----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:40:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.423772400205238 0.000000000000000 0.000000000000000 b 0.000000000000000 6.278744800000000 0.000000000000000 c -2.009928408441020 0.000000000000000 9.208652647149847 Atomic positions (fractional): *1 K 0.32412540615357 0.98093742415298 0.86363106840014 39.098 2 K 0.67587459384643 0.48093742415298 0.13636893159986 39.098 *3 Cu 0.02624715515465 0.80760848462773 0.47240303404926 63.546 *4 Cu 0.70651593160193 0.61290949790327 0.54935917644146 63.546 5 Cu 0.97375284484534 0.30760848462773 0.52759696595074 63.546 6 Cu 0.29348406839807 0.11290949790327 0.45064082355854 63.546 *7 Cu 0.36091474443329 0.46680652091849 0.60866474018952 63.546 8 Cu 0.63908525556671 0.96680652091849 0.39133525981048 63.546 *9 Cu 0.07610074555749 0.09619941475487 0.12638889376714 63.546 10 Cu 0.92389925444251 0.59619941475487 0.87361110623286 63.546 *11 As 0.19785145424424 0.62270272630393 0.26085412305582 74.922 12 As 0.80214854575576 0.12270272630393 0.73914587694418 74.922 *13 S 0.05997049063039 0.59472224558901 0.66027017272780 32.065 *14 S 0.15303635407342 0.42190781468139 0.05296705385322 32.065 15 S 0.94002950936961 0.09472224558901 0.33972982727220 32.065 *16 S 0.38701343829274 0.89062317599104 0.19402374462284 32.065 17 S 0.84696364592658 0.92190781468139 0.94703294614678 32.065 *18 S 0.46471993205167 0.41348271507728 0.39662133710476 32.065 19 S 0.61298656170726 0.39062317599104 0.80597625537716 32.065 20 S 0.53528006794834 0.91348271507728 0.60337866289524 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.423772400205238 0.000000000000000 0.000000000000000 b 0.000000000000000 6.278744800000000 0.000000000000000 c -2.009928408441020 0.000000000000000 9.208652647149847 Atomic positions (fractional): *1 K 0.32412540615357 0.98093742415298 0.86363106840014 39.098 > 1 2 K 0.67587459384643 0.48093742415298 0.13636893159986 39.098 > 2 *3 Cu 0.02624715515465 0.80760848462773 0.47240303404926 63.546 > 3 *4 Cu 0.70651593160193 0.61290949790327 0.54935917644146 63.546 > 4 5 Cu 0.97375284484534 0.30760848462773 0.52759696595074 63.546 > 5 6 Cu 0.29348406839807 0.11290949790327 0.45064082355854 63.546 > 6 *7 Cu 0.36091474443329 0.46680652091849 0.60866474018952 63.546 > 7 8 Cu 0.63908525556671 0.96680652091849 0.39133525981048 63.546 > 8 *9 Cu 0.07610074555749 0.09619941475487 0.12638889376714 63.546 > 9 10 Cu 0.92389925444251 0.59619941475487 0.87361110623286 63.546 > 10 *11 As 0.19785145424424 0.62270272630393 0.26085412305582 74.922 > 11 12 As 0.80214854575576 0.12270272630393 0.73914587694418 74.922 > 12 *13 S 0.05997049063039 0.59472224558901 0.66027017272780 32.065 > 13 *14 S 0.15303635407342 0.42190781468139 0.05296705385322 32.065 > 14 15 S 0.94002950936961 0.09472224558901 0.33972982727220 32.065 > 15 *16 S 0.38701343829274 0.89062317599104 0.19402374462284 32.065 > 16 17 S 0.84696364592658 0.92190781468139 0.94703294614678 32.065 > 17 *18 S 0.46471993205167 0.41348271507728 0.39662133710476 32.065 > 18 19 S 0.61298656170726 0.39062317599104 0.80597625537716 32.065 > 19 20 S 0.53528006794834 0.91348271507728 0.60337866289524 32.065 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.847544800410477 0.000000000000000 0.000000000000000 b 0.000000000000000 12.557489600000000 0.000000000000000 c -2.009928408441020 0.000000000000000 9.208652647149847 Atomic positions (fractional): *1 K 0.16206270307678 0.49046871207649 0.86363106840014 39.098 > 1 2 K 0.66206270307678 0.49046871207649 0.86363106840014 39.098 > 1 3 K 0.16206270307678 0.99046871207649 0.86363106840014 39.098 > 1 4 K 0.66206270307678 0.99046871207649 0.86363106840014 39.098 > 1 5 K 0.33793729692322 0.24046871207649 0.13636893159986 39.098 > 2 6 K 0.83793729692322 0.24046871207649 0.13636893159986 39.098 > 2 7 K 0.33793729692322 0.74046871207649 0.13636893159986 39.098 > 2 8 K 0.83793729692322 0.74046871207649 0.13636893159986 39.098 > 2 *9 Cu 0.01312357757733 0.40380424231387 0.47240303404926 63.546 > 3 10 Cu 0.51312357757733 0.40380424231387 0.47240303404926 63.546 > 3 11 Cu 0.01312357757733 0.90380424231387 0.47240303404926 63.546 > 3 12 Cu 0.51312357757733 0.90380424231387 0.47240303404926 63.546 > 3 *13 Cu 0.35325796580097 0.30645474895163 0.54935917644146 63.546 > 4 14 Cu 0.85325796580097 0.30645474895163 0.54935917644146 63.546 > 4 15 Cu 0.35325796580097 0.80645474895163 0.54935917644146 63.546 > 4 16 Cu 0.85325796580097 0.80645474895163 0.54935917644146 63.546 > 4 17 Cu 0.48687642242267 0.15380424231387 0.52759696595074 63.546 > 5 18 Cu 0.98687642242267 0.15380424231387 0.52759696595074 63.546 > 5 19 Cu 0.48687642242267 0.65380424231387 0.52759696595074 63.546 > 5 20 Cu 0.98687642242267 0.65380424231387 0.52759696595074 63.546 > 5 21 Cu 0.14674203419903 0.05645474895163 0.45064082355854 63.546 > 6 22 Cu 0.64674203419903 0.05645474895163 0.45064082355854 63.546 > 6 23 Cu 0.14674203419903 0.55645474895163 0.45064082355854 63.546 > 6 24 Cu 0.64674203419903 0.55645474895163 0.45064082355854 63.546 > 6 *25 Cu 0.18045737221664 0.23340326045925 0.60866474018952 63.546 > 7 26 Cu 0.68045737221664 0.23340326045925 0.60866474018952 63.546 > 7 27 Cu 0.18045737221664 0.73340326045925 0.60866474018952 63.546 > 7 28 Cu 0.68045737221664 0.73340326045925 0.60866474018952 63.546 > 7 29 Cu 0.31954262778336 0.48340326045925 0.39133525981048 63.546 > 8 30 Cu 0.81954262778336 0.48340326045925 0.39133525981048 63.546 > 8 31 Cu 0.31954262778336 0.98340326045925 0.39133525981048 63.546 > 8 32 Cu 0.81954262778336 0.98340326045925 0.39133525981048 63.546 > 8 *33 Cu 0.03805037277874 0.04809970737743 0.12638889376714 63.546 > 9 34 Cu 0.53805037277874 0.04809970737743 0.12638889376714 63.546 > 9 35 Cu 0.03805037277874 0.54809970737743 0.12638889376714 63.546 > 9 36 Cu 0.53805037277874 0.54809970737743 0.12638889376714 63.546 > 9 37 Cu 0.46194962722126 0.29809970737744 0.87361110623286 63.546 > 10 38 Cu 0.96194962722126 0.29809970737744 0.87361110623286 63.546 > 10 39 Cu 0.46194962722126 0.79809970737743 0.87361110623286 63.546 > 10 40 Cu 0.96194962722126 0.79809970737743 0.87361110623286 63.546 > 10 *41 As 0.09892572712212 0.31135136315197 0.26085412305582 74.922 > 11 42 As 0.59892572712212 0.31135136315197 0.26085412305582 74.922 > 11 43 As 0.09892572712212 0.81135136315197 0.26085412305582 74.922 > 11 44 As 0.59892572712212 0.81135136315197 0.26085412305582 74.922 > 11 45 As 0.40107427287788 0.06135136315197 0.73914587694418 74.922 > 12 46 As 0.90107427287788 0.06135136315197 0.73914587694418 74.922 > 12 47 As 0.40107427287788 0.56135136315197 0.73914587694418 74.922 > 12 48 As 0.90107427287788 0.56135136315197 0.73914587694418 74.922 > 12 *49 S 0.02998524531519 0.29736112279451 0.66027017272780 32.065 > 13 50 S 0.52998524531519 0.29736112279451 0.66027017272780 32.065 > 13 51 S 0.02998524531519 0.79736112279451 0.66027017272780 32.065 > 13 52 S 0.52998524531519 0.79736112279451 0.66027017272780 32.065 > 13 *53 S 0.07651817703671 0.21095390734069 0.05296705385322 32.065 > 14 54 S 0.57651817703671 0.21095390734069 0.05296705385322 32.065 > 14 55 S 0.07651817703671 0.71095390734069 0.05296705385322 32.065 > 14 56 S 0.57651817703671 0.71095390734069 0.05296705385322 32.065 > 14 57 S 0.47001475468481 0.04736112279451 0.33972982727220 32.065 > 15 58 S 0.97001475468481 0.04736112279451 0.33972982727220 32.065 > 15 59 S 0.47001475468481 0.54736112279451 0.33972982727220 32.065 > 15 60 S 0.97001475468481 0.54736112279451 0.33972982727220 32.065 > 15 *61 S 0.19350671914637 0.44531158799552 0.19402374462284 32.065 > 16 62 S 0.69350671914637 0.44531158799552 0.19402374462284 