144 1.617 -3.488) 4.402 1.019 ( 1.708 0.137 0.016) 1.713 1.073 ( 0.971 -0.153 -5.172) 5.264 1.103 ( 1.400 0.932 -0.526) 1.762 1.180 ( 1.223 0.861 -1.817) 2.353 1.323 ( -0.409 3.631 3.153) 4.826 1.364 ( -2.750 2.468 2.673) 4.560 1.417 ( -0.831 -2.319 -0.801) 2.590 1.481 ( -1.211 0.957 1.037) 1.860 1.566 ( -1.675 0.537 2.571) 3.115 1.654 ( 0.748 -0.914 2.842) 3.078 1.753 ( -0.773 -0.227 -2.484) 2.611 1.787 ( -0.920 -1.893 2.337) 3.145 1.860 ( 0.022 -1.083 -0.532) 1.207 1.895 ( -0.123 -1.297 1.313) 1.850 1.934 ( 0.936 2.827 0.517) 3.023 1.955 ( -1.325 2.826 -2.201) 3.819 2.003 ( -0.680 -2.505 2.041) 3.302 2.015 ( 1.649 2.634 -0.499) 3.148 2.077 ( 1.308 -3.494 -2.779) 4.652 2.113 ( 3.406 -5.731 -0.944) 6.733 2.282 ( -0.965 -0.075 -3.153) 3.298 2.337 ( -3.112 -1.785 0.160) 3.591 2.359 ( -1.543 0.684 2.558) 3.065 2.498 ( 0.937 -0.440 2.398) 2.612 2.671 ( 2.625 -0.380 0.862) 2.789 2.699 ( -0.112 -1.439 2.648) 3.016 2.817 ( 3.465 -0.415 -0.150) 3.493 2.912 ( 0.041 -1.792 2.452) 3.037 3.067 ( 1.569 2.893 -3.626) 4.897 3.096 ( -0.083 0.085 -3.727) 3.729 3.221 ( -2.795 4.721 1.705) 5.746 3.299 ( 0.061 -2.113 -0.738) 2.239 3.443 ( -1.773 -1.101 3.191) 3.813 3.592 ( 1.418 1.729 -2.446) 3.314 3.777 ( -1.189 0.365 0.268) 1.272 3.816 ( 0.119 -1.070 -1.645) 1.966 4.111 ( 0.965 -0.364 1.297) 1.656 4.307 ( -0.463 -0.317 -1.606) 1.702 4.460 ( -1.309 2.893 2.826) 4.251 4.543 ( 0.406 -1.806 -0.035) 1.852 4.656 ( -0.733 3.153 -0.717) 3.316 4.709 ( 1.420 -0.426 -2.680) 3.063 4.822 ( -1.036 -2.880 0.905) 3.192 4.842 ( -1.786 -2.627 0.591) 3.231 5.545 ( 0.132 0.398 0.335) 0.537 5.551 ( -0.043 0.180 0.204) 0.275 6.376 ( -0.451 1.362 0.951) 1.721 6.503 ( -1.736 0.135 -1.232) 2.133 6.734 ( 1.361 0.128 0.863) 1.617 6.852 ( -0.362 -0.544 -0.821) 1.049 7.057 ( 0.912 0.190 0.522) 1.068 7.130 ( 0.102 -1.266 -0.525) 1.374 ======================= Grid point 95 (53/75) ======================= q-point: (-0.43 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.017 1.530 -2.802) 3.192 0.911 ( 2.032 1.533 -1.419) 2.914 1.025 ( -0.733 -0.189 -3.044) 3.137 1.060 ( 1.489 0.816 -0.164) 1.706 1.127 ( 1.285 0.316 -3.199) 3.461 1.152 ( -1.035 1.265 -1.322) 2.102 1.298 ( -3.541 1.385 1.938) 4.268 1.338 ( -0.780 1.091 2.549) 2.881 1.458 ( 2.995 -0.132 1.103) 3.194 1.482 ( 1.003 3.167 -1.594) 3.685 1.594 ( 0.743 0.542 4.863) 4.949 1.677 ( -1.205 -2.047 3.340) 4.098 1.718 ( -0.327 0.108 -2.062) 2.090 1.784 ( -1.432 -2.643 2.065) 3.647 1.853 ( -0.217 1.368 -2.371) 2.746 1.886 ( -1.926 -1.326 1.637) 2.854 1.916 ( -1.192 -0.586 0.479) 1.412 1.967 ( 1.726 1.621 -0.630) 2.451 1.996 ( -0.574 0.758 0.119) 0.958 2.038 ( 0.411 0.177 -0.022) 0.448 2.079 ( 1.183 -2.724 -2.667) 3.991 2.116 ( -2.184 -4.930 -1.614) 5.628 2.275 ( 1.736 0.863 -1.458) 2.426 2.325 ( 4.066 -1.562 -1.016) 4.473 2.379 ( -0.262 -0.041 4.516) 4.524 2.526 ( 0.835 0.522 -0.015) 0.985 2.690 ( -2.377 -1.508 1.053) 3.005 2.719 ( -0.232 -2.475 1.289) 2.800 2.830 ( -2.080 -0.263 3.183) 3.812 2.898 ( -2.776 -0.237 2.362) 3.653 3.064 ( 1.363 2.562 -5.961) 6.630 3.098 ( 2.935 1.815 -4.066) 5.333 3.199 ( -0.643 1.542 2.532) 3.033 3.275 ( -1.551 -1.739 -0.109) 2.333 3.441 ( -1.044 -0.288 2.651) 2.863 3.597 ( 1.016 1.384 -2.169) 2.766 3.756 ( -0.500 -0.521 0.014) 0.722 3.819 ( 1.302 0.318 -1.311) 1.875 4.186 ( 4.055 -0.476 3.374) 5.297 4.254 ( -2.090 -0.810 -3.687) 4.315 4.449 ( -2.135 3.843 2.387) 5.002 4.547 ( -0.423 -3.157 0.567) 3.235 4.641 ( 0.028 4.654 -1.404) 4.861 4.729 ( 2.757 -1.307 -2.567) 3.988 4.814 ( -0.659 -2.390 1.328) 2.812 4.840 ( 1.213 -2.839 0.508) 3.129 5.547 ( -0.209 0.309 0.367) 0.524 5.550 ( -0.174 0.263 0.169) 0.357 6.406 ( 2.012 1.863 1.968) 3.375 6.468 ( 0.094 -0.365 -2.201) 2.233 6.771 ( 0.592 0.837 1.838) 2.104 6.822 ( -1.232 -1.196 -1.843) 2.519 7.076 ( 0.042 0.536 1.151) 1.271 7.109 ( -1.170 -1.570 -1.154) 2.273 ======================= Grid point 96 (54/75) ======================= q-point: (-0.29 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 2.356 1.914 -1.899) 3.581 0.940 ( 1.894 2.353 -1.133) 3.226 0.986 ( -0.927 0.879 -1.618) 2.061 1.081 ( -0.099 1.008 -0.542) 1.149 1.085 ( -0.159 2.296 -2.754) 3.590 1.149 ( 0.671 -3.003 -2.878) 4.213 1.279 ( -1.016 3.390 2.377) 4.263 1.350 ( -0.322 -2.416 4.383) 5.015 1.478 ( -0.267 5.710 -1.197) 5.841 1.535 ( 3.717 1.409 1.198) 4.152 1.636 ( 0.637 -1.311 1.444) 2.052 1.674 ( -2.790 0.275 4.072) 4.944 1.719 ( 1.037 -0.215 0.114) 1.065 1.766 ( -2.368 -1.638 2.030) 3.523 1.804 ( -1.161 0.366 -2.132) 2.456 1.853 ( -1.991 1.068 0.321) 2.282 1.926 ( 0.944 -1.658 0.869) 2.097 1.966 ( -2.723 -2.723 -0.338) 3.865 1.989 ( 0.442 2.328 -0.721) 2.476 2.025 ( -0.602 0.265 -1.063) 1.250 2.059 ( -1.960 -2.340 -0.106) 3.054 2.087 ( 1.595 -3.877 -1.518) 4.459 2.315 ( 3.863 0.222 -3.251) 5.053 2.417 ( 4.188 -0.096 0.824) 4.270 2.426 ( 1.916 -0.523 3.168) 3.739 2.530 ( 0.243 1.197 -1.283) 1.771 2.622 ( -2.964 -1.450 -2.115) 3.919 2.694 ( -2.340 -2.872 0.639) 3.759 2.820 ( -3.043 3.278 4.218) 6.148 2.877 ( -2.404 -1.400 4.270) 5.096 3.003 ( -1.640 0.908 -6.653) 6.912 3.080 ( -0.909 -0.221 -4.955) 5.042 3.229 ( 0.992 -1.314 2.536) 3.023 3.282 ( 1.325 2.046 2.327) 3.370 3.449 ( -0.200 -0.476 2.165) 2.226 3.593 ( 0.531 0.008 -1.926) 1.998 3.769 ( 1.414 -1.016 0.454) 1.799 3.829 ( 0.537 1.582 -1.027) 1.961 4.192 ( -0.507 -0.747 -3.632) 3.742 4.290 ( 3.720 -0.512 1.792) 4.161 4.430 ( -1.801 3.966 2.981) 5.278 4.537 ( -1.136 -4.209 1.162) 4.512 4.631 ( 0.262 4.260 -1.630) 4.568 4.758 ( 2.493 -2.743 -2.482) 4.461 4.834 ( 1.273 0.506 1.472) 2.011 4.877 ( 1.898 -2.798 0.480) 3.415 5.543 ( -0.468 0.233 0.316) 0.611 5.548 ( -0.164 0.322 0.109) 0.378 6.449 ( 1.844 2.094 -1.017) 2.969 6.507 ( 4.350 -0.796 1.362) 4.627 6.744 ( -2.743 1.191 -1.656) 3.419 6.809 ( -0.631 -1.731 1.037) 2.114 7.050 ( -2.357 0.008 -0.669) 2.450 7.103 ( 0.329 -0.769 0.773) 1.139 ======================= Grid point 97 (55/75) ======================= q-point: (-0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.419 2.712 -0.433) 2.778 0.949 ( 1.876 2.802 -3.518) 4.873 0.983 ( 0.278 1.882 0.775) 2.054 1.045 ( -0.006 -2.327 -4.720) 5.262 1.089 ( 0.777 1.979 -0.082) 2.128 1.138 ( 0.876 -0.354 -2.635) 2.799 1.261 ( -1.772 2.260 0.442) 2.905 1.396 ( -0.570 0.934 4.698) 4.824 1.464 ( -0.560 4.017 1.790) 4.433 1.596 ( -1.292 1.986 5.782) 6.249 1.641 ( -0.252 -0.023 0.732) 0.775 1.669 ( 0.253 -3.660 0.934) 3.786 1.718 ( -1.155 1.181 0.952) 1.906 1.739 ( -0.305 -0.791 -0.933) 1.260 1.813 ( 0.051 3.344 3.266) 4.675 1.844 ( 1.173 0.260 -0.053) 1.203 1.905 ( -1.975 -3.361 0.273) 3.908 1.951 ( 1.321 -2.457 -1.426) 3.133 1.971 ( -1.849 