32.065 > 16 63 S 0.19350671914637 0.94531158799552 0.19402374462284 32.065 > 16 64 S 0.69350671914637 0.94531158799552 0.19402374462284 32.065 > 16 65 S 0.42348182296329 0.46095390734069 0.94703294614678 32.065 > 17 66 S 0.92348182296329 0.46095390734069 0.94703294614678 32.065 > 17 67 S 0.42348182296329 0.96095390734069 0.94703294614678 32.065 > 17 68 S 0.92348182296329 0.96095390734069 0.94703294614678 32.065 > 17 *69 S 0.23235996602583 0.20674135753864 0.39662133710476 32.065 > 18 70 S 0.73235996602583 0.20674135753864 0.39662133710476 32.065 > 18 71 S 0.23235996602583 0.70674135753864 0.39662133710476 32.065 > 18 72 S 0.73235996602583 0.70674135753864 0.39662133710476 32.065 > 18 73 S 0.30649328085363 0.19531158799552 0.80597625537716 32.065 > 19 74 S 0.80649328085363 0.19531158799552 0.80597625537716 32.065 > 19 75 S 0.30649328085363 0.69531158799552 0.80597625537716 32.065 > 19 76 S 0.80649328085363 0.69531158799552 0.80597625537716 32.065 > 19 77 S 0.26764003397417 0.45674135753864 0.60337866289524 32.065 > 20 78 S 0.76764003397417 0.45674135753864 0.60337866289524 32.065 > 20 79 S 0.26764003397417 0.95674135753864 0.60337866289524 32.065 > 20 80 S 0.76764003397417 0.95674135753864 0.60337866289524 32.065 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6576690 0.0000000 0.6965678 0.0000000 9.6800919 0.0000000 0.6964654 0.0000000 9.0844085 -------------------------- Born effective charges -------------------------- 1 K 1.4996575 0.0543127 -0.1916481 0.0572699 1.2098475 0.0103923 -0.1977463 0.0569853 1.4812350 2 K 1.4996575 -0.0543127 -0.1916481 -0.0572699 1.2098475 -0.0103923 -0.1977463 -0.0569853 1.4812350 3 Cu 0.4965158 -0.0671349 -0.2157847 -0.0233715 0.7735013 -0.2876732 -0.0970001 -0.1799666 0.4003800 4 Cu 0.6531130 0.1571603 0.1582550 0.2332510 0.5402120 -0.2366202 0.0764420 0.0672243 0.4536802 5 Cu 0.4965158 0.0671349 -0.2157847 0.0233715 0.7735013 0.2876732 -0.0970001 0.1799666 0.4003800 6 Cu 0.6531130 -0.1571603 0.1582550 -0.2332510 0.5402120 0.2366202 0.0764420 -0.0672243 0.4536802 7 Cu 0.7308306 -0.0647552 0.0053516 -0.1394781 0.4340661 0.0532277 0.1484735 0.0992029 0.3273834 8 Cu 0.7308306 0.0647552 0.0053516 0.1394781 0.4340661 -0.0532277 0.1484735 -0.0992029 0.3273834 9 Cu 0.5603227 -0.0096624 -0.0082295 -0.0142415 0.2358291 0.0607019 -0.0120978 -0.0773036 0.7049463 10 Cu 0.5603227 0.0096624 -0.0082295 0.0142415 0.2358291 -0.0607019 -0.0120978 0.0773036 0.7049463 11 As 0.7338087 0.1392164 0.2751226 0.1408965 3.0285588 -0.2225233 0.0927022 0.4960731 2.5952859 12 As 0.7338087 -0.1392164 0.2751226 -0.1408965 3.0285588 0.2225233 0.0927022 -0.4960731 2.5952859 13 S -0.8850514 -0.1646613 -0.0922387 -0.1161693 -1.1071311 0.0030094 -0.0760594 0.1173930 -0.9102506 14 S -0.8839209 -0.0205280 -0.1465661 0.3675743 -1.4463435 -0.8573392 0.4974411 -1.1022581 -2.5629275 15 S -0.8850514 0.1646613 -0.0922387 0.1161693 -1.1071311 -0.0030094 -0.0760594 -0.1173930 -0.9102506 16 S -1.4433464 -0.1631939 0.3084478 -0.8399978 -2.1264675 0.2397401 -0.0246446 -0.0225948 -1.3164753 17 S -0.8839209 0.0205280 -0.1465661 -0.3675743 -1.4463435 0.8573392 0.4974411 1.1022581 -2.5629275 18 S -1.4619296 0.2629608 -0.0927098 0.5680616 -1.5420725 0.5652257 -0.4075107 0.2792538 -1.1732574 19 S -1.4433464 0.1631939 0.3084478 0.8399978 -2.1264675 -0.2397401 -0.0246446 0.0225948 -1.3164753 20 S -1.4619296 -0.2629608 -0.0927098 -0.5680616 -1.5420725 -0.5652257 -0.4075107 -0.2792538 -1.1732574 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3660 Number of blocks in projector: 3660 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3660, 3571), data: False |-- (420, 410), data: True |-- (420, 410), data: True |-- (420, 410), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.840 Solver_block: 200 / 1200 - Time: 0.879 Solver_block: 300 / 1200 - Time: 1.033 Solver_block: 400 / 1200 - Time: 1.122 Solver_block: 500 / 1200 - Time: 0.658 Solver_block: 600 / 1200 - Time: 0.638 Solver_block: 700 / 1200 - Time: 0.904 Solver_block: 800 / 1200 - Time: 0.700 Solver_block: 900 / 1200 - Time: 0.621 Solver_block: 1000 / 1200 - Time: 0.898 Solver_block: 1100 / 1200 - Time: 0.751 Solver_block: 1200 / 1200 - Time: 0.621 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.138 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3660 Number of blocks in projector: 3660 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3660, 3571), data: False |-- (420, 410), data: True |-- (420, 410), data: True |-- (420, 410), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:41:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:41:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.423772400205238 0.000000000000000 0.000000000000000 b 0.000000000000000 6.278744800000000 0.000000000000000 c -2.009928408441020 0.000000000000000 9.208652647149847 Atomic positions (fractional): 1 K 0.32412540615357 0.98093742415298 0.86363106840014 39.098 2 K 0.67587459384643 0.48093742415298 0.13636893159986 39.098 3 Cu 0.02624715515465 0.80760848462773 0.47240303404926 63.546 4 Cu 0.70651593160193 0.61290949790327 0.54935917644146 63.546 5 Cu 0.97375284484534 0.30760848462773 0.52759696595074 63.546 6 Cu 0.29348406839807 0.11290949790327 0.45064082355854 63.546 7 Cu 0.36091474443329 0.46680652091849 0.60866474018952 63.546 8 Cu 0.63908525556671 0.96680652091849 0.39133525981048 63.546 9 Cu 0.07610074555749 0.09619941475487 0.12638889376714 63.546 10 Cu 0.92389925444251 0.59619941475487 0.87361110623286 63.546 11 As 0.19785145424424 0.62270272630393 0.26085412305582 74.922 12 As 0.80214854575576 0.12270272630393 0.73914587694418 74.922 13 S 0.05997049063039 0.59472224558901 0.66027017272780 32.065 14 S 0.15303635407342 0.42190781468139 0.05296705385322 32.065 15 S 0.94002950936961 0.09472224558901 0.33972982727220 32.065 16 S 0.38701343829274 0.89062317599104 0.19402374462284 32.065 17 S 0.84696364592658 0.92190781468139 0.94703294614678 32.065 18 S 0.46471993205167 0.41348271507728 0.39662133710476 32.065 19 S 0.61298656170726 0.39062317599104 0.80597625537716 32.065 20 S 0.53528006794834 0.91348271507728 0.60337866289524 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.847544800410477 0.000000000000000 0.000000000000000 b 0.000000000000000 12.557489600000000 0.000000000000000 c -2.009928408441020 0.000000000000000 9.208652647149847 Atomic positions (fractional): 1 K 0.16206270307678 0.49046871207649 0.86363106840014 39.098 > 1 2 K 0.66206270307678 0.49046871207649 0.86363106840014 39.098 > 1 3 K 0.16206270307678 0.99046871207649 0.86363106840014 39.098 > 1 4 K 0.66206270307678 0.99046871207649 0.86363106840014 39.098 > 1 5 K 0.33793729692322 0.24046871207649 0.13636893159986 39.098 > 5 6 K 0.83793729692322 0.24046871207649 0.13636893159986 39.098 > 5 7 K 0.33793729692322 0.74046871207649 0.13636893159986 39.098 > 5 8 K 0.83793729692322 0.74046871207649 0.13636893159986 39.098 > 5 9 Cu 0.01312357757733 0.40380424231387 0.47240303404926 63.546 > 9 10 Cu 0.51312357757733 0.40380424231387 0.47240303404926 63.546 > 9 11 Cu 0.01312357757733 0.90380424231387 0.47240303404926 63.546 > 9 12 Cu 0.51312357757733 0.90380424231387 0.47240303404926 63.546 > 9 13 Cu 0.35325796580097 0.30645474895163 0.54935917644146 63.546 > 13 14 Cu 0.85325796580097 0.30645474895163 0.54935917644146 63.546 > 13 15 Cu 0.35325796580097 0.80645474895163 0.54935917644146 63.546 > 13 16 Cu 0.85325796580097 0.80645474895163 0.54935917644146 63.546 > 13 17 Cu 0.48687642242267 0.15380424231387 0.52759696595074 63.546 > 17 18 Cu 0.98687642242267 0.15380424231387 0.52759696595074 63.546 > 17 19 Cu 0.48687642242267 0.65380424231387 0.52759696595074 63.546 > 17 20 Cu 0.98687642242267 