1.593 -0.568) 2.506 2.012 ( 0.560 1.037 -1.930) 2.262 2.039 ( -0.254 -2.365 0.379) 2.408 2.102 ( 0.802 -2.769 -1.322) 3.171 2.351 ( 1.922 -0.027 -1.510) 2.444 2.472 ( 0.482 0.100 0.296) 0.574 2.482 ( 2.391 -0.062 0.121) 2.394 2.509 ( -1.781 -0.903 0.287) 2.018 2.595 ( 2.372 2.555 -3.123) 4.680 2.675 ( 0.457 -3.135 -0.827) 3.274 2.772 ( -3.417 5.645 1.382) 6.742 2.859 ( -3.237 -0.408 3.421) 4.727 2.923 ( -2.029 -3.429 -3.032) 5.007 3.012 ( -1.180 -2.186 -4.493) 5.134 3.272 ( 0.692 0.011 2.919) 3.000 3.326 ( 1.014 1.569 1.820) 2.608 3.465 ( -0.309 -0.894 2.394) 2.574 3.590 ( 0.877 -0.888 -1.992) 2.350 3.799 ( 0.975 -0.572 0.392) 1.196 3.823 ( -0.106 1.510 -0.543) 1.608 4.180 ( 1.579 -0.422 -2.210) 2.748 4.327 ( 0.404 1.505 -2.317) 2.792 4.442 ( -0.494 0.891 4.095) 4.220 4.531 ( -0.777 -3.370 1.789) 3.894 4.630 ( 0.727 2.882 -0.221) 2.980 4.779 ( 1.743 -2.125 -2.446) 3.679 4.871 ( 1.094 1.055 1.259) 1.974 4.910 ( 1.145 -2.251 0.103) 2.527 5.536 ( -0.432 0.296 0.253) 0.582 5.546 ( -0.089 0.242 -0.047) 0.262 6.486 ( 2.929 1.529 -1.126) 3.490 6.609 ( 4.371 -0.527 0.815) 4.478 6.674 ( -2.695 0.535 -1.092) 2.956 6.788 ( -2.487 -1.438 1.115) 3.082 7.009 ( -1.289 -0.171 0.265) 1.327 7.111 ( -0.030 -0.306 -0.101) 0.323 ======================= Grid point 126 (56/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -7.995 0.000 -9.718) 12.584 0.455 ( 7.995 0.000 9.718) 12.584 0.728 ( 0.072 0.000 -10.733) 10.733 0.728 ( -0.072 0.000 10.733) 10.733 0.992 ( 2.367 0.000 -1.375) 2.738 0.992 ( -2.367 0.000 1.375) 2.738 1.084 ( 3.177 0.000 -15.900) 16.215 1.084 ( -3.177 0.000 15.900) 16.215 1.445 ( 4.470 0.000 -5.470) 7.064 1.445 ( -4.470 0.000 5.470) 7.064 1.512 ( 4.314 0.000 -2.289) 4.883 1.512 ( -4.314 0.000 2.289) 4.883 1.727 ( -2.082 0.000 -0.772) 2.221 1.727 ( 2.082 0.000 0.772) 2.221 1.784 ( -1.315 0.000 -3.165) 3.428 1.784 ( 1.315 0.000 3.165) 3.428 1.963 ( 0.313 0.000 -3.572) 3.585 1.963 ( -0.313 0.000 3.572) 3.585 2.148 ( 3.130 0.000 -1.664) 3.544 2.148 ( -3.130 0.000 1.664) 3.544 2.252 ( 2.533 0.000 -3.612) 4.412 2.252 ( -2.533 0.000 3.612) 4.412 2.315 ( -4.801 0.000 -0.017) 4.801 2.315 ( 4.801 0.000 0.017) 4.801 2.590 ( -2.781 0.000 -0.532) 2.831 2.590 ( 2.781 0.000 0.532) 2.831 2.730 ( 1.658 0.000 -1.653) 2.341 2.730 ( -1.658 0.000 1.653) 2.341 2.919 ( -7.072 0.000 -3.811) 8.034 2.919 ( 7.072 0.000 3.811) 8.034 3.017 ( 0.313 0.000 -1.152) 1.193 3.017 ( -0.313 0.000 1.152) 1.193 3.178 ( -4.581 0.000 -0.189) 4.585 3.178 ( 4.581 0.000 0.189) 4.585 3.553 ( -2.689 0.000 -2.444) 3.633 3.553 ( 2.689 0.000 2.444) 3.633 3.952 ( -1.944 0.000 -2.012) 2.798 3.952 ( 1.944 0.000 2.012) 2.798 4.301 ( -4.192 0.000 0.277) 4.201 4.301 ( 4.192 0.000 -0.277) 4.201 4.517 ( 3.915 0.000 -5.081) 6.414 4.517 ( -3.915 0.000 5.081) 6.414 4.602 ( 0.570 0.000 -1.458) 1.566 4.602 ( -0.570 0.000 1.458) 1.566 5.065 ( 1.225 0.000 -3.486) 3.695 5.065 ( -1.225 0.000 3.486) 3.695 5.500 ( -0.158 0.000 -0.193) 0.249 5.500 ( 0.158 0.000 0.193) 0.249 6.391 ( 1.911 0.000 -1.322) 2.323 6.391 ( -1.911 0.000 1.322) 2.323 6.914 ( -8.045 0.000 -0.309) 8.051 6.914 ( 8.045 0.000 0.309) 8.051 7.101 ( 3.834 0.000 -2.221) 4.431 7.101 ( -3.834 0.000 2.221) 4.431 ======================= Grid point 128 (57/75) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 7.356 0.000 -8.282) 11.077 0.629 ( 6.547 0.000 -3.957) 7.650 0.714 ( 2.946 0.000 1.484) 3.299 0.847 ( 2.816 0.000 8.498) 8.952 0.945 ( -3.465 0.000 1.171) 3.657 1.008 ( -0.082 0.000 -1.303) 1.306 1.047 ( 8.897 0.000 -18.911) 20.899 1.166 ( 1.181 0.000 5.878) 5.996 1.427 ( -1.887 0.000 5.211) 5.542 1.443 ( -4.618 0.000 4.160) 6.216 1.476 ( 3.857 0.000 -7.786) 8.688 1.541 ( 1.478 0.000 -2.120) 2.585 1.716 ( 0.707 0.000 0.043) 0.708 1.747 ( -1.142 0.000 2.119) 2.407 1.806 ( 3.024 0.000 1.719) 3.479 1.836 ( 1.340 0.000 4.689) 4.877 1.959 ( 1.715 0.000 -2.104) 2.715 2.015 ( 2.251 0.000 4.427) 4.966 2.112 ( -2.213 0.000 2.027) 3.001 2.182 ( -2.360 0.000 4.191) 4.810 2.234 ( 0.553 0.000 -4.288) 4.324 2.269 ( 3.858 0.000 1.705) 4.218 2.275 ( 1.789 0.000 -1.718) 2.480 2.347 ( -0.600 0.000 -2.011) 2.098 2.532 ( -2.646 0.000 -1.186) 2.900 2.625 ( -2.125 0.000 -0.632) 2.217 2.706 ( -0.314 0.000 3.420) 3.435 2.728 ( -0.791 0.000 -0.329) 0.856 2.802 ( -1.443 0.000 -3.457) 3.746 2.999 ( -0.156 0.000 0.622) 0.641 3.032 ( 1.280 0.000 -0.713) 1.465 3.087 ( -4.321 0.000 0.666) 4.372 3.135 ( 7.312 0.000 5.454) 9.122 3.241 ( 2.214 0.000 -1.963) 2.959 3.478 ( -2.267 0.000 -2.256) 3.198 3.604 ( 1.092 0.000 0.710) 1.303 3.896 ( -1.792 0.000 -0.195) 1.803 3.943 ( -4.047 0.000 -0.991) 4.167 4.237 ( -3.456 0.000 2.509) 4.270 4.342 ( -1.142 0.000 1.106) 1.590 4.498 ( -2.395 0.000 4.383) 4.995 4.534 ( 2.797 0.000 -6.899) 7.445 4.587 ( -2.418 0.000 1.133) 2.670 4.599 ( 0.513 0.000 -1.413) 1.503 5.069 ( 2.550 0.000 -3.156) 4.057 5.071 ( -1.254 0.000 3.552) 3.767 5.496 ( -0.049 0.000 -0.139) 0.147 5.503 ( -0.038 0.000 0.101) 0.108 6.345 ( -3.886 0.000 1.735) 4.256 6.401 ( 0.683 0.000 -1.547) 1.691 6.828 ( -2.764 0.000 3.551) 4.500 7.009 ( -5.939 0.000 -0.301) 5.946 7.079 ( 3.753 0.000 3.299) 4.997 7.146 ( 3.621 0.000 -3.773) 5.229 ======================= Grid point 129 (58/75) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 12.301 0.000 0.365) 12.307 0.707 ( 5.532 0.000 -5.184) 7.582 0.778 ( 2.698 0.000 0.471) 2.739 0.910 ( -2.839 0.000 6.576) 7.162 0.950 ( 2.378 0.000 1.911) 3.051 0.964 ( -2.472 0.000 -0.717) 2.574 1.081 ( 7.385 0.000 -11.128) 13.355 1.200 ( 0.509 0.000 -1.826) 1.895 1.412 ( -2.142 0.000 4.379) 4.875 1.468 ( 2.518 0.000 -6.566) 7.033 1.470 ( 0.774 0.000 6.343) 6.390 1.552 ( 2.083 0.000 -3.982) 4.494 1.746 ( 1.514 0.000 1.528) 2.151 1.771 ( -0.732 0.000 4.783) 4.838 1.824 ( -2.213 0.000 3.325) 3.994 1.907 ( 2.901 0.000 -2.244) 3.668 1.992 ( 3.974 0.000 -2.468) 4.678 2.092 ( 2.373 0.000 1.157) 2.640 2.120 ( 2.440 0.000 -0.993) 2.635 2.156 ( -3.803 0.000 6.198) 7.272 2.252 ( 3.608 0.000 -3.470) 5.006 2.300 ( -1.679 0.000 -0.505) 1.753 2.300 ( 1.688 0.000 0.041) 1.688 2.383 ( 1.674 0.000 4.354) 4.665 2.480 ( -1.530 0.000 -0.510) 1.612 2.566 ( 0.145 0.000 -0.008) 0.145 2.695 ( -3.433 0.000 0.339) 3.450 2.701 ( -1.513 0.000 0.171) 1.522 2.817 ( 2.280 0.000 0.365) 2.309 2.948 ( -4.050 0.000 -1.636) 4.367 3.041 ( 0.756 0.000 -0.662) 1.004 3.076 ( -0.061 0.000 5.031) 5.032 3.219 ( 0.084 0.000 -6.603) 6.603 3.254 ( -0.109 0.000 2.981) 2.983 3.458 ( 0.373 0.000 1.549) 1.593 3.606 ( -0.683 0.000 -1.094) 1.290 3.842 ( -1.480 0.000 -3.733) 4.016 3.887 ( 0.163 0.000 0.601) 0.622 4.208 ( -2.471 0.000 3.586) 4.355 4.299 ( -2.311 0.000 -2.544) 3.437 4.470 ( -4.166 0.000 5.346) 6.778 4.510 ( 1.383 0.000 -7.298) 7.428 4.560 ( -1.414 0.000 2.161) 2.582 4.593 ( 0.553 0.000 -2.659) 2.716 5.081 ( -0.917 0.000 3.673) 3.786 5.098 ( 2.503 0.000 -2.795) 3.752 5.495 ( -0.000 0.000 -0.035) 0.035 5.500 ( -0.252 0.000 0.009) 0.252 6.296 ( -2.888 0.000 2.828) 4.042 6.387 ( -0.603 0.000 -2.780) 2.844 6.832 ( -1.124 0.000 4.103) 4.254 6.874 ( -3.372 0.000 -5.062) 6.082 7.140 ( 0.163 0.000 4.034) 4.037 7.174 ( 3.276 0.000 -5.091) 6.054 ======================= Grid point 130 (59/75) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 3.838 0.000 -0.978) 3.961 0.709 ( -0.197 0.000 -1.869) 1.880 0.878 ( 6.773 0.000 -2.442) 7.200 0.918 ( 0.942 0.000 -3.485) 3.611 0.929 ( -3.462 0.000 10.340) 10.904 0.973 ( -1.449 0.000 -0.669) 1.596 1.127 ( 2.140 0.000 0.380) 2.173 1.170 ( -0.266 0.000 -4.483) 4.491 1.431 ( -0.161 0.000 4.698) 4.700 1.463 ( 1.437 0.000 -4.956) 5.160 1.539 ( -0.950 0.000 7.755) 7.813 1.552 ( 3.051 0.000 -6.711) 7.372 1.758 ( -0.518 0.000 2.293) 2.350 1.793 ( -3.044 0.000 1.606) 3.442 1.821 ( 2.204 0.000 2.540) 3.363 1.886 ( -0.626 0.000 -5.836) 5.870 2.068 ( 5.598 0.000 -2.987) 6.345 2.115 ( -1.411 0.000 2.068) 2.504 2.153 ( 3.025 0.000 -4.743) 5.626 2.154 ( -1.902 0.000 5.327) 5.657 2.281 ( 1.975 0.000 -2.658) 3.311 2.286 ( -0.699 0.000 1.761) 1.894 2.336 ( 1.744 0.000 -0.177) 1.753 2.370 ( -3.346 0.000 2.179) 3.993 2.488 ( 1.801 0.000 2.536) 3.110 2.575 ( -3.534 0.000 -2.376) 4.258 2.691 ( 3.915 0.000 2.656) 4.731 2.702 ( 1.561 0.000 0.861) 1.783 2.806 ( -3.034 0.000 0.624) 3.098 2.847 ( -4.333 0.000 -2.938) 5.235 3.085 ( 4.167 0.000 -0.021) 4.167 3.122 ( -0.731 0.000 5.765) 5.811 3.172 ( 1.524 0.000 -7.224) 7.383 3.198 ( -5.109 0.000 0.330) 5.119 3.500 ( 1.502 0.000 3.365) 3.684 3.561 ( -1.880 0.000 -2.957) 3.504 3.855 ( 2.907 0.000 -0.317) 2.924 3.891 ( -0.659 0.000 0.198) 0.688 4.203 ( -1.527 0.000 4.322) 4.584 4.232 ( -0.821 0.000 -4.613) 4.686 4.456 ( -3.062 0.000 7.469) 8.073 4.475 ( 1.739 0.000 -7.543) 7.741 4.562 ( -0.734 0.000 2.826) 2.920 4.577 ( 0.508 0.000 -3.283) 3.322 5.097 ( -0.788 0.000 3.654) 3.738 5.108 ( 1.307 0.000 -3.373) 3.617 5.495 ( 0.035 0.000 -0.009) 0.037 5.496 ( -0.120 0.000 0.050) 0.130 6.291 ( -0.576 0.000 3.928) 3.970 6.335 ( -1.163 0.000 -4.267) 4.423 6.826 ( 1.509 0.000 -3.641) 3.941 6.835 ( -2.020 0.000 3.593) 4.122 7.170 ( -0.998 0.000 4.879) 4.980 7.183 ( 2.316 0.000 -5.515) 5.981 ======================= Grid point 134 (60/75) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -4.618 6.895 -6.166) 10.338 0.530 ( 4.618 6.895 6.166) 10.338 0.730 ( 1.197 1.403 -10.791) 10.947 0.730 ( -1.197 1.403 10.791) 10.947 1.006 ( -0.856 1.500 -2.058) 2.687 1.006 ( 0.856 1.500 2.058) 2.687 1.163 ( 1.825 6.291 -8.951) 11.092 1.163 ( -1.825 6.291 8.951) 11.092 1.481 ( 2.378 -0.627 -4.194) 4.862 1.481 ( -2.378 -0.627 4.194) 4.862 1.488 ( 3.854 2.270 -3.178) 5.487 1.488 ( -3.854 2.270 3.178) 5.487 1.728 ( 0.175 -0.343 -0.548) 0.670 1.728 ( -0.175 -0.343 0.548) 0.670 1.808 ( -0.387 2.697 -2.220) 3.515 1.808 ( 0.387 2.697 2.220) 3.515 1.976 ( 0.339 1.051 -2.207) 2.468 1.976 ( -0.339 1.051 2.207) 2.468 2.120 ( -1.545 -2.905 0.130) 3.293 2.120 ( 1.545 -2.905 -0.130) 3.293 2.243 ( 2.255 -0.742 -2.940) 3.779 2.243 ( -2.255 -0.742 2.940) 3.779 2.297 ( -1.708 -1.559 -1.323) 2.664 2.297 ( 1.708 -1.559 1.323) 2.664 2.563 ( -2.799 -2.701 -0.844) 3.980 2.563 ( 2.799 -2.701 0.844) 3.980 2.721 ( 2.142 -1.062 -1.212) 2.680 2.721 ( -2.142 -1.062 1.212) 2.680 2.838 ( -2.816 -4.461 -1.080) 5.385 2.838 ( 2.816 -4.461 1.080) 5.385 3.051 ( -1.939 0.978 -1.825) 2.837 3.051 ( 1.939 0.978 1.825) 2.837 3.235 ( -4.852 4.049 0.002) 6.319 3.235 ( 4.852 4.049 -0.002) 6.319 3.553 ( -2.968 0.542 -1.929) 3.581 3.553 ( 2.968 0.542 1.929) 3.581 3.900 ( -0.348 -4.301 -0.891) 4.406 3.900 ( 0.348 -4.301 0.891) 4.406 4.278 ( 0.925 -2.276 -3.115) 3.968 4.278 ( -0.925 -2.276 3.115) 3.968 4.525 ( -1.953 0.887 -0.398) 2.182 4.525 ( 1.953 0.887 0.398) 2.182 4.634 ( 0.239 2.474 -0.869) 2.633 4.634 ( -0.239 2.474 0.869) 2.633 5.047 ( 1.030 -1.866 -3.025) 3.700 5.047 ( -1.030 -1.866 3.025) 3.700 5.504 ( -0.246 0.466 -0.245) 0.581 5.504 ( 0.246 0.466 0.245) 0.581 6.417 ( 0.887 2.359 -1.889) 3.150 6.417 ( -0.887 2.359 1.889) 3.150 6.882 ( -6.599 -2.995 0.232) 7.250 6.882 ( 6.599 -2.995 -0.232) 7.250 7.097 ( 1.577 -0.430 -1.003) 1.918 7.097 ( -1.577 -0.430 1.003) 1.918 ======================= Grid point 136 (61/75) ======================= q-point: ( 0.14 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 5.128 11.833 -5.470) 14.008 0.636 ( 6.051 1.587 -6.132) 8.760 0.743 ( 3.518 2.984 1.929) 5.000 0.846 ( 2.609 0.041 10.611) 10.927 0.957 ( -1.612 1.186 -1.959) 2.800 1.035 ( 0.520 2.639 -0.250) 2.701 1.106 ( 0.996 4.618 -7.595) 8.945 1.197 ( 0.613 4.526 -1.881) 4.940 1.408 ( -1.734 -2.213 1.223) 3.066 1.481 ( -1.434 2.687 5.552) 6.332 1.517 ( 3.858 0.774 -5.346) 6.638 1.546 ( 1.136 4.180 -1.996) 4.769 1.690 ( -1.623 -1.954 0.230) 2.550 1.754 ( 1.241 1.132 1.534) 2.275 1.827 ( 2.439 1.302 1.463) 3.128 1.863 ( 1.806 2.075 3.062) 4.116 1.975 ( 1.048 1.349 -0.928) 1.944 2.008 ( 1.734 -0.490 1.411) 2.288 2.082 ( -1.859 -3.016 1.705) 3.932 2.154 ( -1.930 -2.950 3.442) 4.927 2.247 ( 0.363 0.510 -0.339) 0.712 2.255 ( 2.281 -0.741 -3.073) 3.898 2.276 ( 3.424 -0.034 1.554) 3.760 2.331 ( 0.187 -1.215 -0.541) 1.343 2.496 ( -2.962 -3.206 -0.583) 4.404 2.598 ( -1.515 -2.234 -0.119) 2.702 2.683 ( -0.427 -2.612 0.772) 2.757 2.724 ( -0.480 0.574 -0.306) 0.809 2.818 ( 0.425 0.829 -0.548) 1.081 2.916 ( 4.547 -7.561 -0.307) 8.828 3.034 ( 0.814 0.187 0.096) 0.841 3.095 ( -4.777 1.762 0.782) 5.151 3.145 ( 1.223 1.008 1.035) 1.893 3.295 ( 1.264 2.952 -1.594) 3.585 3.482 ( -2.466 0.887 -0.551) 2.678 3.601 ( 0.730 -0.166 0.314) 0.812 3.880 ( -0.478 -1.407 -0.391) 1.536 3.892 ( -1.683 -4.131 -0.645) 4.507 4.237 ( -2.338 -1.065 0.728) 2.671 4.306 ( -0.029 -2.663 0.753) 2.767 4.458 ( -3.286 -1.596 0.097) 3.654 4.559 ( -0.243 1.844 0.578) 1.947 4.612 ( -0.423 1.320 -0.654) 1.532 4.647 ( -0.317 3.522 -1.195) 3.732 5.041 ( 0.174 -2.469 0.152) 2.480 5.061 ( 0.818 -1.492 0.209) 1.714 5.499 ( -0.024 0.327 -0.094) 0.341 5.510 ( 0.033 0.653 0.100) 0.661 6.364 ( -3.867 1.750 1.364) 4.458 6.433 ( 0.224 2.982 -0.666) 3.064 6.804 ( -2.592 -2.217 2.746) 4.379 6.993 ( -2.620 -3.772 -2.510) 5.234 7.031 ( 2.070 -1.138 3.086) 3.886 7.155 ( 3.262 -0.040 -2.234) 3.954 ======================= Grid point 137 (62/75) ======================= q-point: ( 0.29 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 9.074 6.752 -0.392) 11.318 0.721 ( 7.685 1.518 -5.482) 9.561 0.804 ( 1.460 2.655 0.396) 3.056 0.919 ( -1.444 1.072 4.545) 4.888 0.987 ( 3.382 2.431 3.860) 5.678 1.004 ( -2.936 3.443 -0.200) 4.529 1.069 ( 0.943 -0.784 -5.287) 5.428 1.191 ( 1.264 2.283 -3.111) 4.061 1.436 ( 1.521 0.655 2.920) 3.357 1.493 ( -0.627 0.619 1.128) 1.431 1.512 ( -0.920 1.278 0.375) 1.619 1.545 ( 3.249 3.668 -6.773) 8.360 1.701 ( 0.834 -2.489 3.534) 4.402 1.788 ( -0.985 1.308 3.429) 3.800 1.871 ( -0.065 2.813 0.676) 2.893 1.905 ( 2.348 -0.240 -2.433) 3.390 2.003 ( 2.937 0.317 -1.544) 3.333 2.037 ( 1.398 -3.732 -1.268) 4.182 2.112 ( 1.709 -1.251 1.541) 2.620 2.131 ( -2.059 -2.609 5.027) 6.026 2.258 ( 3.031 0.140 -4.634) 5.539 2.276 ( 1.476 -2.393 0.538) 2.863 2.320 ( -0.025 1.829 -0.911) 2.044 2.372 ( -0.104 -0.811 4.290) 4.367 2.466 ( 0.139 -1.265 1.145) 1.712 2.564 ( 1.223 -0.368 -0.204) 1.293 2.656 ( -1.529 -2.521 -1.541) 3.326 2.757 ( -0.057 3.061 3.547) 4.686 2.811 ( -0.409 0.769 0.315) 0.926 2.965 ( -6.666 0.841 -0.789) 6.765 2.992 ( 3.722 -4.553 -0.401) 5.895 3.076 ( 2.034 -0.109 2.291) 3.065 3.189 ( 0.436 -3.455 -0.315) 3.496 3.256 ( -1.862 2.061 -4.093) 4.946 3.463 ( -1.085 0.234 2.875) 3.082 3.590 ( -1.150 -1.475 -1.527) 2.415 3.835 ( -0.501 -1.088 -2.819) 3.063 3.888 ( 0.239 -0.066 0.160) 0.295 4.209 ( -1.206 -0.073 1.342) 1.806 4.295 ( -1.529 -0.167 -0.032) 1.538 4.406 ( -2.322 -3.695 1.364) 4.572 4.533 ( -1.987 1.041 -1.628) 2.772 4.596 ( 0.131 1.505 -1.759) 2.319 4.619 ( -1.214 3.274 -0.326) 3.507 5.052 ( -0.158 -2.823 2.255) 3.616 5.080 ( 1.471 -1.950 -1.537) 2.886 5.501 ( 0.139 0.551 0.032) 0.569 5.508 ( -0.214 0.766 0.007) 0.795 6.312 ( -2.798 1.583 2.413) 4.020 6.412 ( -1.438 2.345 -2.120) 3.473 6.798 ( -0.516 -2.518 1.338) 2.898 6.887 ( -2.915 0.455 -2.512) 3.875 7.107 ( 2.007 -2.402 2.416) 3.954 7.180 ( 1.866 -0.139 -3.093) 3.615 ======================= Grid point 138 (63/75) ======================= q-point: ( 0.43 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 3.355 3.317 -0.301) 4.727 0.752 ( -0.067 3.819 -2.282) 4.449 0.886 ( 7.550 0.787 -3.613) 8.407 0.937 ( -2.667 1.614 6.588) 7.289 0.961 ( -0.622 3.281 0.818) 3.438 1.004 ( -2.169 2.643 -1.905) 3.914 1.100 ( 3.505 -1.601 1.181) 4.030 1.168 ( -1.711 0.891 -1.944) 2.739 1.462 ( -0.612 2.463 2.807) 3.784 1.479 ( 0.012 0.342 -2.186) 2.212 1.544 ( 2.737 -0.246 -1.562) 3.161 1.558 ( 0.677 2.110 0.568) 2.288 1.741 ( 0.180 -1.340 3.024) 3.313 1.779 ( -1.892 -0.182 1.324) 2.316 1.857 ( 0.517 1.927 -0.587) 2.080 1.894 ( -0.650 0.980 -3.582) 3.770 2.040 ( 1.845 -2.651 -1.195) 3.443 2.054 ( 0.437 -4.511 -0.661) 4.580 2.132 ( 0.882 -1.228 3.061) 3.414 2.161 ( 0.397 -1.087 -0.837) 1.428 2.290 ( 3.769 0.126 -3.254) 4.981 2.314 ( 1.443 -1.602 0.232) 2.169 2.319 ( -0.019 2.121 0.089) 2.123 2.352 ( -3.491 -2.045 2.940) 5.001 2.492 ( 1.959 0.070 2.213) 2.956 2.573 ( -2.915 -0.692 -2.550) 3.934 2.681 ( 5.047 0.631 1.819) 5.402 2.759 ( -1.730 4.831 2.469) 5.695 2.806 ( -1.221 0.238 0.740) 1.448 2.845 ( -4.046 0.086 -2.179) 4.597 3.063 ( 3.773 -2.990 0.853) 4.889 3.131 ( 0.503 -2.099 1.654) 2.719 3.150 ( -2.323 -1.099 -0.333) 2.591 3.189 ( -1.319 1.694 -3.848) 4.407 3.483 ( 0.486 -1.410 3.727) 4.015 3.539 ( -1.774 -1.957 -3.313) 4.237 3.847 ( 2.349 -1.036 -0.135) 2.570 3.884 ( -0.907 -0.897 -0.350) 1.323 4.212 ( 0.336 0.955 1.471) 1.786 4.249 ( -1.993 1.545 -1.550) 2.960 4.413 ( 0.430 -2.975 3.937) 4.954 4.470 ( -1.773 -0.744 -3.862) 4.315 4.592 ( 0.376 2.026 -0.670) 2.167 4.599 ( -0.799 2.374 0.141) 2.509 5.070 ( -0.268 -2.718 2.718) 3.853 5.084 ( 0.731 -2.465 -2.475) 3.569 5.503 ( 0.075 0.756 0.016) 0.760 5.505 ( -0.108 0.796 0.027) 0.804 6.307 ( -0.388 1.502 3.508) 3.836 6.352 ( -1.599 1.664 -3.789) 4.437 6.810 ( 1.527 -1.094 -0.298) 1.901 6.842 ( -1.807 0.168 0.253) 1.833 7.154 ( 0.528 -1.412 2.988) 3.347 7.178 ( 0.866 -0.676 -3.495) 3.664 ======================= Grid point 142 (64/75) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 1.652 8.764 -2.424) 9.242 0.686 ( -1.652 8.764 2.424) 9.242 0.801 ( 1.375 5.428 -5.179) 7.627 0.801 ( -1.375 5.428 5.179) 7.627 1.030 ( -1.630 0.840 -3.897) 4.307 1.030 ( 1.630 0.840 3.897) 4.307 1.287 ( -3.174 6.044 0.200) 6.830 1.287 ( 3.174 6.044 -0.200) 6.830 1.439 ( -2.885 -1.115 -1.207) 3.320 1.439 ( 2.885 -1.115 1.207) 3.320 1.584 ( 3.378 5.134 -6.643) 9.050 1.584 ( -3.378 5.134 6.643) 9.050 1.723 ( 0.158 0.152 -2.138) 2.150 1.723 ( -0.158 0.152 2.138) 2.150 1.864 ( -0.305 2.381 -2.493) 3.461 1.864 ( 0.305 2.381 2.493) 3.461 1.986 ( -0.213 -0.602 -0.578) 0.862 1.986 ( 0.213 -0.602 0.578) 0.862 2.046 ( -1.952 -3.900 -0.082) 4.362 2.046 ( 1.952 -3.900 0.082) 4.362 2.209 ( 0.018 -3.623 -1.466) 3.909 2.209 ( -0.018 -3.623 1.466) 3.909 2.298 ( -0.610 2.866 -1.266) 3.192 2.298 ( 0.610 2.866 1.266) 3.192 2.496 ( -3.675 -3.611 -0.406) 5.169 2.496 ( 3.675 -3.611 0.406) 5.169 2.705 ( -1.361 -0.889 -0.234) 1.642 2.705 ( 1.361 -0.889 0.234) 1.642 2.777 ( -3.349 -1.860 -2.419) 4.531 2.777 ( 3.349 -1.860 2.419) 4.531 3.039 ( -0.150 -2.239 -2.016) 3.016 3.039 ( 0.150 -2.239 2.016) 3.016 3.288 ( -3.753 1.739 0.388) 4.155 3.288 ( 3.753 1.739 -0.388) 4.155 3.575 ( -2.287 0.795 -0.928) 2.593 3.575 ( 2.287 0.795 0.928) 2.593 3.837 ( -0.855 -1.487 -1.505) 2.282 3.837 ( 0.855 -1.487 1.505) 2.282 4.226 ( 0.456 -2.605 -2.637) 3.734 4.226 ( -0.456 -2.605 2.637) 3.734 4.542 ( -4.113 0.615 0.287) 4.169 4.542 ( 4.113 0.615 -0.287) 4.169 4.674 ( -0.631 1.561 -1.470) 2.235 4.674 ( 0.631 1.561 1.470) 2.235 5.000 ( 0.263 -2.858 -1.563) 3.268 5.000 ( -0.263 -2.858 1.563) 3.268 5.516 ( -0.465 0.723 -0.249) 0.895 5.516 ( 0.465 0.723 0.249) 0.895 6.468 ( -0.049 2.722 -2.550) 3.730 6.468 ( 0.049 2.722 2.550) 3.730 6.819 ( -2.810 -3.151 -0.643) 4.270 6.819 ( 2.810 -3.151 0.643) 4.270 7.085 ( -0.422 -0.797 -1.609) 1.845 7.085 ( 0.422 -0.797 1.609) 1.845 ======================= Grid point 144 (65/75) ======================= q-point: ( 0.14 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 2.623 10.376 -1.539) 10.812 0.709 ( 4.115 6.557 -4.283) 8.847 0.813 ( 1.625 4.252 0.992) 4.658 0.874 ( 2.471 3.148 6.684) 7.790 0.975 ( -0.636 1.069 -3.590) 3.799 1.087 ( 0.608 2.014 2.332) 3.141 1.214 ( -3.582 6.529 -1.277) 7.556 1.332 ( 0.823 8.044 -1.713) 8.265 1.367 ( -0.121 -1.630 -1.947) 2.542 1.465 ( -0.471 -1.432 1.451) 2.092 1.564 ( -0.121 2.346 -1.242) 2.657 1.632 ( 0.893 2.840 1.459) 3.316 1.700 ( 0.256 3.340 -2.229) 4.023 1.770 ( 2.246 0.730 -0.292) 2.379 1.852 ( 1.528 1.346 1.554) 2.562 1.889 ( 0.887 -0.079 -0.371) 0.964 1.979 ( -0.460 -0.627 0.310) 0.837 2.006 ( 0.809 -1.000 -0.645) 1.439 2.010 ( -1.050 -3.918 1.748) 4.417 2.082 ( 0.471 -3.612 0.743) 3.718 2.203 ( -0.094 -3.398 0.163) 3.404 2.230 ( 1.877 -3.461 -1.819) 4.337 2.308 ( 1.706 2.703 1.484) 3.524 2.339 ( 2.117 2.557 1.753) 3.754 2.437 ( -2.084 -2.231 0.763) 3.147 2.546 ( 0.131 -2.992 0.140) 2.998 2.652 ( -2.861 -0.526 -0.244) 2.919 2.717 ( 1.056 -3.057 -1.139) 3.429 2.770 ( 3.503 -2.936 -0.472) 4.595 2.846 ( 2.495 -0.149 1.167) 2.759 3.041 ( 1.418 -0.113 0.074) 1.425 3.084 ( 1.936 -3.016 0.459) 3.613 3.171 ( -6.982 2.257 0.457) 7.352 3.335 ( 0.643 1.184 -1.656) 2.134 3.516 ( -2.781 2.191 0.183) 3.545 3.594 ( -0.671 -0.851 -0.370) 1.145 3.811 ( -0.207 -2.965 -1.707) 3.427 3.869 ( 1.188 -0.366 0.375) 1.299 4.209 ( -0.209 -0.769 -0.368) 0.878 4.246 ( 0.014 -3.674 1.408) 3.935 4.460 ( -4.303 1.417 0.411) 4.549 4.584 ( 0.437 0.190 -1.144) 1.239 4.637 ( -1.482 1.345 0.017) 2.001 4.698 ( 0.002 1.821 0.079) 1.823 4.981 ( -0.715 -3.459 0.223) 3.539 5.017 ( 0.761 -2.908 -0.036) 3.006 5.509 ( -0.008 0.672 -0.028) 0.672 5.525 ( 0.196 0.857 0.107) 0.886 6.404 ( -3.795 2.295 0.664) 4.485 6.498 ( -0.262 3.373 0.600) 3.436 6.755 ( -1.946 -2.578 0.909) 3.356 6.903 ( 2.528 -4.338 -1.508) 5.242 7.031 ( -1.385 0.133 1.127) 1.790 7.141 ( 2.781 -1.238 -1.254) 3.292 ======================= Grid point 145 (66/75) ======================= q-point: ( 0.29 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 3.314 7.071 -1.086) 7.884 0.780 ( 6.514 4.816 -4.409) 9.224 0.854 ( 1.419 1.753 1.199) 2.554 0.952 ( 0.924 2.367 -0.234) 2.552 0.979 ( 1.419 0.339 4.920) 5.132 1.075 ( -1.681 3.625 0.593) 4.039 1.154 ( -1.616 7.307 -1.554) 7.643 1.285 ( -2.523 5.549 -0.935) 6.167 1.419 ( 4.132 -1.839 -1.783) 4.861 1.471 ( -0.342 0.409 3.569) 3.609 1.548 ( -0.211 1.118 -1.776) 2.109 1.640 ( -0.092 3.591 -2.201) 4.213 1.690 ( 0.552 1.922 1.953) 2.795 1.802 ( 0.074 0.095 1.007) 1.014 1.885 ( 0.134 -1.532 -2.387) 2.840 1.915 ( 2.865 1.406 -0.798) 3.289 1.963 ( -1.096 -2.930 0.865) 3.246 1.991 ( -0.194 -2.044 -0.876) 2.233 2.058 ( 1.180 -4.443 2.838) 5.403 2.100 ( 2.256 -0.528 -0.456) 2.361 2.212 ( 0.517 -3.999 2.036) 4.517 2.241 ( 2.423 -2.217 -4.354) 5.453 2.334 ( -0.351 -1.016 -0.179) 1.089 2.380 ( -1.150 1.637 1.760) 2.665 2.446 ( 0.884 -0.321 2.668) 2.829 2.544 ( 1.346 -2.220 -0.144) 2.600 2.618 ( 0.945 -0.455 -0.337) 1.102 2.764 ( 2.372 -1.177 0.646) 2.725 2.831 ( 2.103 -3.868 2.084) 4.871 2.909 ( 3.377 0.202 0.660) 3.447 3.015 ( -7.446 5.770 1.420) 9.527 3.096 ( 2.241 0.391 0.657) 2.367 3.103 ( -0.443 -4.721 -2.377) 5.304 3.298 ( -1.917 1.274 -2.588) 3.463 3.475 ( -2.565 1.338 1.853) 3.435 3.562 ( -1.602 -1.139 -1.394) 2.410 3.799 ( 0.623 -2.106 -1.589) 2.711 3.877 ( -0.186 -1.226 -0.820) 1.487 4.210 ( -0.237 -0.446 0.965) 1.089 4.263 ( 0.853 -2.340 1.571) 2.945 4.394 ( -2.953 2.469 0.673) 3.908 4.541 ( -2.427 -0.389 -3.440) 4.228 4.623 ( -0.336 1.317 0.482) 1.442 4.680 ( -1.485 2.585 -0.196) 2.987 4.981 ( 0.012 -4.403 1.092) 4.537 5.025 ( 0.349 -3.608 -0.729) 3.698 5.514 ( 0.366 0.819 0.167) 0.912 5.526 ( -0.090 1.018 -0.031) 1.023 6.351 ( -2.567 2.244 1.696) 3.808 6.465 ( -2.815 2.883 -1.149) 4.190 6.752 ( 0.892 -2.058 0.407) 2.280 6.880 ( -1.534 -1.045 -1.600) 2.451 7.068 ( 2.308 -1.537 1.969) 3.401 7.165 ( 1.292 -1.283 -2.129) 2.801 ======================= Grid point 146 (67/75) ======================= q-point: ( 0.43 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 1.700 3.396 0.274) 3.808 0.817 ( 0.195 2.180 -2.558) 3.367 0.916 ( 5.645 2.413 -2.606) 6.669 0.969 ( -1.994 1.811 3.451) 4.378 1.018 ( 0.764 2.188 2.894) 3.708 1.060 ( -0.951 3.894 -2.046) 4.500 1.141 ( 1.653 5.502 1.062) 5.842 1.215 ( -3.965 3.435 -1.111) 5.363 1.463 ( 1.803 -1.063 0.543) 2.162 1.499 ( -0.811 0.939 -0.371) 1.294 1.552 ( 2.317 1.062 1.295) 2.859 1.610 ( -1.297 2.273 -2.231) 3.438 1.732 ( 1.527 0.909 2.231) 2.852 1.787 ( -2.650 1.023 0.649) 2.914 1.873 ( 2.616 -0.131 -2.607) 3.695 1.922 ( -1.750 1.426 -0.521) 2.317 1.970 ( 0.678 -3.997 0.332) 4.068 1.980 ( -0.427 -3.303 0.023) 3.331 2.099 ( 1.287 -2.910 1.912) 3.713 2.124 ( 0.558 -1.944 -1.547) 2.547 2.255 ( 3.177 -3.135 -4.289) 6.190 2.265 ( 0.764 -4.371 3.582) 5.703 2.306 ( -0.862 -1.476 0.045) 1.710 2.347 ( -2.898 -0.014 0.367) 2.921 2.486 ( 1.620 -0.780 1.913) 2.625 2.533 ( -1.080 -3.340 -2.288) 4.190 2.720 ( 6.531 2.986 2.363) 7.560 2.815 ( 3.023 1.108 0.133) 3.222 2.848 ( -3.046 -0.624 -0.302) 3.124 2.883 ( -6.199 6.483 1.617) 9.114 2.979 ( 3.192 -3.732 1.094) 5.032 3.049 ( -2.233 -4.673 -2.895) 5.934 3.163 ( 2.550 1.408 2.931) 4.132 3.234 ( -2.214 1.942 -3.089) 4.268 3.465 ( -0.029 0.030 2.528) 2.529 3.510 ( -1.959 -0.556 -2.464) 3.196 3.814 ( 1.624 -2.133 0.125) 2.683 3.853 ( -1.429 -2.235 -1.100) 2.872 4.226 ( 1.204 -0.244 1.636) 2.046 4.271 ( -1.437 0.287 -0.791) 1.665 4.386 ( 1.160 1.171 3.001) 3.424 4.458 ( -2.634 -0.192 -3.925) 4.730 4.628 ( 0.495 1.662 0.368) 1.773 4.649 ( -1.382 2.319 -0.266) 2.713 4.997 ( 0.458 -4.708 1.449) 4.947 5.017 ( -0.278 -4.354 -1.308) 4.555 5.521 ( 0.172 1.016 0.105) 1.035 5.524 ( -0.078 1.085 -0.053) 1.089 6.344 ( -0.029 2.234 2.723) 3.522 6.392 ( -2.342 2.339 -2.911) 4.408 6.790 ( 2.256 -0.939 0.809) 2.574 6.839 ( -1.976 -0.402 -0.802) 2.170 7.123 ( 1.405 -1.655 2.268) 3.140 7.157 ( -0.005 -1.408 -2.540) 2.905 ======================= Grid point 150 (68/75) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -1.538 5.922 -2.522) 6.618 0.836 ( 1.538 5.922 2.522) 6.618 0.910 ( 1.111 5.286 -0.978) 5.489 0.910 ( -1.111 5.286 0.978) 5.489 1.054 ( -0.986 2.236 -2.986) 3.858 1.054 ( 0.986 2.236 2.986) 3.858 1.338 ( -1.657 -0.348 -2.267) 2.829 1.338 ( 1.657 -0.348 2.267) 2.829 1.496 ( 1.013 6.313 -3.789) 7.432 1.496 ( -1.013 6.313 3.789) 7.432 1.661 ( 1.518 2.836 -3.862) 5.027 1.661 ( -1.518 2.836 3.862) 5.027 1.738 ( -2.060 1.362 -3.695) 4.444 1.738 ( 2.060 1.362 3.695) 4.444 1.880 ( 0.758 -1.242 -4.388) 4.623 1.880 ( -0.758 -1.242 4.388) 4.623 1.934 ( 0.925 -2.819 -3.079) 4.276 1.934 ( -0.925 -2.819 3.079) 4.276 2.013 ( -1.140 -0.748 -0.964) 1.670 2.013 ( 1.140 -0.748 0.964) 1.670 2.119 ( -0.601 -5.174 -0.878) 5.283 2.119 ( 0.601 -5.174 0.878) 5.283 2.375 ( -0.467 3.452 -1.217) 3.690 2.375 ( 0.467 3.452 1.217) 3.690 2.456 ( -2.115 0.393 -0.361) 2.181 2.456 ( 2.115 0.393 0.361) 2.181 2.655 ( -0.851 -3.745 -2.755) 4.726 2.655 ( 0.851 -3.745 2.755) 4.726 2.784 ( -3.162 1.802 -1.668) 4.003 2.784 ( 3.162 1.802 1.668) 4.003 2.974 ( 2.842 -4.077 -2.204) 5.437 2.974 ( -2.842 -4.077 2.204) 5.437 3.319 ( 0.666 1.662 -1.041) 2.071 3.319 ( -0.666 1.662 1.041) 2.071 3.564 ( 0.171 -1.509 -1.580) 2.191 3.564 ( -0.171 -1.509 1.580) 2.191 3.831 ( -1.422 -0.111 -0.617) 1.554 3.831 ( 1.422 -0.111 0.617) 1.554 4.199 ( -1.103 0.087 -0.455) 1.196 4.199 ( 1.103 0.087 0.455) 1.196 4.541 ( 1.588 -0.727 -1.600) 2.368 4.541 ( -1.588 -0.727 1.600) 2.368 4.697 ( -0.025 0.905 -3.415) 3.533 4.697 ( 0.025 0.905 3.415) 3.533 4.946 ( -0.865 -2.537 -0.411) 2.712 4.946 ( 0.865 -2.537 0.411) 2.712 5.530 ( -0.471 0.660 -0.173) 0.829 5.530 ( 0.471 0.660 0.173) 0.829 6.513 ( -1.315 1.865 -2.115) 3.111 6.513 ( 1.315 1.865 2.115) 3.111 6.770 ( -2.655 -1.928 -0.777) 3.372 6.770 ( 2.655 -1.928 0.777) 3.372 7.069 ( -0.750 -0.812 -2.073) 2.349 7.069 ( 0.750 -0.812 2.073) 2.349 ======================= Grid point 152 (69/75) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.357 4.944 0.067) 4.957 0.864 ( -0.014 5.386 -0.394) 5.400 0.912 ( -0.079 4.712 0.637) 4.756 0.955 ( 4.172 5.133 0.086) 6.615 1.023 ( 0.017 4.000 -2.128) 4.531 1.103 ( 1.121 0.053 2.600) 2.832 1.281 ( -1.141 -0.043 -2.272) 2.543 1.363 ( -0.006 1.636 -0.564) 1.731 1.487 ( 0.634 5.053 -1.706) 5.371 1.495 ( -1.929 7.191 2.493) 7.851 1.610 ( -2.964 2.692 -0.811) 4.085 1.673 ( -0.803 1.252 2.639) 3.030 1.719 ( 1.128 -0.782 -0.706) 1.543 1.821 ( 0.793 2.788 -3.093) 4.238 1.852 ( 3.890 -1.862 -2.749) 5.114 1.872 ( -0.988 -0.427 2.113) 2.371 1.936 ( -0.516 -3.089 1.652) 3.541 1.946 ( -0.335 -1.804 0.963) 2.072 1.987 ( -0.323 -0.843 -0.827) 1.224 2.029 ( 1.274 -2.530 -2.807) 3.988 2.130 ( 1.322 -4.934 1.127) 5.231 2.140 ( 0.699 -4.805 0.651) 4.899 2.342 ( -1.423 0.750 -1.188) 1.999 2.410 ( 1.639 2.817 2.452) 4.079 2.426 ( -1.274 2.100 2.064) 3.208 2.506 ( 0.712 -0.599 0.083) 0.934 2.609 ( -1.142 -3.775 -2.366) 4.599 2.684 ( 0.653 -0.139 1.511) 1.652 2.722 ( -0.257 -1.765 0.539) 1.863 2.876 ( 4.656 2.625 -1.123) 5.462 2.972 ( 0.203 -5.624 3.078) 6.415 3.039 ( 4.564 -2.567 -2.016) 5.610 3.245 ( -5.112 5.171 1.643) 7.454 3.341 ( -0.197 -0.358 -1.529) 1.582 3.537 ( -1.114 -0.087 -0.682) 1.309 3.565 ( -0.888 -1.979 -0.086) 2.171 3.797 ( -1.060 0.962 -0.926) 1.705 3.852 ( 0.531 -1.607 -0.603) 1.797 4.174 ( -1.506 -2.306 0.592) 2.817 4.234 ( 1.864 2.183 0.783) 2.975 4.492 ( -2.957 1.560 1.633) 3.721 4.564 ( 0.456 -1.901 -2.170) 2.921 4.660 ( -0.831 0.895 -2.097) 2.427 4.721 ( -0.489 0.640 2.244) 2.384 4.920 ( -1.369 -2.673 -0.330) 3.021 4.957 ( 0.024 -3.117 0.171) 3.122 5.524 ( 0.015 0.829 0.051) 0.831 5.540 ( 0.317 0.566 0.076) 0.654 6.445 ( -3.661 1.764 0.272) 4.073 6.554 ( -0.313 2.339 1.328) 2.708 6.713 ( -1.196 -1.684 -0.684) 2.176 6.837 ( 2.868 -2.481 -0.648) 3.847 7.030 ( -0.772 -0.160 -0.161) 0.805 7.115 ( 1.942 -1.298 0.031) 2.336 ======================= Grid point 153 (70/75) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.235 2.341 0.695) 2.454 0.866 ( 1.868 3.981 -2.179) 4.908 0.911 ( 0.756 4.114 -0.016) 4.183 1.013 ( 0.746 3.239 -0.515) 3.364 1.030 ( 1.569 3.919 0.935) 4.324 1.127 ( 0.343 1.395 0.878) 1.684 1.265 ( 0.107 2.307 -0.875) 2.470 1.339 ( -1.690 3.010 -1.120) 3.630 1.461 ( -2.360 5.233 1.636) 5.970 1.503 ( 1.260 1.410 -1.063) 2.169 1.569 ( -0.283 2.530 -0.648) 2.627 1.662 ( -2.309 -0.821 2.038) 3.187 1.736 ( 1.031 1.398 0.575) 1.829 1.804 ( 1.421 0.385 -3.451) 3.752 1.863 ( 1.195 -0.494 0.112) 1.298 1.898 ( -0.810 -2.228 -1.596) 2.858 1.938 ( -0.793 -2.006 0.168) 2.164 1.951 ( 0.238 0.163 2.559) 2.576 1.997 ( 1.284 -1.627 -0.256) 2.089 2.058 ( 4.169 -3.790 -1.429) 5.813 2.138 ( -1.398 -3.750 2.596) 4.770 2.167 ( 2.124 -5.437 -2.195) 6.236 2.302 ( -2.104 -1.891 -0.800) 2.940 2.407 ( -2.932 1.347 1.241) 3.457 2.450 ( -0.609 -0.080 2.866) 2.931 2.498 ( -0.259 -1.549 -1.253) 2.010 2.625 ( 4.486 -0.381 1.444) 4.728 2.735 ( 3.332 -1.284 0.573) 3.616 2.760 ( 2.568 -1.193 1.850) 3.382 2.937 ( 2.640 1.718 -1.698) 3.578 3.002 ( 0.088 -4.859 1.278) 5.025 3.073 ( -0.228 -1.869 -2.390) 3.043 3.177 ( -2.508 8.242 2.709) 9.031 3.301 ( -1.611 -0.573 -2.226) 2.806 3.503 ( -1.230 1.129 -1.538) 2.270 3.546 ( -1.545 -0.806 1.053) 2.036 3.782 ( -0.093 0.668 -0.400) 0.784 3.841 ( -0.662 -2.422 -1.534) 2.943 4.159 ( -0.758 -2.900 2.217) 3.729 4.275 ( 1.592 1.986 0.328) 2.567 4.457 ( -1.970 3.408 0.670) 3.993 4.526 ( -1.668 -0.696 -2.775) 3.311 4.639 ( 0.184 0.283 -0.966) 1.023 4.714 ( -1.852 0.846 1.401) 2.471 4.897 ( -0.648 -3.827 0.077) 3.883 4.949 ( -0.803 -4.070 -0.251) 4.156 5.531 ( 0.432 0.840 0.244) 0.975 5.543 ( 0.076 0.691 -0.067) 0.698 6.392 ( -2.338 1.862 1.304) 3.261 6.513 ( -3.572 2.061 -0.833) 4.207 6.722 ( 1.919 -1.056 0.432) 2.233 6.856 ( 0.057 -1.306 -1.129) 1.728 7.047 ( 1.756 -0.721 1.049) 2.169 7.137 ( 0.834 -1.419 -1.092) 1.975 ======================= Grid point 154 (71/75) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.879 1.233 -1.203) 1.934 0.853 ( -1.586 2.374 0.029) 2.855 0.968 ( 3.582 2.620 -0.316) 4.449 1.010 ( -1.130 1.916 0.229) 2.236 1.070 ( 2.405 2.839 1.089) 3.877 1.123 ( -1.603 2.107 -0.520) 2.698 1.258 ( 0.352 5.272 -0.608) 5.319 1.286 ( -2.637 4.634 -0.206) 5.336 1.458 ( 0.642 0.247 1.565) 1.709 1.493 ( -1.056 -1.408 -1.580) 2.365 1.588 ( 1.760 3.060 0.636) 3.587 1.629 ( -1.990 0.392 -0.145) 2.033 1.771 ( 1.975 1.838 0.791) 2.811 1.811 ( -0.503 0.920 -0.658) 1.238 1.869 ( 1.919 -0.236 -1.234) 2.294 1.904 ( 0.321 -2.424 2.375) 3.409 1.920 ( -1.250 -1.554 0.206) 2.005 1.944 ( -1.117 0.505 -1.368) 1.837 2.032 ( 2.324 -3.529 0.204) 4.231 2.078 ( -1.437 -3.356 -1.151) 3.828 2.165 ( 0.443 -5.396 3.970) 6.714 2.180 ( 1.649 -4.933 -3.245) 6.131 2.275 ( 1.159 -1.814 -0.266) 2.169 2.338 ( -4.209 -0.642 -0.014) 4.258 2.463 ( -0.834 -1.395 3.429) 3.795 2.478 ( 0.422 -1.084 -3.123) 3.333 2.750 ( 4.938 -2.024 2.231) 5.784 2.795 ( 1.095 -2.958 0.528) 3.198 2.844 ( 4.828 2.004 1.781) 5.523 2.939 ( -1.660 1.113 -1.259) 2.362 2.981 ( -0.475 -1.332 -3.362) 3.647 3.000 ( -4.492 2.061 1.061) 5.055 3.206 ( 1.272 3.113 3.449) 4.818 3.255 ( -0.969 0.436 -3.146) 3.321 3.488 ( 1.044 1.899 -1.041) 2.405 3.517 ( -2.296 0.803 0.854) 2.578 3.783 ( 0.276 -0.617 0.640) 0.930 3.807 ( -1.132 -2.244 -1.654) 3.008 4.197 ( 1.986 -2.001 3.641) 4.605 4.269 ( -1.818 -0.504 -2.340) 3.006 4.442 ( 0.899 3.769 -0.317) 3.887 4.475 ( -1.943 2.150 -0.740) 2.992 4.649 ( 1.422 0.418 -0.519) 1.571 4.681 ( -2.271 0.901 0.692) 2.539 4.900 ( 0.676 -4.938 0.534) 5.012 4.925 ( -1.209 -4.891 -0.590) 5.072 5.539 ( 0.222 0.831 0.178) 0.879 5.543 ( -0.023 0.812 -0.120) 0.821 6.386 ( 0.213 1.926 2.214) 2.942 6.434 ( -2.698 1.916 -2.365) 4.067 6.776 ( 2.468 -0.550 1.508) 2.944 6.829 ( -1.626 -0.537 -1.392) 2.207 7.094 ( 1.620 -1.262 1.634) 2.624 7.129 ( -0.419 -1.382 -1.753) 2.271 ======================= Grid point 158 (72/75) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -1.086 1.574 -1.432) 2.389 0.904 ( 1.086 1.574 1.432) 2.389 