0.65380424231387 0.52759696595074 63.546 > 17 21 Cu 0.14674203419903 0.05645474895163 0.45064082355854 63.546 > 21 22 Cu 0.64674203419903 0.05645474895163 0.45064082355854 63.546 > 21 23 Cu 0.14674203419903 0.55645474895163 0.45064082355854 63.546 > 21 24 Cu 0.64674203419903 0.55645474895163 0.45064082355854 63.546 > 21 25 Cu 0.18045737221664 0.23340326045925 0.60866474018952 63.546 > 25 26 Cu 0.68045737221664 0.23340326045925 0.60866474018952 63.546 > 25 27 Cu 0.18045737221664 0.73340326045925 0.60866474018952 63.546 > 25 28 Cu 0.68045737221664 0.73340326045925 0.60866474018952 63.546 > 25 29 Cu 0.31954262778336 0.48340326045925 0.39133525981048 63.546 > 29 30 Cu 0.81954262778336 0.48340326045925 0.39133525981048 63.546 > 29 31 Cu 0.31954262778336 0.98340326045925 0.39133525981048 63.546 > 29 32 Cu 0.81954262778336 0.98340326045925 0.39133525981048 63.546 > 29 33 Cu 0.03805037277874 0.04809970737743 0.12638889376714 63.546 > 33 34 Cu 0.53805037277874 0.04809970737743 0.12638889376714 63.546 > 33 35 Cu 0.03805037277874 0.54809970737743 0.12638889376714 63.546 > 33 36 Cu 0.53805037277874 0.54809970737743 0.12638889376714 63.546 > 33 37 Cu 0.46194962722126 0.29809970737744 0.87361110623286 63.546 > 37 38 Cu 0.96194962722126 0.29809970737744 0.87361110623286 63.546 > 37 39 Cu 0.46194962722126 0.79809970737743 0.87361110623286 63.546 > 37 40 Cu 0.96194962722126 0.79809970737743 0.87361110623286 63.546 > 37 41 As 0.09892572712212 0.31135136315197 0.26085412305582 74.922 > 41 42 As 0.59892572712212 0.31135136315197 0.26085412305582 74.922 > 41 43 As 0.09892572712212 0.81135136315197 0.26085412305582 74.922 > 41 44 As 0.59892572712212 0.81135136315197 0.26085412305582 74.922 > 41 45 As 0.40107427287788 0.06135136315197 0.73914587694418 74.922 > 45 46 As 0.90107427287788 0.06135136315197 0.73914587694418 74.922 > 45 47 As 0.40107427287788 0.56135136315197 0.73914587694418 74.922 > 45 48 As 0.90107427287788 0.56135136315197 0.73914587694418 74.922 > 45 49 S 0.02998524531519 0.29736112279451 0.66027017272780 32.065 > 49 50 S 0.52998524531519 0.29736112279451 0.66027017272780 32.065 > 49 51 S 0.02998524531519 0.79736112279451 0.66027017272780 32.065 > 49 52 S 0.52998524531519 0.79736112279451 0.66027017272780 32.065 > 49 53 S 0.07651817703671 0.21095390734069 0.05296705385322 32.065 > 53 54 S 0.57651817703671 0.21095390734069 0.05296705385322 32.065 > 53 55 S 0.07651817703671 0.71095390734069 0.05296705385322 32.065 > 53 56 S 0.57651817703671 0.71095390734069 0.05296705385322 32.065 > 53 57 S 0.47001475468481 0.04736112279451 0.33972982727220 32.065 > 57 58 S 0.97001475468481 0.04736112279451 0.33972982727220 32.065 > 57 59 S 0.47001475468481 0.54736112279451 0.33972982727220 32.065 > 57 60 S 0.97001475468481 0.54736112279451 0.33972982727220 32.065 > 57 61 S 0.19350671914637 0.44531158799552 0.19402374462284 32.065 > 61 62 S 0.69350671914637 0.44531158799552 0.19402374462284 32.065 > 61 63 S 0.19350671914637 0.94531158799552 0.19402374462284 32.065 > 61 64 S 0.69350671914637 0.94531158799552 0.19402374462284 32.065 > 61 65 S 0.42348182296329 0.46095390734069 0.94703294614678 32.065 > 65 66 S 0.92348182296329 0.46095390734069 0.94703294614678 32.065 > 65 67 S 0.42348182296329 0.96095390734069 0.94703294614678 32.065 > 65 68 S 0.92348182296329 0.96095390734069 0.94703294614678 32.065 > 65 69 S 0.23235996602583 0.20674135753864 0.39662133710476 32.065 > 69 70 S 0.73235996602583 0.20674135753864 0.39662133710476 32.065 > 69 71 S 0.23235996602583 0.70674135753864 0.39662133710476 32.065 > 69 72 S 0.73235996602583 0.70674135753864 0.39662133710476 32.065 > 69 73 S 0.30649328085363 0.19531158799552 0.80597625537716 32.065 > 73 74 S 0.80649328085363 0.19531158799552 0.80597625537716 32.065 > 73 75 S 0.30649328085363 0.69531158799552 0.80597625537716 32.065 > 73 76 S 0.80649328085363 0.69531158799552 0.80597625537716 32.065 > 73 77 S 0.26764003397417 0.45674135753864 0.60337866289524 32.065 > 77 78 S 0.76764003397417 0.45674135753864 0.60337866289524 32.065 > 77 79 S 0.26764003397417 0.95674135753864 0.60337866289524 32.065 > 77 80 S 0.76764003397417 0.95674135753864 0.60337866289524 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6576690 0.0000000 0.6965678 0.0000000 9.6800919 0.0000000 0.6964654 0.0000000 9.0844085 -------------------------- Born effective charges -------------------------- 1 K 1.4996575 0.0543127 -0.1916481 0.0572699 1.2098475 0.0103923 -0.1977463 0.0569853 1.4812350 2 K 1.4996575 -0.0543127 -0.1916481 -0.0572699 1.2098475 -0.0103923 -0.1977463 -0.0569853 1.4812350 3 Cu 0.4965158 -0.0671349 -0.2157847 -0.0233715 0.7735013 -0.2876732 -0.0970001 -0.1799666 0.4003800 4 Cu 0.6531130 0.1571603 0.1582550 0.2332510 0.5402120 -0.2366202 0.0764420 0.0672243 0.4536802 5 Cu 0.4965158 0.0671349 -0.2157847 0.0233715 0.7735013 0.2876732 -0.0970001 0.1799666 0.4003800 6 Cu 0.6531130 -0.1571603 0.1582550 -0.2332510 0.5402120 0.2366202 0.0764420 -0.0672243 0.4536802 7 Cu 0.7308306 -0.0647552 0.0053516 -0.1394781 0.4340661 0.0532277 0.1484735 0.0992029 0.3273834 8 Cu 0.7308306 0.0647552 0.0053516 0.1394781 0.4340661 -0.0532277 0.1484735 -0.0992029 0.3273834 9 Cu 0.5603227 -0.0096624 -0.0082295 -0.0142415 0.2358291 0.0607019 -0.0120978 -0.0773036 0.7049463 10 Cu 0.5603227 0.0096624 -0.0082295 0.0142415 0.2358291 -0.0607019 -0.0120978 0.0773036 0.7049463 11 As 0.7338087 0.1392164 0.2751226 0.1408965 3.0285588 -0.2225233 0.0927022 0.4960731 2.5952859 12 As 0.7338087 -0.1392164 0.2751226 -0.1408965 3.0285588 0.2225233 0.0927022 -0.4960731 2.5952859 13 S -0.8850514 -0.1646613 -0.0922387 -0.1161693 -1.1071311 0.0030094 -0.0760594 0.1173930 -0.9102506 14 S -0.8839209 -0.0205280 -0.1465661 0.3675743 -1.4463435 -0.8573392 0.4974411 -1.1022581 -2.5629275 15 S -0.8850514 0.1646613 -0.0922387 0.1161693 -1.1071311 -0.0030094 -0.0760594 -0.1173930 -0.9102506 16 S -1.4433464 -0.1631939 0.3084478 -0.8399978 -2.1264675 0.2397401 -0.0246446 -0.0225948 -1.3164753 17 S -0.8839209 0.0205280 -0.1465661 -0.3675743 -1.4463435 0.8573392 0.4974411 1.1022581 -2.5629275 18 S -1.4619296 0.2629608 -0.0927098 0.5680616 -1.5420725 0.5652257 -0.4075107 0.2792538 -1.1732574 19 S -1.4433464 0.1631939 0.3084478 0.8399978 -2.1264675 -0.2397401 -0.0246446 0.0225948 -1.3164753 20 S -1.4619296 -0.2629608 -0.0927098 -0.5680616 -1.5420725 -0.5652257 -0.4075107 -0.2792538 -1.1732574 ---------------------------------------------------------------------------- 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 9, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 13, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 69, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:41:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:41:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.423772400205238 0.000000000000000 0.000000000000000 b 0.000000000000000 6.278744800000000 0.000000000000000 c -2.009928408441020 0.000000000000000 9.208652647149847 Atomic positions (fractional): 1 K 0.32412540615357 0.98093742415298 0.86363106840014 39.098 2 K 0.67587459384643 0.48093742415298 0.13636893159986 39.098 3 Cu 0.02624715515465 0.80760848462773 0.47240303404926 63.546 4 Cu 0.70651593160193 0.61290949790327 0.54935917644146 63.546 5 Cu 0.97375284484534 0.30760848462773 0.52759696595074 63.546 6 Cu 0.29348406839807 0.11290949790327 0.45064082355854 63.546 7 Cu 0.36091474443329 0.46680652091849 0.60866474018952 63.546 8 Cu 0.63908525556671 0.96680652091849 0.39133525981048 63.546 9 Cu 0.07610074555749 0.09619941475487 0.12638889376714 63.546 10 Cu 0.92389925444251 0.59619941475487 0.87361110623286 63.546 11 As 0.19785145424424 0.62270272630393 0.26085412305582 74.922 12 As 0.80214854575576 0.12270272630393 0.73914587694418 74.922 13 S 0.05997049063039 0.59472224558901 0.66027017272780 32.065 14 S 0.15303635407342 0.42190781468139 0.05296705385322 32.065 15 S 0.94002950936961 0.09472224558901 0.33972982727220 32.065 16 S 0.38701343829274 0.89062317599104 0.19402374462284 32.065 17 S 0.84696364592658 0.92190781468139 0.94703294614678 32.065 18 S 0.46471993205167 0.41348271507728 0.39662133710476 32.065 19 S 0.61298656170726 0.39062317599104 0.80597625537716 32.065 20 S 0.53528006794834 0.91348271507728 0.60337866289524 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.847544800410477 0.000000000000000 0.000000000000000 b 0.000000000000000 12.557489600000000 0.000000000000000 c -2.009928408441020 0.000000000000000 9.208652647149847 Atomic positions (fractional): 1 K 0.16206270307678 0.49046871207649 0.86363106840014 39.098 > 1 2 K 0.66206270307678 0.49046871207649 0.86363106840014 39.098 > 1 3 K 0.16206270307678 0.99046871207649 0.86363106840014 39.098 > 1 4 K 0.66206270307678 0.99046871207649 0.86363106840014 39.098 > 1 5 K 0.33793729692322 0.24046871207649 0.13636893159986 39.098 > 5 6 K 0.83793729692322 0.24046871207649 0.13636893159986 39.098 > 5 7 K 0.33793729692322 0.74046871207649 0.13636893159986 39.098 > 5 8 K 0.83793729692322 0.74046871207649 0.13636893159986 39.098 > 5 9 Cu 0.01312357757733 0.40380424231387 0.47240303404926 63.546 > 9 10 Cu 0.51312357757733 0.40380424231387 0.47240303404926 63.546 > 9 11 Cu 0.01312357757733 0.90380424231387 0.47240303404926 63.546 > 9 12 Cu 0.51312357757733 0.90380424231387 0.47240303404926 63.546 > 9 13 Cu 0.35325796580097 0.30645474895163 0.54935917644146 63.546 > 13 14 Cu 0.85325796580097 0.30645474895163 0.54935917644146 63.546 > 13 15 Cu 0.35325796580097 0.80645474895163 0.54935917644146 63.546 > 13 16 Cu 0.85325796580097 0.80645474895163 0.54935917644146 63.546 > 13 17 Cu 0.48687642242267 0.15380424231387 0.52759696595074 63.546 > 17 18 Cu 0.98687642242267 0.15380424231387 0.52759696595074 63.546 > 17 19 Cu 0.48687642242267 0.65380424231387 0.52759696595074 63.546 > 17 20 Cu 0.98687642242267 0.65380424231387 0.52759696595074 63.546 > 17 21 Cu 0.14674203419903 0.05645474895163 0.45064082355854 63.546 > 21 22 Cu 0.64674203419903 0.05645474895163 0.45064082355854 63.546 > 21 23 Cu 0.14674203419903 0.55645474895163 0.45064082355854 63.546 > 21 24 Cu 0.64674203419903 0.55645474895163 0.45064082355854 63.546 > 21 25 Cu 0.18045737221664 0.23340326045925 0.60866474018952 63.546 > 25 26 Cu 0.68045737221664 0.23340326045925 0.60866474018952 63.546 > 25 27 Cu 0.18045737221664 0.73340326045925 0.60866474018952 63.546 > 25 28 Cu 0.68045737221664 0.73340326045925 0.60866474018952 63.546 > 25 29 Cu 0.31954262778336 0.48340326045925 0.39133525981048 63.546 > 29 30 Cu 0.81954262778336 0.48340326045925 0.39133525981048 63.546 > 29 31 Cu 0.31954262778336 0.98340326045925 0.39133525981048 63.546 > 29 32 Cu 0.81954262778336 0.98340326045925 0.39133525981048 63.546 > 29 33 Cu 0.03805037277874 0.04809970737743 0.12638889376714 63.546 > 33 34 Cu 0.53805037277874 0.04809970737743 0.12638889376714 63.546 > 33 35 Cu 0.03805037277874 0.54809970737743 0.12638889376714 63.546 > 33 36 Cu 0.53805037277874 0.54809970737743 0.12638889376714 63.546 > 33 37 Cu 0.46194962722126 0.29809970737744 0.87361110623286 63.546 > 37 38 Cu 0.96194962722126 0.29809970737744 0.87361110623286 63.546 > 37 39 Cu 0.46194962722126 0.79809970737743 0.87361110623286 63.546 > 37 40 Cu 0.96194962722126 0.79809970737743 0.87361110623286 63.546 > 37 41 As 0.09892572712212 0.31135136315197 0.26085412305582 74.922 > 41 42 As 0.59892572712212 0.31135136315197 0.26085412305582 74.922 > 41 43 As 0.09892572712212 0.81135136315197 0.26085412305582 74.922 > 41 44 As 0.59892572712212 0.81135136315197 0.26085412305582 74.922 > 41 45 As 0.40107427287788 0.06135136315197 0.73914587694418 74.922 > 45 46 As 0.90107427287788 0.06135136315197 0.73914587694418 74.922 > 45 47 As 0.40107427287788 0.56135136315197 0.73914587694418 74.922 > 45 48 As 0.90107427287788 0.56135136315197 0.73914587694418 74.922 > 45 49 S 0.02998524531519 0.29736112279451 0.66027017272780 32.065 > 49 50 S 0.52998524531519 0.29736112279451 0.66027017272780 32.065 > 49 51 S 0.02998524531519 0.79736112279451 0.66027017272780 32.065 > 49 52 S 0.52998524531519 0.79736112279451 0.66027017272780 32.065 > 49 53 S 0.07651817703671 0.21095390734069 0.05296705385322 32.065 > 53 54 S 0.57651817703671 0.21095390734069 0.05296705385322 32.065 > 53 55 S 0.07651817703671 0.71095390734069 0.05296705385322 32.065 > 53 56 S 0.57651817703671 0.71095390734069 0.05296705385322 32.065 > 53 57 S 0.47001475468481 0.04736112279451 0.33972982727220 32.065 > 57 58 S 0.97001475468481 0.04736112279451 0.33972982727220 32.065 > 57 59 S 0.47001475468481 0.54736112279451 0.33972982727220 32.065 > 57 60 S 0.97001475468481 0.54736112279451 0.33972982727220 32.065 > 57 61 S 0.19350671914637 0.44531158799552 0.19402374462284 32.065 > 61 62 S 0.69350671914637 0.44531158799552 0.19402374462284 32.065 > 61 63 S 0.19350671914637 0.94531158799552 0.19402374462284 32.065 > 61 64 S 0.69350671914637 0.94531158799552 0.19402374462284 32.065 > 61 65 S 0.42348182296329 0.46095390734069 0.94703294614678 32.065 > 65 66 S 0.92348182296329 0.46095390734069 0.94703294614678 32.065 > 65 67 S 0.42348182296329 0.96095390734069 0.94703294614678 32.065 > 65 68 S 0.92348182296329 0.96095390734069 0.94703294614678 32.065 > 65 69 S 0.23235996602583 0.20674135753864 0.39662133710476 32.065 > 69 70 S 0.73235996602583 0.20674135753864 0.39662133710476 32.065 > 69 71 S 0.23235996602583 0.70674135753864 0.39662133710476 32.065 > 69 72 S 0.73235996602583 0.70674135753864 0.39662133710476 32.065 > 69 73 S 0.30649328085363 0.19531158799552 0.80597625537716 32.065 > 73 74 S 0.80649328085363 0.19531158799552 0.80597625537716 32.065 > 73 75 S 0.30649328085363 0.69531158799552 0.80597625537716 32.065 > 73 76 S 0.80649328085363 0.69531158799552 0.80597625537716 32.065 > 73 77 S 0.26764003397417 0.45674135753864 0.60337866289524 32.065 > 77 78 S 0.76764003397417 0.45674135753864 0.60337866289524 32.065 > 77 79 S 0.26764003397417 0.95674135753864 0.60337866289524 32.065 > 77 80 S 0.76764003397417 0.95674135753864 0.60337866289524 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.6576690 0.0000000 0.6965678 0.0000000 9.6800919 0.0000000 0.6964654 0.0000000 9.0844085 -------------------------- Born effective charges -------------------------- 1 K 1.4996575 0.0543127 -0.1916481 0.0572699 1.2098475 0.0103923 -0.1977463 0.0569853 1.4812350 2 K 1.4996575 -0.0543127 -0.1916481 -0.0572699 1.2098475 -0.0103923 -0.1977463 -0.0569853 1.4812350 3 Cu 0.4965158 -0.0671349 -0.2157847 -0.0233715 0.7735013 -0.2876732 -0.0970001 -0.1799666 0.4003800 4 Cu 0.6531130 0.1571603 0.1582550 0.2332510 0.5402120 -0.2366202 0.0764420 0.0672243 0.4536802 5 Cu 0.4965158 0.0671349 -0.2157847 0.0233715 0.7735013 0.2876732 -0.0970001 0.1799666 0.4003800 6 Cu 0.6531130 -0.1571603 0.1582550 -0.2332510 0.5402120 0.2366202 0.0764420 -0.0672243 0.4536802 7 Cu 0.7308306 -0.0647552 0.0053516 -0.1394781 0.4340661 0.0532277 0.1484735 0.0992029 0.3273834 8 Cu 0.7308306 0.0647552 0.0053516 0.1394781 0.4340661 -0.0532277 0.1484735 -0.0992029 0.3273834 9 Cu 0.5603227 -0.0096624 -0.0082295 -0.0142415 0.2358291 0.0607019 -0.0120978 -0.0773036 0.7049463 10 Cu 0.5603227 0.0096624 -0.0082295 0.0142415 0.2358291 -0.0607019 -0.0120978 0.0773036 0.7049463 11 As 0.7338087 0.1392164 0.2751226 0.1408965 3.0285588 -0.2225233 0.0927022 0.4960731 2.5952859 12 As 0.7338087 -0.1392164 0.2751226 -0.1408965 3.0285588 0.2225233 0.0927022 -0.4960731 2.5952859 13 S -0.8850514 -0.1646613 -0.0922387 -0.1161693 -1.1071311 0.0030094 -0.0760594 0.1173930 -0.9102506 14 S -0.8839209 -0.0205280 -0.1465661 0.3675743 -1.4463435 -0.8573392 0.4974411 -1.1022581 -2.5629275 15 S -0.8850514 0.1646613 -0.0922387 0.1161693 -1.1071311 -0.0030094 -0.0760594 -0.1173930 -0.9102506 16 S -1.4433464 -0.1631939 0.3084478 -0.8399978 -2.1264675 0.2397401 -0.0246446 -0.0225948 -1.3164753 17 S -0.8839209 0.0205280 -0.1465661 -0.3675743 -1.4463435 0.8573392 0.4974411 1.1022581 -2.5629275 18 S -1.4619296 0.2629608 -0.0927098 0.5680616 -1.5420725 0.5652257 -0.4075107 0.2792538 -1.1732574 19 S -1.4433464 0.1631939 0.3084478 0.8399978 -2.1264675 -0.2397401 -0.0246446 0.0225948 -1.3164753 20 S -1.4619296 -0.2629608 -0.0927098 -0.5680616 -1.5420725 -0.5652257 -0.4075107 -0.2792538 -1.1732574 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] 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: 0.58, Number of G-points: 305, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.212 ( 0.000 0.000 0.000) 0.000 1.365 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 8.909 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.378 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 10.939 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 19.452 0.000 11.479) 22.587 0.446 ( 22.679 0.000 -1.536) 22.731 0.895 ( 40.458 0.000 14.935) 43.127 1.201 ( -0.554 0.000 -1.409) 1.514 1.369 ( -0.469 0.000 -1.734) 1.796 1.420 ( 1.595 0.000 -1.634) 2.284 1.642 ( 0.856 0.000 -3.456) 3.561 1.720 ( -1.406 0.000 -0.478) 1.485 1.983 ( 3.550 0.000 -1.930) 4.041 2.073 ( -2.340 0.000 -1.560) 2.812 2.322 ( -5.512 0.000 0.696) 5.555 2.341 ( -4.393 0.000 -7.022) 8.283 2.444 ( -0.021 0.000 -3.309) 3.310 2.511 ( -1.637 0.000 1.521) 2.234 2.652 ( 0.983 0.000 -0.562) 1.132 2.717 ( -3.145 0.000 3.448) 4.667 2.757 ( -7.720 0.000 3.526) 8.487 2.833 ( 7.656 0.000 1.672) 7.836 2.951 ( 0.504 0.000 0.084) 0.511 2.987 ( 4.315 0.000 0.466) 4.340 3.034 ( 3.549 0.000 1.497) 3.852 3.126 ( 2.591 0.000 0.448) 2.629 3.260 ( 0.966 0.000 0.194) 0.985 3.396 ( -1.447 0.000 0.466) 1.520 3.625 ( -4.358 0.000 -0.062) 4.359 3.769 ( -3.541 0.000 2.687) 4.445 3.811 ( -5.279 0.000 -0.459) 5.299 3.905 ( 0.185 0.000 -1.991) 1.999 3.990 ( 1.245 0.000 -0.578) 1.373 4.153 ( 5.362 0.000 1.929) 5.698 4.272 ( 1.756 0.000 -1.075) 2.059 4.485 ( -2.890 0.000 0.542) 2.940 4.618 ( 0.948 0.000 0.439) 1.045 4.855 ( -3.255 0.000 -4.467) 5.527 4.993 ( -0.995 0.000 -2.099) 2.323 5.090 ( 4.267 0.000 -2.212) 4.806 5.927 ( -0.686 0.000 -3.186) 3.259 6.027 ( 2.326 0.000 1.399) 2.714 6.366 ( -0.036 0.000 0.753) 0.754 6.629 ( -0.234 0.000 -3.855) 3.862 8.203 ( -2.675 0.000 0.453) 2.713 8.379 ( -0.665 0.000 -0.902) 1.120 8.495 ( 4.597 0.000 1.561) 4.855 8.575 ( -0.436 0.000 -2.124) 2.168 8.659 ( 0.347 0.000 0.543) 0.645 8.879 ( -0.841 0.000 14.330) 14.355 8.916 ( 0.331 0.000 1.525) 1.561 9.089 ( -1.072 0.000 0.037) 1.073 9.328 ( -3.180 0.000 0.784) 3.276 9.391 ( 0.747 0.000 -1.801) 1.950 9.494 ( -3.355 0.000 2.011) 3.912 9.752 ( -4.547 0.000 -2.562) 5.219 9.847 ( -1.889 0.000 0.203) 1.900 9.878 ( -0.184 0.000 -1.584) 1.595 9.938 ( 3.192 0.000 4.603) 5.602 10.068 ( 3.015 0.000 -0.293) 3.029 10.548 ( -0.186 0.000 0.135) 0.230 10.916 ( -0.769 0.000 -0.492) 0.913 10.987 ( 1.609 0.000 -3.252) 3.629 11.080 ( 0.741 0.000 0.647) 0.984 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 15.810 0.000 9.375) 18.380 0.854 ( 19.029 0.000 -0.522) 19.036 1.195 ( 0.968 0.000 -1.536) 1.816 1.335 ( -0.419 0.000 -6.380) 6.394 1.419 ( 2.238 0.000 4.232) 4.787 1.585 ( 4.010 0.000 -2.824) 4.905 1.698 ( 0.785 0.000 -0.649) 1.018 1.739 ( 24.649 0.000 5.305) 25.213 2.004 ( -3.900 0.000 -0.902) 4.003 2.074 ( 6.895 0.000 -3.244) 7.620 2.209 ( -3.955 0.000 -3.145) 5.053 2.261 ( -2.770 0.000 -2.546) 3.762 2.418 ( -4.765 0.000 -2.208) 5.252 2.443 ( -4.226 0.000 1.175) 4.386 2.605 ( -2.769 0.000 -1.658) 3.228 2.683 ( 0.753 0.000 2.372) 2.488 2.716 ( -0.068 0.000 6.996) 6.996 2.911 ( 0.561 0.000 -0.751) 0.938 2.982 ( 1.560 0.000 -0.905) 1.804 3.084 ( 2.355 0.000 1.968) 3.069 3.099 ( 4.342 0.000 -2.290) 4.909 3.196 ( 3.247 0.000 1.516) 3.584 3.262 ( 0.043 0.000 3.410) 3.411 3.382 ( -0.217 0.000 0.747) 0.777 3.542 ( -3.770 0.000 0.658) 3.827 3.656 ( -7.513 0.000 2.452) 7.903 3.736 ( -2.488 0.000 -2.153) 3.290 3.899 ( 0.033 0.000 -1.696) 1.696 4.017 ( 0.433 0.000 -0.428) 0.609 4.235 ( 2.398 0.000 0.252) 2.411 4.307 ( 2.125 0.000 -0.070) 2.126 4.416 ( -4.100 0.000 2.222) 4.664 4.650 ( 2.180 0.000 -0.236) 2.193 4.802 ( -0.037 0.000 -5.238) 5.238 4.953 ( -2.648 0.000 0.306) 2.666 5.140 ( 1.403 0.000 -0.589) 1.522 5.922 ( 1.208 0.000 -1.877) 2.233 6.066 ( 1.185 0.000 0.850) 1.459 6.368 ( -0.113 0.000 1.120) 1.126 6.599 ( -1.336 0.000 -2.673) 2.988 8.151 ( -2.652 0.000 0.783) 2.765 8.370 ( -0.051 0.000 -0.375) 0.379 8.548 ( -1.412 0.000 -0.616) 1.541 8.601 ( 4.596 0.000 2.859) 5.413 8.674 ( 0.963 0.000 0.668) 1.172 8.916 ( 0.343 0.000 0.183) 0.389 8.944 ( 1.383 0.000 6.313) 6.463 9.059 ( -1.883 0.000 0.036) 1.883 9.260 ( -3.501 0.000 -1.456) 3.791 9.391 ( 0.010 0.000 -3.296) 3.296 9.450 ( -1.191 0.000 2.977) 3.206 9.652 ( -4.724 0.000 -1.319) 4.905 9.802 ( -2.506 0.000 -1.647) 2.998 9.860 ( -0.819 0.000 -1.455) 1.670 10.014 ( 2.709 0.000 3.088) 4.108 10.131 ( 3.172 0.000 0.302) 3.186 10.542 ( -0.379 0.000 0.034) 0.380 10.909 ( 0.002 0.000 0.558) 0.558 10.991 ( 0.215 0.000 -2.492) 2.502 11.105 ( 1.185 0.000 1.062) 1.592 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 6.299 0.000 5.905) 8.634 1.123 ( 7.266 0.000 -0.072) 7.267 1.220 ( 1.592 0.000 -1.490) 2.180 1.342 ( 4.286 0.000 -8.472) 9.494 1.508 ( 5.640 0.000 4.552) 7.247 1.550 ( 1.593 0.000 -0.214) 1.607 1.749 ( 3.395 0.000 -0.225) 3.402 1.878 ( -5.968 0.000 -4.463) 7.452 2.071 ( 3.342 0.000 1.491) 3.659 2.109 ( -3.759 0.000 -0.611) 3.808 2.158 ( -6.900 0.000 -6.278) 9.329 2.247 ( -4.900 0.000 1.594) 5.153 2.378 ( 16.938 0.000 1.251) 16.985 2.447 ( 1.341 0.000 1.633) 2.112 2.548 ( -2.371 0.000 -2.551) 3.483 2.726 ( 0.198 0.000 4.953) 4.957 2.821 ( 7.057 0.000 3.877) 8.052 2.899 ( -3.118 0.000 -0.980) 3.269 2.934 ( -0.831 0.000 -0.536) 0.989 3.126 ( 2.674 0.000 -0.921) 2.828 3.182 ( 4.502 0.000 -2.134) 4.982 3.226 ( -1.192 0.000 0.328) 1.236 3.295 ( -0.542 0.000 6.387) 6.410 3.395 ( 1.263 0.000 0.342) 1.308 3.496 ( -1.604 0.000 1.696) 2.334 3.556 ( -2.068 0.000 2.042) 2.906 3.677 ( -2.321 0.000 -2.189) 3.191 3.849 ( -5.717 0.000 -3.070) 6.489 4.012 ( 0.543 0.000 -0.764) 0.937 4.251 ( -0.099 0.000 0.265) 0.283 4.333 ( -1.207 0.000 -0.132) 1.214 4.386 ( 1.479 0.000 1.667) 2.228 4.692 ( 2.125 0.000 -0.917) 2.314 4.799 ( 1.215 0.000 -3.331) 3.546 4.898 ( -3.064 0.000 1.146) 3.271 5.148 ( -0.081 0.000 0.041) 0.091 5.949 ( 1.729 0.000 -0.613) 1.835 6.081 ( 0.218 0.000 0.187) 0.288 6.371 ( -0.004 0.000 0.954) 0.954 6.559 ( -1.484 0.000 -1.938) 2.440 8.113 ( -1.522 0.000 0.628) 1.647 8.373 ( 0.373 0.000 -0.093) 0.385 8.514 ( -1.629 0.000 -0.130) 1.634 8.685 ( 2.311 0.000 0.808) 2.448 8.707 ( 2.013 0.000 2.561) 3.257 8.912 ( -0.429 0.000 0.245) 0.493 8.976 ( -0.359 0.000 -2.165) 2.195 9.044 ( 0.431 0.000 4.385) 4.407 9.187 ( -2.891 0.000 -2.741) 3.984 9.373 ( -0.140 0.000 -2.131) 2.136 9.478 ( 1.727 0.000 3.891) 4.257 9.567 ( -3.248 0.000 -0.656) 3.314 9.737 ( -2.939 0.000 -2.736) 4.015 9.841 ( -0.551 0.000 -0.846) 1.010 10.065 ( 1.481 0.000 1.549) 2.143 10.185 ( 1.987 0.000 0.428) 2.033 10.535 ( -0.277 0.000 -0.037) 0.280 10.916 ( 0.265 0.000 0.970) 1.005 10.980 ( -0.228 0.000 -1.831) 1.845 11.128 ( 0.747 0.000 0.650) 0.990 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 -0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.704 ( -0.000 0.000 -0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 -0.000) 0.000 1.975 ( 0.000 0.000 -0.000) 0.000 2.054 ( 0.000 0.000 -0.000) 0.000 2.134 ( 0.000 0.000 -0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 -0.000) 0.000 2.488 ( 0.000 0.000 -0.000) 0.000 2.647 ( -0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 -0.000) 0.000 2.840 ( 0.000 0.000 -0.000) 0.000 2.856 ( 0.000 0.000 -0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.093 ( -0.000 0.000 -0.000) 0.000 3.188 ( -0.000 0.000 -0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 -0.000) 0.000 3.413 ( 0.000 0.000 -0.000) 0.000 3.482 ( 0.000 0.000 -0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.671 ( -0.000 0.000 -0.000) 0.000 3.693 ( 0.000 0.000 -0.000) 0.000 4.023 ( 0.000 0.000 -0.000) 0.000 4.253 ( 0.000 0.000 -0.000) 0.000 4.309 ( 0.000 0.000 -0.000) 0.000 4.416 ( 0.000 0.000 -0.000) 0.000 4.714 ( 0.000 0.000 -0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 -0.000) 0.000 5.147 ( 0.000 0.000 -0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 -0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 -0.000) 0.000 8.099 ( 0.000 0.000 -0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 -0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 -0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 -0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 -0.000) 0.000 9.692 ( 0.000 0.000 -0.000) 0.000 9.834 ( 0.000 0.000 -0.000) 0.000 10.083 ( 0.000 0.000 -0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 -0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/105) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 19.448 0.000) 19.448 0.485 ( 0.000 23.250 0.000) 23.250 0.786 ( 0.000 35.709 0.000) 35.709 1.219 ( 0.000 0.752 0.000) 0.752 1.374 ( 0.000 -0.785 0.000) 0.785 1.470 ( 0.000 2.088 0.000) 2.088 1.644 ( 0.000 2.062 0.000) 2.062 1.890 ( 0.000 -0.707 0.000) 0.707 1.959 ( 0.000 1.338 0.000) 1.338 2.156 ( 0.000 1.976 0.000) 1.976 2.354 ( 0.000 -5.718 0.000) 5.718 2.364 ( 0.000 -2.621 0.000) 2.621 2.436 ( 0.000 -2.930 0.000) 2.930 2.547 ( 0.000 -1.494 0.000) 1.494 2.593 ( 0.000 -3.961 0.000) 3.961 2.648 ( 0.000 0.557 0.000) 0.557 2.716 ( 0.000 -1.666 0.000) 1.666 2.824 ( 0.000 -3.858 0.000) 3.858 2.927 ( 0.000 -1.500 0.000) 1.500 2.995 ( 0.000 1.196 0.000) 1.196 3.006 ( 0.000 4.500 0.000) 4.500 3.093 ( 0.000 0.549 0.000) 0.549 3.354 ( 0.000 8.795 0.000) 8.795 3.383 ( 0.000 -2.252 0.000) 2.252 3.611 ( 0.000 0.485 0.000) 0.485 3.809 ( 0.000 -0.370 0.000) 0.370 3.810 ( 0.000 -0.448 0.000) 0.448 3.944 ( 0.000 1.272 0.000) 1.272 3.992 ( 0.000 -2.444 0.000) 2.444 4.043 ( 0.000 0.781 0.000) 0.781 4.251 ( 0.000 -0.369 0.000) 0.369 4.475 ( 0.000 -3.471 0.000) 3.471 4.614 ( 0.000 0.309 0.000) 0.309 4.845 ( 0.000 -2.859 0.000) 2.859 5.009 ( 0.000 2.358 0.000) 2.358 5.016 ( 0.000 0.442 0.000) 0.442 5.916 ( 0.000 -5.791 0.000) 5.791 5.922 ( 0.000 -3.058 0.000) 3.058 6.458 ( 0.000 4.334 0.000) 4.334 6.611 ( 0.000 0.906 0.000) 0.906 8.263 ( 0.000 -1.274 0.000) 1.274 8.427 ( 0.000 1.612 0.000) 1.612 8.467 ( 0.000 3.017 0.000) 3.017 8.577 ( 0.000 -0.364 0.000) 0.364 8.667 ( 0.000 0.487 0.000) 0.487 8.687 ( 0.000 1.448 0.000) 1.448 9.054 ( 0.000 -3.883 0.000) 3.883 9.086 ( 0.000 0.972 0.000) 0.972 9.333 ( 0.000 -3.271 0.000) 3.271 9.394 ( 0.000 -2.639 0.000) 2.639 9.511 ( 0.000 2.238 0.000) 2.238 9.796 ( 0.000 -3.864 0.000) 3.864 9.848 ( 0.000 -0.224 0.000) 0.224 9.901 ( 0.000 -0.522 0.000) 0.522 9.905 ( 0.000 3.831 0.000) 3.831 10.157 ( 0.000 1.411 0.000) 1.411 10.640 ( 0.000 0.926 0.000) 0.926 10.934 ( 0.000 -0.500 0.000) 0.500 11.057 ( 0.000 -1.478 0.000) 1.478 11.060 ( 0.000 -0.301 0.000) 0.301 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 16.877 11.607 -1.360) 20.528 0.652 ( 13.677 16.647 2.335) 21.671 1.142 ( 23.058 18.013 12.546) 31.836 1.220 ( 3.221 3.455 -0.773) 4.787 1.374 ( 0.296 0.880 -1.027) 1.385 1.458 ( 0.247 1.917 -1.009) 2.181 1.650 ( 0.756 2.479 -3.753) 4.561 1.820 ( -2.931 4.625 -1.552) 5.691 2.000 ( 3.180 1.125 0.394) 3.396 2.083 ( -4.188 1.485 -4.830) 6.563 2.256 ( -4.786 -4.073 -0.620) 6.315 2.354 ( -2.909 -1.596 -2.461) 4.131 2.403 ( -0.714 -2.557 -6.006) 6.567 2.527 ( -1.462 0.657 1.997) 2.561 2.618 ( -0.146 -2.805 1.051) 2.999 2.650 ( -2.621 -1.981 5.365) 6.291 2.776 ( 4.447 -4.222 3.570) 7.095 2.823 ( -1.576 -0.267 -1.963) 2.532 2.930 ( 1.014 -0.409 1.130) 1.573 3.007 ( 3.240 -0.274 0.992) 3.400 3.045 ( 3.014 2.710 -1.696) 4.394 3.115 ( 2.200 0.305 2.056) 3.026 3.322 ( -2.335 2.533 -1.553) 3.779 3.408 ( 0.833 3.117 2.562) 4.119 3.596 ( -2.819 -1.398 0.802) 3.248 3.741 ( -4.925 -1.887 1.726) 5.549 3.831 ( -2.513 1.613 0.370) 3.009 3.898 ( -0.754 -0.832 -2.975) 3.179 3.995 ( 2.609 0.975 -0.133) 2.789 4.133 ( 4.698 -1.655 1.257) 5.137 4.272 ( 1.694 -0.350 -0.534) 1.810 4.452 ( -2.541 -3.098 1.006) 4.131 4.623 ( 1.042 0.458 0.298) 1.177 4.839 ( -0.982 -1.831 -4.350) 4.821 4.958 ( -1.414 -0.678 1.468) 2.148 5.092 ( 3.559 0.135 -1.764) 3.974 5.869 ( -0.926 -4.688 -2.480) 5.384 5.982 ( 2.512 -4.144 1.704) 5.137 6.441 ( -0.895 5.436 0.337) 5.520 6.621 ( 0.460 0.120 -1.800) 1.862 8.225 ( -2.764 1.049 0.341) 2.976 8.417 ( -1.077 2.200 -1.783) 3.030 8.489 ( 2.346 0.806 1.840) 3.089 8.573 ( -0.807 -1.312 0.358) 1.582 8.670 ( 1.922 2.704 -0.596) 3.371 8.777 ( 4.246 -2.761 5.773) 7.679 9.033 ( -2.411 0.276 0.916) 2.594 9.063 ( -0.983 0.195 1.559) 1.854 9.306 ( -3.761 -2.040 0.015) 4.278 9.365 ( 0.217 -2.535 -2.187) 3.355 9.516 ( -1.060 2.012 0.498) 2.328 9.736 ( -3.467 -1.845 -2.711) 4.772 9.839 ( -1.615 -0.942 -0.964) 2.104 9.871 ( -0.645 -0.316 -1.494) 1.657 9.977 ( 2.737 2.292 5.016) 6.157 10.116 ( -1.341 2.937 -0.482) 3.264 10.598 ( -2.259 2.968 -0.109) 3.731 10.935 ( -0.639 0.452 -0.132) 0.793 10.998 ( -0.932 0.502 -2.750) 2.947 11.076 ( 0.543 -0.570 0.717) 1.065 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 15.229 6.972 0.303) 16.752 0.959 ( 14.415 8.498 3.606) 17.118 1.215 ( 2.368 2.010 -1.432) 3.420 1.355 ( -0.450 2.201 -4.801) 5.300 1.426 ( 1.188 0.277 2.112) 2.439 1.605 ( -0.424 0.327 -4.674) 4.704 1.681 ( 5.505 4.656 1.550) 7.375 1.896 ( 14.893 9.520 3.892) 18.100 1.989 ( -2.694 -1.026 -0.192) 2.889 2.095 ( 6.703 1.569 -3.179) 7.582 2.182 ( -1.964 -1.692 -0.567) 2.654 2.265 ( -3.398 -0.138 -4.569) 5.696 2.378 ( -0.929 -0.864 -0.614) 1.409 2.467 ( -5.553 -0.913 0.020) 5.628 2.597 ( -1.995 -0.083 0.434) 2.043 2.656 ( 1.141 -0.960 6.292) 6.467 2.760 ( -0.540 2.100 1.582) 2.685 2.849 ( 1.157 -3.831 -0.426) 4.024 2.991 ( 2.637 -1.928 0.013) 3.266 3.060 ( 1.756 -0.966 -0.770) 2.147 3.113 ( 3.919 1.265 -1.348) 4.333 3.179 ( 2.203 -1.573 2.482) 3.672 3.284 ( -0.281 2.376 2.827) 3.703 3.419 ( -0.646 3.387 1.468) 3.748 3.526 ( -4.048 -1.446 1.073) 4.430 3.631 ( -5.940 -1.586 1.604) 6.354 3.768 ( -3.319 2.058 -1.771) 4.288 3.886 ( -0.005 -0.705 -1.587) 1.736 4.046 ( 1.685 2.548 -0.473) 3.091 4.206 ( 2.622 -2.614 -0.122) 3.704 4.300 ( 1.177 -1.020 0.551) 1.652 4.395 ( -3.480 -1.902 1.874) 4.386 4.658 ( 2.375 0.699 -0.328) 2.497 4.801 ( -0.111 -0.053 -4.959) 4.961 4.934 ( -1.957 -1.330 1.000) 2.569 5.131 ( 0.986 -0.917 -0.667) 1.503 5.864 ( 1.112 -4.833 -1.578) 5.204 6.027 ( 1.403 -3.759 0.970) 4.128 6.433 ( -0.298 5.330 0.785) 5.395 6.607 ( -0.896 0.803 -2.233) 2.537 8.175 ( -2.532 1.982 0.727) 3.296 8.395 ( -0.434 2.192 -0.813) 2.378 8.536 ( -0.305 -0.506 0.640) 0.871 8.565 ( 1.716 -2.626 1.709) 3.572 8.715 ( 2.244 3.277 0.525) 4.007 8.861 ( 2.348 -3.498 2.283) 4.792 9.004 ( -1.245 2.759 2.670) 4.036 9.058 ( -0.031 0.061 0.889) 0.891 9.225 ( -3.814 -2.190 -1.210) 4.562 9.368 ( 0.725 -2.088 -2.389) 3.255 9.484 ( -1.585 2.543 0.905) 3.130 9.653 ( -3.976 -0.276 -1.706) 4.335 9.796 ( -2.174 -1.255 -1.913) 3.156 9.843 ( -1.419 -0.743 -1.426) 2.145 10.036 ( 1.583 1.647 3.455) 4.142 10.133 ( 2.288 0.292 0.389) 2.339 10.570 ( -0.919 2.444 0.055) 2.611 10.919 ( -0.539 0.604 0.169) 0.827 10.989 ( 0.234 -0.231 -2.067) 2.093 11.095 ( 0.975 -0.974 0.947) 1.672 ======================= Grid point 12 (9/105) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 3.386 1.541 1.282) 3.935 1.161 ( 5.957 2.851 2.186) 6.956 1.293 ( 1.661 7.335 -0.970) 7.583 1.373 ( 7.631 3.080 -8.254) 11.655 1.493 ( 2.728 -1.767 3.855) 5.042 1.562 ( 3.513 1.619 -2.186) 4.443 1.724 ( 0.744 -0.708 -0.033) 1.028 1.884 ( -4.099 0.974 -2.625) 4.964 2.071 ( -2.888 -1.005 0.983) 3.212 2.103 ( -4.433 -0.460 -0.176) 4.460 2.175 ( 1.165 1.480 -3.058) 3.592 2.276 ( -3.963 2.770 -0.274) 4.842 2.400 ( 3.730 -0.849 -0.424) 3.849 2.452 ( 8.376 2.216 2.083) 8.911 2.555 ( -0.171 1.266 -2.420) 2.736 2.720 ( 0.617 -0.513 7.124) 7.169 2.821 ( 3.469 -1.581 -0.068) 3.813 2.892 ( 4.278 0.153 0.268) 4.289 2.934 ( -3.846 0.917 -0.249) 3.962 3.106 ( 1.499 -3.541 1.057) 3.988 3.175 ( 2.568 0.377 -2.950) 3.929 3.222 ( 1.886 -0.527 1.144) 2.268 3.316 ( -0.208 2.488 5.546) 6.082 3.414 ( 0.200 2.029 0.981) 2.262 3.467 ( -1.808 -1.938 0.983) 2.827 3.566 ( -0.691 0.202 2.234) 2.347 3.691 ( -3.318 1.084 -2.369) 4.219 3.839 ( -5.085 -0.212 -2.849) 5.833 4.061 ( 0.834 3.927 -0.770) 4.088 4.232 ( 0.292 -1.855 -0.119) 1.881 4.322 ( -0.266 -2.088 0.668) 2.208 4.355 ( -0.197 -1.907 1.119) 2.219 4.703 ( 2.181 0.965 -0.776) 2.508 4.795 ( 0.979 -0.265 -3.198) 3.355 4.894 ( -2.365 -0.325 1.098) 2.628 5.134 ( -0.206 -1.421 0.012) 1.436 5.889 ( 1.589 -4.970 -0.469) 5.239 6.045 ( 0.320 -3.474 0.232) 3.496 6.434 ( 0.046 5.261 0.783) 5.319 6.575 ( -1.206 1.485 -1.819) 2.639 8.137 ( -1.539 2.134 0.547) 2.687 8.393 ( 0.351 1.979 -0.255) 2.026 8.506 ( -1.801 -0.772 0.004) 1.959 8.632 ( 3.147 -3.089 2.661) 5.150 8.739 ( -0.103 1.304 -1.225) 1.792 8.896 ( 1.067 -2.371 1.884) 3.211 8.988 ( -1.175 3.350 -0.474) 3.582 9.080 ( 1.318 1.060 2.670) 3.161 9.157 ( -2.335 -1.298 -1.786) 3.214 9.365 ( 0.067 -1.076 -2.711) 2.918 9.487 ( 0.952 0.738 3.260) 3.475 9.577 ( -2.907 0.845 -1.008) 3.191 9.737 ( -2.687 -0.254 -2.624) 3.764 9.814 ( -0.845 -2.071 -0.854) 2.394 10.072 ( 0.978 0.480 1.627) 1.958 10.178 ( 1.759 -0.617 0.617) 1.964 10.558 ( -0.399 2.161 0.041) 2.198 10.916 ( -0.082 -0.230 0.454) 0.515 10.983 ( -0.056 0.219 -1.378) 1.396 11.115 ( 0.682 -1.252 0.585) 1.541 ======================= Grid point 13 (10/105) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 0.237 -0.000) 0.237 1.216 ( 0.000 0.995 -0.000) 0.995 1.314 ( 0.000 6.229 0.000) 6.229 1.383 ( 0.000 4.621 -0.000) 4.621 1.589 ( 0.000 0.639 0.000) 0.639 1.650 ( -0.000 -3.589 -0.000) 3.589 1.733 ( 0.000 0.457 0.000) 0.457 1.830 ( -0.000 2.239 -0.000) 2.239 1.973 ( -0.000 -0.603 -0.000) 0.603 2.038 ( 0.000 -1.143 0.000) 1.143 2.211 ( -0.000 5.674 -0.000) 5.674 2.224 ( 0.000 0.716 0.000) 0.716 2.424 ( 0.000 -3.670 -0.000) 3.670 2.499 ( 0.000 0.659 -0.000) 0.659 2.669 ( -0.000 1.796 0.000) 1.796 2.687 ( 0.000 2.160 -0.000) 2.160 2.828 ( -0.000 -1.379 0.000) 1.379 2.846 ( 0.000 -1.018 -0.000) 1.018 3.074 ( 0.000 -1.864 0.000) 1.864 3.096 ( -0.000 0.293 -0.000) 0.293 3.151 ( -0.000 -2.976 -0.000) 2.976 3.278 ( -0.000 -0.166 0.000) 0.166 3.297 ( 0.000 4.570 -0.000) 4.570 3.414 ( 0.000 -0.179 -0.000) 0.179 3.484 ( 0.000 0.718 0.000) 0.718 3.600 ( 0.000 -0.587 0.000) 0.587 3.672 ( 0.000 1.091 0.000) 1.091 3.699 ( -0.000 0.749 -0.000) 0.749 4.072 ( 0.000 4.093 -0.000) 4.093 4.234 ( 0.000 -1.789 -0.000) 1.789 4.308 ( 0.000 -0.563 0.000) 0.563 4.370 ( 0.000 -3.853 0.000) 3.853 4.725 ( -0.000 0.992 -0.000) 0.992 4.800 ( 0.000 -0.496 0.000) 0.496 4.869 ( 0.000 0.366 -0.000) 0.366 5.131 ( 0.000 -1.533 -0.000) 1.533 5.906 ( 0.000 -5.063 0.000) 5.063 6.047 ( 0.000 -3.397 -0.000) 3.397 6.437 ( 0.000 5.286 0.000) 5.286 6.557 ( 0.000 1.772 -0.000) 1.772 8.123 ( 0.000 2.106 0.000) 2.106 8.398 ( 0.000 2.126 0.000) 2.126 8.485 ( 0.000 -1.077 0.000) 1.077 8.694 ( -0.000 -3.733 -0.000) 3.733 8.708 ( 0.000 0.138 0.000) 0.138 8.920 ( 0.000 -1.855 -0.000) 1.855 8.968 ( 0.000 4.621 0.000) 4.621 9.105 ( -0.000 -3.068 -0.000) 3.068 9.126 ( 0.000 3.872 0.000) 3.872 9.357 ( 0.000 -1.393 0.000) 1.393 9.518 ( -0.000 0.429 -0.000) 0.429 9.542 ( 0.000 0.680 0.000) 0.680 9.695 ( 0.000 0.377 -0.000) 0.377 9.804 ( 0.000 -2.522 -0.000) 2.522 10.085 ( 0.000 0.110 0.000) 0.110 10.198 ( 0.000 -0.854 0.000) 0.854 10.554 ( 0.000 2.112 0.000) 2.112 10.916 ( 0.000 -0.628 -0.000) 0.628 10.978 ( 0.000 0.488 0.000) 0.488 11.124 ( 0.000 -1.320 -0.000) 1.320 ======================= Grid point 18 (11/105) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 18.104 0.000) 18.104 0.922 ( 0.000 20.132 0.000) 20.132 1.244 ( 0.000 2.010 0.000) 2.010 1.254 ( 0.000 6.237 0.000) 6.237 1.435 ( 0.000 5.786 0.000) 5.786 1.540 ( 0.000 9.475 0.000) 9.475 1.700 ( 0.000 3.438 0.000) 3.438 1.863 ( 0.000 -1.973 0.000) 1.973 1.985 ( 0.000 0.844 0.000) 0.844 2.234 ( 0.000 3.388 0.000) 3.388 2.247 ( 0.000 -3.969 0.000) 3.969 2.315 ( 0.000 -3.078 0.000) 3.078 2.361 ( 0.000 -1.043 0.000) 1.043 2.518 ( 0.000 -1.853 0.000) 1.853 2.521 ( 0.000 -2.836 0.000) 2.836 2.597 ( 0.000 -3.553 0.000) 3.553 2.661 ( 0.000 -4.094 0.000) 4.094 2.831 ( 0.000 3.294 0.000) 3.294 2.860 ( 0.000 -4.446 0.000) 4.446 3.004 ( 0.000 0.983 0.000) 0.983 3.080 ( 0.000 1.575 0.000) 1.575 3.141 ( 0.000 3.968 0.000) 3.968 3.344 ( 0.000 -1.065 0.000) 1.065 3.525 ( 0.000 7.134 0.000) 7.134 3.612 ( 0.000 -0.577 0.000) 0.577 3.765 ( 0.000 -4.701 0.000) 4.701 3.814 ( 0.000 1.606 0.000) 1.606 3.955 ( 0.000 -0.558 0.000) 0.558 3.975 ( 0.000 1.641 0.000) 1.641 4.066 ( 0.000 1.505 0.000) 1.505 4.228 ( 0.000 -2.253 0.000) 2.253 4.383 ( 0.000 -5.375 0.000) 5.375 4.624 ( 0.000 0.756 0.000) 0.756 4.788 ( 0.000 -2.741 0.000) 2.741 5.032 ( 0.000 1.078 0.000) 1.078 5.051 ( 0.000 1.641 0.000) 1.641 5.791 ( 0.000 -6.003 0.000) 6.003 5.841 ( 0.000 -4.828 0.000) 4.828 6.548 ( 0.000 4.242 0.000) 4.242 6.633 ( 0.000 1.159 0.000) 1.159 8.250 ( 0.000 0.299 0.000) 0.299 8.466 ( 0.000 1.558 0.000) 1.558 8.533 ( 0.000 3.222 0.000) 3.222 8.566 ( 0.000 -0.419 0.000) 0.419 8.683 ( 0.000 1.215 0.000) 1.215 8.709 ( 0.000 0.374 0.000) 0.374 8.983 ( 0.000 -2.366 0.000) 2.366 9.099 ( 0.000 -0.139 0.000) 0.139 9.264 ( 0.000 -3.015 0.000) 3.015 9.322 ( 0.000 -4.161 0.000) 4.161 9.569 ( 0.000 3.259 0.000) 3.259 9.725 ( 0.000 -2.917 0.000) 2.917 9.824 ( 0.000 -1.860 0.000) 1.860 9.871 ( 0.000 -2.254 0.000) 2.254 9.996 ( 0.000 4.665 0.000) 4.665 10.180 ( 0.000 0.588 0.000) 0.588 10.672 ( 0.000 2.316 0.000) 2.316 10.920 ( 0.000 -0.975 0.000) 0.975 11.019 ( 0.000 -2.040 0.000) 2.040 11.049 ( 0.000 -0.763 0.000) 0.763 ======================= Grid point 19 (12/105) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 8.952 13.527 -0.750) 16.239 0.995 ( 6.649 16.211 1.071) 17.554 1.236 ( 0.217 2.362 0.478) 2.420 1.335 ( 3.228 0.005 1.281) 3.473 1.470 ( -0.004 1.345 -0.956) 1.650 1.589 ( 8.457 11.986 0.058) 14.669 1.735 ( 3.401 5.721 -0.321) 6.663 1.879 ( 2.786 2.332 0.539) 3.673 2.001 ( 0.696 -1.231 0.870) 1.660 2.134 ( -4.156 2.063 -6.763) 8.202 2.204 ( -3.267 -0.551 -0.065) 3.314 2.328 ( -0.084 -2.496 -5.584) 6.117 2.335 ( -0.978 -0.049 0.470) 1.086 2.498 ( -2.349 -3.216 2.967) 4.966 2.583 ( 2.421 -1.699 0.679) 3.035 2.637 ( 1.335 -1.704 3.040) 3.732 2.671 ( 2.259 -3.346 0.510) 4.069 2.780 ( -0.027 -2.215 0.901) 2.392 2.929 ( -0.368 -0.423 2.151) 2.223 3.000 ( 2.014 0.482 1.720) 2.692 3.104 ( 2.225 0.166 -0.646) 2.323 3.140 ( 0.404 4.014 -1.806) 4.420 3.341 ( -0.599 1.111 1.583) 2.024 3.503 ( -2.141 3.426 1.890) 4.460 3.579 ( -3.198 -0.516 