0.980 ( -1.281 1.888 -0.266) 2.297 0.980 ( 1.281 1.888 0.266) 2.297 1.104 ( 0.146 1.855 -1.096) 2.160 1.104 ( -0.146 1.855 1.096) 2.160 1.334 ( -1.701 0.327 -3.992) 4.352 1.334 ( 1.701 0.327 3.992) 4.352 1.593 ( -0.406 2.452 -3.396) 4.208 1.593 ( 0.406 2.452 3.396) 4.208 1.699 ( 1.384 1.237 -2.344) 2.990 1.699 ( -1.384 1.237 2.344) 2.990 1.768 ( -1.759 1.554 -1.213) 2.642 1.768 ( 1.759 1.554 1.213) 2.642 1.850 ( 2.464 0.054 -2.721) 3.671 1.850 ( -2.464 0.054 2.721) 3.671 1.896 ( -0.486 -2.517 -2.466) 3.557 1.896 ( 0.486 -2.517 2.466) 3.557 1.990 ( -1.172 -1.179 -2.111) 2.687 1.990 ( 1.172 -1.179 2.111) 2.687 2.040 ( -1.109 -2.305 -1.925) 3.201 2.040 ( 1.109 -2.305 1.925) 3.201 2.401 ( -0.516 0.326 -3.269) 3.325 2.401 ( 0.516 0.326 3.269) 3.325 2.509 ( 0.364 3.162 -1.976) 3.746 2.509 ( -0.364 3.162 1.976) 3.746 2.588 ( -1.250 -2.803 -2.290) 3.829 2.588 ( 1.250 -2.803 2.290) 3.829 2.820 ( -2.494 1.686 -1.366) 3.306 2.820 ( 2.494 1.686 1.366) 3.306 2.901 ( 2.424 -2.945 -3.416) 5.120 2.901 ( -2.424 -2.945 3.416) 5.120 3.349 ( 0.691 1.156 -1.505) 2.020 3.349 ( -0.691 1.156 1.505) 2.020 3.536 ( 1.604 -0.998 -2.910) 3.470 3.536 ( -1.604 -0.998 2.910) 3.470 3.819 ( 0.376 -0.752 -0.522) 0.990 3.819 ( -0.376 -0.752 0.522) 0.990 4.219 ( -2.352 1.190 -2.031) 3.327 4.219 ( 2.352 1.190 2.031) 3.327 4.522 ( 0.551 -0.842 -1.942) 2.188 4.522 ( -0.551 -0.842 1.942) 2.188 4.709 ( 0.048 0.349 -3.200) 3.219 4.709 ( -0.048 0.349 3.200) 3.219 4.910 ( -0.048 -1.003 -0.627) 1.184 4.910 ( 0.048 -1.003 0.627) 1.184 5.539 ( 0.039 0.270 -0.237) 0.361 5.539 ( -0.039 0.270 0.237) 0.361 6.538 ( -2.797 0.644 -1.165) 3.098 6.538 ( 2.797 0.644 1.165) 3.098 6.745 ( -3.078 -0.607 -0.544) 3.184 6.745 ( 3.078 -0.607 0.544) 3.184 7.057 ( -1.104 -0.352 -2.094) 2.393 7.057 ( 1.104 -0.352 2.094) 2.393 ======================= Grid point 160 (73/75) ======================= q-point: ( 0.14 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.301 3.364 -0.093) 3.379 0.926 ( -1.271 1.045 0.252) 1.665 0.966 ( 1.121 1.394 0.405) 1.834 1.007 ( 1.794 -0.046 -0.670) 1.916 1.097 ( 0.286 2.458 -1.422) 2.854 1.109 ( -0.207 0.613 0.391) 0.756 1.292 ( 0.604 1.415 -2.507) 2.941 1.399 ( 1.138 1.784 3.859) 4.401 1.545 ( -1.712 0.293 -3.687) 4.076 1.605 ( -2.474 2.068 1.649) 3.622 1.663 ( -2.804 0.124 2.904) 4.039 1.680 ( -1.900 4.259 0.477) 4.688 1.731 ( -0.012 0.862 -2.537) 2.679 1.791 ( 0.986 -1.902 -2.596) 3.366 1.852 ( -0.243 -0.048 0.856) 0.891 1.887 ( 1.953 0.264 1.345) 2.386 1.898 ( 3.348 0.266 -2.370) 4.111 1.930 ( 0.608 -2.584 -1.107) 2.876 1.960 ( 0.237 0.811 0.276) 0.889 1.997 ( -0.991 -1.366 -1.769) 2.445 2.027 ( 1.050 -3.536 1.104) 3.850 2.066 ( -0.244 -3.081 1.733) 3.543 2.348 ( -2.653 0.038 -2.032) 3.342 2.424 ( -1.112 0.381 3.976) 4.146 2.487 ( -0.867 1.523 0.481) 1.818 2.520 ( -1.042 1.063 -0.723) 1.655 2.562 ( 0.239 -0.480 -0.846) 1.002 2.646 ( 2.918 -2.126 1.665) 3.976 2.743 ( -2.432 2.172 2.139) 3.900 2.870 ( 0.185 -4.190 3.376) 5.384 2.927 ( 5.207 2.625 -2.507) 6.347 2.982 ( 5.114 -3.018 -2.745) 6.542 3.330 ( -1.278 0.377 -1.519) 2.020 3.336 ( -1.655 2.391 1.014) 3.080 3.528 ( -1.711 -1.307 3.127) 3.797 3.535 ( 0.905 -0.062 -3.276) 3.400 3.810 ( -0.482 0.094 0.377) 0.620 3.819 ( -0.164 -1.280 -0.938) 1.595 4.159 ( -2.469 0.277 -0.737) 2.592 4.276 ( 1.632 1.492 1.984) 2.971 4.508 ( -0.233 0.053 -0.648) 0.691 4.531 ( -0.304 -1.020 0.749) 1.302 4.674 ( -0.589 0.639 -3.465) 3.572 4.722 ( -1.120 -0.343 2.377) 2.650 4.888 ( -1.570 -0.523 -0.219) 1.669 4.908 ( -0.862 -1.691 0.229) 1.911 5.538 ( 0.082 0.575 0.159) 0.602 5.545 ( 0.323 -0.006 -0.013) 0.323 6.468 ( -3.544 0.650 0.169) 3.607 6.584 ( -0.222 0.836 1.724) 1.929 6.692 ( -0.812 -0.545 -1.456) 1.754 6.806 ( 2.809 -0.801 -0.313) 2.938 7.027 ( -0.107 -0.125 -1.208) 1.219 7.096 ( 1.219 -0.545 1.137) 1.754 ======================= Grid point 161 (74/75) ======================= q-point: ( 0.29 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -1.758 1.785 -0.300) 2.523 0.921 ( 0.795 1.472 -0.763) 1.839 0.973 ( 0.072 2.560 -0.229) 2.571 1.044 ( 0.709 -0.192 0.665) 0.991 1.097 ( 1.182 2.192 -1.731) 3.033 1.113 ( 1.013 -1.780 0.496) 2.107 1.308 ( 1.920 3.128 -0.868) 3.772 1.432 ( -0.779 5.055 2.567) 5.723 1.461 ( -3.202 -3.268 -3.739) 5.908 1.531 ( -4.592 -1.056 0.318) 4.722 1.651 ( -1.593 2.037 2.487) 3.587 1.674 ( 0.392 6.079 1.273) 6.224 1.728 ( 0.662 -1.465 0.000) 1.608 1.804 ( 2.149 -3.498 -1.167) 4.268 1.848 ( -1.564 -1.195 -3.697) 4.188 1.868 ( 1.478 2.642 -0.206) 3.034 1.950 ( -0.264 0.173 -0.699) 0.767 1.954 ( 2.106 -0.407 -0.404) 2.182 1.983 ( 0.352 1.575 0.932) 1.864 1.995 ( 3.282 -1.493 -0.006) 3.605 2.040 ( -0.653 -5.279 0.426) 5.336 2.069 ( 0.059 -4.237 0.809) 4.314 2.276 ( -3.124 -0.706 -0.776) 3.295 2.431 ( -3.053 0.952 0.590) 3.252 2.444 ( -3.847 -0.149 3.857) 5.449 2.484 ( 0.406 -0.424 -1.223) 1.357 2.602 ( 3.923 -0.895 -0.033) 4.024 2.715 ( 3.452 -0.847 -1.008) 3.695 2.781 ( 1.838 1.798 6.747) 7.221 2.928 ( 2.276 -2.415 2.450) 4.125 2.975 ( 2.534 2.212 -3.762) 5.046 3.025 ( 1.764 -2.683 -2.952) 4.362 3.285 ( -1.656 0.277 -1.560) 2.292 3.305 ( -2.224 2.921 0.229) 3.679 3.520 ( 0.980 0.760 -3.730) 3.930 3.527 ( -1.471 -0.852 3.665) 4.041 3.796 ( -0.764 -1.618 -1.682) 2.456 3.808 ( -0.729 1.051 0.844) 1.532 4.128 ( -0.710 -0.536 1.628) 1.855 4.302 ( -0.298 0.603 0.203) 0.703 4.503 ( 0.880 1.251 -2.209) 2.687 4.528 ( -0.921 0.468 1.879) 2.145 4.641 ( 0.219 0.310 -2.653) 2.680 4.708 ( -2.106 -1.140 1.746) 2.964 4.853 ( -1.719 -0.609 -0.264) 1.843 4.883 ( -1.783 -2.376 0.030) 2.971 5.544 ( 0.322 0.516 0.235) 0.652 5.550 ( 0.251 0.080 -0.059) 0.269 6.417 ( -2.204 0.717 1.224) 2.620 6.540 ( -3.740 0.719 -0.974) 3.932 6.710 ( 2.289 -0.270 0.777) 2.432 6.837 ( 0.879 -0.532 -1.024) 1.450 7.038 ( 1.550 -0.233 0.224) 1.583 7.116 ( 0.462 -0.613 -0.263) 0.812 ======================= Grid point 162 (75/75) ======================= q-point: ( 0.43 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.633 1.060 -0.649) 1.395 0.889 ( -2.463 1.081 -0.525) 2.741 1.000 ( 2.114 0.534 -0.212) 2.190 1.034 ( -1.748 0.788 0.716) 2.046 1.114 ( 1.359 1.460 0.338) 2.023 1.137 ( 0.431 -0.209 -1.099) 1.199 1.333 ( 1.806 3.612 -1.218) 4.218 1.375 ( -2.940 1.929 -0.882) 3.625 1.439 ( 0.121 -1.673 1.536) 2.274 1.470 ( -2.138 -0.465 -0.124) 2.191 1.655 ( -0.256 2.655 3.010) 4.022 1.679 ( 0.049 5.719 -1.883) 6.021 1.749 ( 0.189 -3.184 2.695) 4.175 1.784 ( -0.982 -4.052 -3.506) 5.447 1.859 ( 2.883 -0.388 0.073) 2.910 1.888 ( 0.223 0.978 -0.178) 1.019 1.949 ( 0.593 0.555 0.092) 0.817 1.965 ( -0.712 0.658 0.061) 0.972 1.988 ( 0.777 2.180 -0.611) 2.393 2.011 ( -1.563 -1.703 0.118) 2.314 2.063 ( 1.211 -4.967 1.860) 5.440 2.079 ( 0.777 -5.262 -1.361) 5.490 2.249 ( 1.399 -0.730 0.278) 1.602 2.325 ( -5.274 -0.509 -0.478) 5.320 2.459 ( -0.792 0.687 4.395) 4.518 2.478 ( 0.669 0.273 -3.018) 3.104 2.688 ( 4.210 -2.314 0.665) 4.849 2.744 ( -0.409 -1.976 -0.599) 2.105 2.886 ( 2.759 1.554 6.113) 6.884 2.960 ( 0.831 0.273 -5.085) 5.160 2.979 ( 1.022 1.305 -0.207) 1.670 3.007 ( -1.836 -1.014 0.145) 2.102 3.254 ( -0.482 0.692 -0.350) 0.913 3.265 ( -1.318 1.195 -0.732) 1.924 3.517 ( 1.938 0.838 -3.495) 4.083 3.527 ( -1.918 0.242 3.484) 3.985 3.775 ( 0.551 -0.922 -1.571) 1.903 3.791 ( -1.726 0.758 0.959) 2.115 4.169 ( 2.471 -0.758 3.552) 4.393 4.256 ( -3.041 -0.544 -2.805) 4.173 4.510 ( 2.028 2.845 -2.563) 4.333 4.525 ( -1.566 1.983 2.457) 3.524 4.645 ( 1.938 -0.436 -1.574) 2.535 4.677 ( -2.508 -1.222 1.470) 3.154 4.831 ( -0.124 -1.734 -0.121) 1.742 4.848 ( -1.651 -2.623 -0.116) 3.102 5.551 ( 0.165 0.360 0.143) 0.421 5.553 ( 0.068 0.248 -0.088) 0.272 6.412 ( 0.294 0.756 2.064) 2.217 6.461 ( -2.711 0.731 -2.224) 3.582 6.769 ( 2.359 -0.167 1.964) 3.074 6.821 ( -1.213 -0.233 -1.754) 2.146 7.077 ( 1.602 -0.472 1.117) 2.010 7.109 ( -0.592 -0.578 -1.177) 1.439 =================== 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 3/13608 10.0 27.940 40.413 20.038 0.000 1.475 0.000 3/13608 20.0 4.781 6.925 4.270 0.000 0.081 0.000 3/13608 30.0 2.046 3.029 1.932 0.000 0.004 0.000 3/13608 40.0 1.258 1.878 1.215 0.000 -0.009 0.000 3/13608 50.0 0.910 1.362 0.889 0.000 -0.012 0.000 3/13608 60.0 0.718 1.074 0.705 0.000 -0.012 0.000 3/13608 70.0 0.597 0.891 0.588 0.000 -0.011 0.000 3/13608 80.0 0.514 0.764 0.507 0.000 -0.010 0.000 3/13608 90.0 0.453 0.671 0.447 0.000 -0.009 0.000 3/13608 100.0 0.407 0.599 0.401 0.000 -0.009 0.000 3/13608 110.0 0.370 0.542 0.364 0.000 -0.008 0.000 3/13608 120.0 0.339 0.495 0.333 0.000 -0.007 0.000 3/13608 130.0 0.314 0.456 0.308 0.000 -0.007 0.000 3/13608 140.0 0.292 0.423 0.287 0.000 -0.006 0.000 3/13608 150.0 0.274 0.394 0.268 0.000 -0.006 0.000 3/13608 160.0 0.257 0.370 0.252 0.000 -0.006 0.000 3/13608 170.0 0.243 0.348 0.237 0.000 -0.005 0.000 3/13608 180.0 0.230 0.329 0.225 0.000 -0.005 0.000 3/13608 190.0 0.219 0.312 0.213 0.000 -0.005 0.000 3/13608 200.0 0.209 0.296 0.203 0.000 -0.004 0.000 3/13608 210.0 0.199 0.282 0.194 0.000 -0.004 0.000 3/13608 220.0 0.191 0.269 0.185 0.000 -0.004 0.000 3/13608 230.0 0.183 0.258 0.178 0.000 -0.004 0.000 3/13608 240.0 0.176 0.247 0.171 0.000 -0.004 0.000 3/13608 250.0 0.169 0.238 0.164 0.000 -0.004 0.000 3/13608 260.0 0.163 0.229 0.158 0.000 -0.003 0.000 3/13608 270.0 0.157 0.220 0.152 0.000 -0.003 0.000 3/13608 280.0 0.152 0.212 0.147 0.000 -0.003 0.000 3/13608 290.0 0.147 0.205 0.142 0.000 -0.003 0.000 3/13608 300.0 0.142 0.198 0.138 0.000 -0.003 0.000 3/13608 310.0 0.138 0.192 0.133 0.000 -0.003 0.000 3/13608 320.0 0.134 0.186 0.129 0.000 -0.003 0.000 3/13608 330.0 0.130 0.181 0.126 0.000 -0.003 0.000 3/13608 340.0 0.126 0.175 0.122 0.000 -0.003 0.000 3/13608 350.0 0.123 0.170 0.119 0.000 -0.003 0.000 3/13608 360.0 0.119 0.166 0.115 0.000 -0.003 0.000 3/13608 370.0 0.116 0.161 0.112 0.000 -0.002 0.000 3/13608 380.0 0.113 0.157 0.110 0.000 -0.002 0.000 3/13608 390.0 0.111 0.153 0.107 0.000 -0.002 0.000 3/13608 400.0 0.108 0.149 0.104 0.000 -0.002 0.000 3/13608 410.0 0.106 0.146 0.102 0.000 -0.002 0.000 3/13608 420.0 0.103 0.142 0.099 0.000 -0.002 0.000 3/13608 430.0 0.101 0.139 0.097 0.000 -0.002 0.000 3/13608 440.0 0.099 0.136 0.095 0.000 -0.002 0.000 3/13608 450.0 0.096 0.133 0.093 0.000 -0.002 0.000 3/13608 460.0 0.094 0.130 0.091 0.000 -0.002 0.000 3/13608 470.0 0.093 0.127 0.089 0.000 -0.002 0.000 3/13608 480.0 0.091 0.125 0.087 0.000 -0.002 0.000 3/13608 490.0 0.089 0.122 0.086 0.000 -0.002 0.000 3/13608 500.0 0.087 0.120 0.084 0.000 -0.002 0.000 3/13608 510.0 0.086 0.118 0.082 0.000 -0.002 0.000 3/13608 520.0 0.084 0.115 0.081 0.000 -0.002 0.000 3/13608 530.0 0.082 0.113 0.079 0.000 -0.002 0.000 3/13608 540.0 0.081 0.111 0.078 0.000 -0.002 0.000 3/13608 550.0 0.080 0.109 0.077 0.000 -0.002 0.000 3/13608 560.0 0.078 0.107 0.075 0.000 -0.002 0.000 3/13608 570.0 0.077 0.105 0.074 0.000 -0.002 0.000 3/13608 580.0 0.076 0.104 0.073 0.000 -0.002 0.000 3/13608 590.0 0.074 0.102 0.071 0.000 -0.002 0.000 3/13608 600.0 0.073 0.100 0.070 0.000 -0.002 0.000 3/13608 610.0 0.072 0.099 0.069 0.000 -0.002 0.000 3/13608 620.0 0.071 0.097 0.068 0.000 -0.001 0.000 3/13608 630.0 0.070 0.095 0.067 0.000 -0.001 0.000 3/13608 640.0 0.069 0.094 0.066 0.000 -0.001 0.000 3/13608 650.0 0.068 0.093 0.065 0.000 -0.001 0.000 3/13608 660.0 0.067 0.091 0.064 0.000 -0.001 0.000 3/13608 670.0 0.066 0.090 0.063 0.000 -0.001 0.000 3/13608 680.0 0.065 0.089 0.062 0.000 -0.001 0.000 3/13608 690.0 0.064 0.087 0.061 0.000 -0.001 0.000 3/13608 700.0 0.063 0.086 0.061 0.000 -0.001 0.000 3/13608 710.0 0.062 0.085 0.060 0.000 -0.001 0.000 3/13608 720.0 0.061 0.084 0.059 0.000 -0.001 0.000 3/13608 730.0 0.060 0.083 0.058 0.000 -0.001 0.000 3/13608 740.0 0.060 0.081 0.057 0.000 -0.001 0.000 3/13608 750.0 0.059 0.080 0.057 0.000 -0.001 0.000 3/13608 760.0 0.058 0.079 0.056 0.000 -0.001 0.000 3/13608 770.0 0.057 0.078 0.055 0.000 -0.001 0.000 3/13608 780.0 0.057 0.077 0.054 0.000 -0.001 0.000 3/13608 790.0 0.056 0.076 0.054 0.000 -0.001 0.000 3/13608 800.0 0.055 0.075 0.053 0.000 -0.001 0.000 3/13608 810.0 0.055 0.074 0.052 0.000 -0.001 0.000 3/13608 820.0 0.054 0.074 0.052 0.000 -0.001 0.000 3/13608 830.0 0.053 0.073 0.051 0.000 -0.001 0.000 3/13608 840.0 0.053 0.072 0.051 0.000 -0.001 0.000 3/13608 850.0 0.052 0.071 0.050 0.000 -0.001 0.000 3/13608 860.0 0.052 0.070 0.049 0.000 -0.001 0.000 3/13608 870.0 0.051 0.069 0.049 0.000 -0.001 0.000 3/13608 880.0 0.050 0.069 0.048 0.000 -0.001 0.000 3/13608 890.0 0.050 0.068 0.048 0.000 -0.001 0.000 3/13608 900.0 0.049 0.067 0.047 0.000 -0.001 0.000 3/13608 910.0 0.049 0.066 0.047 0.000 -0.001 0.000 3/13608 920.0 0.048 0.066 0.046 0.000 -0.001 0.000 3/13608 930.0 0.048 0.065 0.046 0.000 -0.001 0.000 3/13608 940.0 0.047 0.064 0.045 0.000 -0.001 0.000 3/13608 950.0 0.047 0.064 0.045 0.000 -0.001 0.000 3/13608 960.0 0.046 0.063 0.044 0.000 -0.001 0.000 3/13608 970.0 0.046 0.062 0.044 0.000 -0.001 0.000 3/13608 980.0 0.045 0.062 0.044 0.000 -0.001 0.000 3/13608 990.0 0.045 0.061 0.043 0.000 -0.001 0.000 3/13608 1000.0 0.044 0.060 0.043 0.000 -0.001 0.000 3/13608 Thermal conductivity related properties were written into "kappa-m794.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:09:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|