0.749) 3.324 3.710 ( -4.633 -0.801 1.189) 4.850 3.845 ( 0.542 -1.183 -0.524) 1.402 3.893 ( -2.178 1.807 -2.712) 3.920 4.026 ( 3.788 1.609 0.304) 4.127 4.103 ( 2.498 -0.925 0.092) 2.666 4.245 ( 1.080 -2.662 0.414) 2.902 4.374 ( -1.113 -4.319 1.032) 4.578 4.636 ( 1.286 0.867 0.060) 1.552 4.796 ( 0.949 -2.261 -2.096) 3.226 4.972 ( -3.383 1.574 0.565) 3.773 5.092 ( 1.882 -0.230 -1.501) 2.418 5.768 ( -0.605 -4.912 -1.971) 5.327 5.882 ( 2.419 -5.557 1.828) 6.330 6.544 ( -0.292 4.630 0.240) 4.645 6.635 ( 0.280 1.027 -1.010) 1.468 8.244 ( -0.898 1.233 0.626) 1.649 8.452 ( -1.047 1.354 0.039) 1.712 8.524 ( -0.021 1.520 -1.064) 1.855 8.557 ( -1.102 0.566 1.007) 1.597 8.708 ( 1.430 -1.117 0.959) 2.053 8.758 ( 4.117 1.968 1.708) 4.872 8.974 ( -0.832 -2.683 1.285) 3.090 9.099 ( -0.209 0.971 1.235) 1.585 9.257 ( -1.926 -2.504 0.233) 3.167 9.303 ( -0.037 -3.430 -2.079) 4.011 9.566 ( -0.423 2.794 -1.409) 3.157 9.691 ( -2.367 -2.001 -1.535) 3.459 9.815 ( -1.846 -1.622 -2.249) 3.331 9.846 ( -0.399 -2.211 -1.493) 2.698 10.032 ( 1.657 3.168 4.171) 5.493 10.157 ( -1.827 1.116 0.193) 2.149 10.654 ( -1.429 2.998 0.093) 3.322 10.929 ( 0.308 -1.051 0.050) 1.096 10.991 ( -1.195 -0.819 -1.516) 2.097 11.058 ( 0.388 -1.094 0.521) 1.273 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 10.326 6.498 -0.594) 12.215 1.129 ( 4.726 6.827 0.160) 8.305 1.282 ( 5.398 4.976 0.724) 7.377 1.381 ( 2.070 -0.377 0.256) 2.119 1.457 ( 0.559 3.357 -1.558) 3.743 1.625 ( -1.635 1.722 -6.704) 7.112 1.815 ( -0.204 6.489 0.989) 6.567 1.945 ( -1.411 -2.317 -1.374) 3.041 2.058 ( 5.788 4.532 2.214) 7.677 2.123 ( 3.257 1.162 -3.809) 5.144 2.174 ( 2.314 0.653 0.155) 2.409 2.283 ( 0.384 1.886 -2.900) 3.481 2.342 ( 0.756 -2.241 -0.453) 2.408 2.450 ( -1.912 0.111 1.390) 2.367 2.603 ( -0.906 0.292 0.786) 1.235 2.657 ( 0.221 0.684 6.456) 6.496 2.719 ( 3.057 -4.515 -1.983) 5.802 2.829 ( 0.311 -0.767 2.353) 2.494 2.919 ( 2.756 -2.392 0.857) 3.748 3.067 ( 1.417 0.872 0.492) 1.735 3.125 ( 0.294 -2.764 2.132) 3.503 3.164 ( 3.098 3.516 -2.552) 5.336 3.344 ( 0.051 3.226 3.609) 4.841 3.472 ( -2.400 -0.937 2.971) 3.932 3.514 ( -3.010 1.791 0.780) 3.588 3.614 ( -4.867 0.729 0.994) 5.021 3.787 ( -3.691 -0.283 -2.788) 4.634 3.893 ( 0.614 1.566 -1.058) 1.987 4.103 ( 2.891 2.777 -0.487) 4.038 4.141 ( 2.203 -3.860 -0.804) 4.517 4.255 ( -0.721 -3.390 1.934) 3.968 4.355 ( -1.173 -1.964 1.161) 2.565 4.674 ( 2.632 1.001 -0.480) 2.856 4.799 ( 0.670 -0.332 -3.645) 3.721 4.921 ( -2.191 0.269 0.747) 2.330 5.104 ( -0.053 -1.792 -0.793) 1.960 5.766 ( 1.065 -4.317 -1.169) 4.598 5.929 ( 1.628 -5.665 1.061) 5.989 6.541 ( -0.104 5.056 0.430) 5.075 6.630 ( -0.289 1.371 -1.655) 2.169 8.219 ( -1.846 2.444 0.618) 3.125 8.436 ( -0.429 1.176 -0.440) 1.327 8.525 ( -0.781 -0.890 0.340) 1.232 8.545 ( 0.531 1.276 0.984) 1.696 8.736 ( 0.821 -2.558 0.388) 2.715 8.840 ( 2.942 2.808 1.121) 4.218 8.980 ( 0.582 -3.219 3.897) 5.087 9.103 ( 0.229 2.554 0.335) 2.586 9.198 ( -2.918 -0.657 -0.627) 3.056 9.314 ( 1.347 -3.164 -1.580) 3.784 9.531 ( -1.905 2.120 -2.524) 3.808 9.642 ( -2.115 -0.293 -0.581) 2.213 9.756 ( -2.152 -2.271 -3.615) 4.781 9.829 ( -1.430 -1.227 -0.680) 2.003 10.067 ( 0.176 1.503 3.121) 3.468 10.141 ( 0.296 0.352 1.090) 1.183 10.630 ( -1.028 3.542 0.261) 3.697 10.918 ( -0.998 -1.001 -0.269) 1.439 10.984 ( 0.540 -0.176 -1.037) 1.182 11.069 ( 0.569 -1.485 0.495) 1.665 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.992 2.405 0.228) 2.611 1.204 ( 3.440 1.837 -0.087) 3.900 1.375 ( 1.318 1.095 -0.269) 1.734 1.447 ( 3.329 -0.587 -0.452) 3.410 1.521 ( 7.486 7.370 -1.997) 10.693 1.583 ( 1.980 0.278 -4.860) 5.255 1.783 ( -1.537 5.883 0.912) 6.149 1.906 ( -1.805 0.512 -0.638) 1.982 2.049 ( -4.925 -0.677 -0.249) 4.978 2.109 ( -4.178 2.053 -1.323) 4.840 2.194 ( 2.537 0.049 0.131) 2.541 2.306 ( -1.046 -0.366 -2.928) 3.131 2.391 ( 3.041 2.504 0.873) 4.035 2.495 ( 2.450 0.600 1.316) 2.845 2.599 ( 3.264 2.259 -2.341) 4.609 2.697 ( -0.092 -2.299 6.214) 6.626 2.760 ( 1.819 -2.602 0.435) 3.204 2.860 ( 1.529 -3.957 -1.269) 4.428 2.984 ( 2.577 -1.081 -0.576) 2.853 3.038 ( -1.100 1.770 2.167) 3.006 3.171 ( 0.245 -1.375 1.679) 2.184 3.217 ( 3.388 0.377 -0.508) 3.447 3.377 ( 1.284 2.575 3.869) 4.822 3.440 ( -0.957 0.387 2.675) 2.868 3.479 ( -1.505 3.282 0.954) 3.735 3.564 ( 0.259 0.473 0.650) 0.845 3.712 ( -2.642 1.150 -1.874) 3.437 3.855 ( -4.357 1.605 -2.314) 5.188 4.124 ( 0.680 0.566 -0.760) 1.166 4.191 ( 2.578 -1.647 -2.050) 3.683 4.241 ( -1.501 -3.921 3.373) 5.386 4.340 ( -0.628 -0.416 0.308) 0.814 4.724 ( 2.357 1.121 -0.523) 2.662 4.796 ( 0.523 0.421 -2.994) 3.069 4.889 ( -1.445 -0.013 0.891) 1.698 5.093 ( -0.569 -2.613 -0.052) 2.675 5.790 ( 1.399 -4.317 -0.288) 4.547 5.952 ( 0.474 -5.541 0.276) 5.569 6.544 ( 0.136 5.220 0.520) 5.248 6.613 ( -0.609 2.097 -1.515) 2.657 8.186 ( -1.471 2.735 0.337) 3.124 8.435 ( 0.528 0.783 -0.438) 1.042 8.493 ( -2.078 0.397 0.316) 2.139 8.584 ( 2.179 -1.531 1.546) 3.080 8.731 ( -1.019 -1.785 -1.492) 2.540 8.888 ( 1.590 2.034 2.247) 3.423 9.009 ( 0.393 -2.902 1.972) 3.531 9.102 ( -0.451 3.380 -1.060) 3.571 9.172 ( 0.615 1.379 1.803) 2.352 9.323 ( 0.019 -3.099 -3.081) 4.370 9.501 ( -0.045 0.735 0.652) 0.984 9.595 ( -2.409 0.776 -1.417) 2.900 9.715 ( -0.647 -1.567 -2.026) 2.642 9.787 ( -2.219 -0.586 -0.789) 2.427 10.078 ( 0.169 0.167 1.440) 1.460 10.160 ( 0.715 -1.202 1.070) 1.761 10.617 ( -0.456 3.687 0.221) 3.722 10.901 ( -0.561 -1.354 -0.121) 1.470 10.989 ( 0.276 0.384 -0.637) 0.794 11.083 ( 0.513 -1.907 0.335) 2.003 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 1.837 0.000) 1.837 1.232 ( 0.000 0.888 -0.000) 0.888 1.382 ( 0.000 0.637 -0.000) 0.637 1.456 ( 0.000 1.705 0.000) 1.705 1.614 ( 0.000 -0.190 -0.000) 0.190 1.639 ( 0.000 0.728 0.000) 0.728 1.781 ( 0.000 5.668 0.000) 5.668 1.884 ( 0.000 2.305 -0.000) 2.305 1.970 ( -0.000 1.425 0.000) 1.425 2.037 ( 0.000 2.223 -0.000) 2.223 2.255 ( -0.000 2.397 -0.000) 2.397 2.259 ( 0.000 -0.759 0.000) 0.759 2.423 ( 0.000 3.787 -0.000) 3.787 2.505 ( 0.000 0.169 -0.000) 0.169 2.670 ( -0.000 -3.067 0.000) 3.067 2.694 ( 0.000 -2.214 -0.000) 2.214 2.803 ( 0.000 -0.461 0.000) 0.461 2.818 ( 0.000 -1.364 -0.000) 1.364 2.996 ( -0.000 -5.025 -0.000) 5.025 3.105 ( 0.000 0.524 -0.000) 0.524 3.133 ( -0.000 1.144 0.000) 1.144 3.257 ( -0.000 -2.520 -0.000) 2.520 3.393 ( -0.000 3.978 0.000) 3.978 3.417 ( 0.000 1.314 -0.000) 1.314 3.507 ( 0.000 0.911 0.000) 0.911 3.595 ( 0.000 1.011 -0.000) 1.011 3.715 ( 0.000 2.676 0.000) 2.676 3.734 ( -0.000 3.006 -0.000) 3.006 4.131 ( 0.000 -0.353 -0.000) 0.353 4.212 ( 0.000 1.545 -0.000) 1.545 4.232 ( -0.000 -6.228 0.000) 6.228 4.334 ( 0.000 -0.065 0.000) 0.065 4.749 ( -0.000 1.331 -0.000) 1.331 4.794 ( 0.000 0.076 0.000) 0.076 4.875 ( 0.000 0.344 -0.000) 0.344 5.087 ( 0.000 -2.835 -0.000) 2.835 5.805 ( 0.000 -4.421 0.000) 4.421 5.956 ( 0.000 -5.465 -0.000) 5.465 6.548 ( 0.000 5.232 0.000) 5.232 6.601 ( 0.000 2.491 -0.000) 2.491 8.172 ( 0.000 2.716 0.000) 2.716 8.450 ( -0.000 -2.453 -0.000) 2.453 8.461 ( 0.000 3.760 0.000) 3.760 8.617 ( 0.000 -3.586 0.000) 3.586 8.708 ( 0.000 0.162 0.000) 0.162 8.912 ( -0.000 1.258 -0.000) 1.258 9.013 ( 0.000 -2.510 0.000) 2.510 9.091 ( 0.000 3.719 -0.000) 3.719 9.199 ( 0.000 3.126 0.000) 3.126 9.303 ( 0.000 -4.010 -0.000) 4.010 9.527 ( -0.000 0.418 -0.000) 0.418 9.547 ( 0.000 -0.301 0.000) 0.301 9.708 ( 0.000 0.941 -0.000) 0.941 9.758 ( 0.000 -1.609 0.000) 1.609 10.084 ( 0.000 -0.227 0.000) 0.227 10.170 ( 0.000 -1.921 0.000) 1.921 10.613 ( 0.000 3.725 0.000) 3.725 10.895 ( 0.000 -1.544 -0.000) 1.544 10.990 ( 0.000 0.603 0.000) 0.603 11.089 ( 0.000 -2.039 -0.000) 2.039 ======================= Grid point 27 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 13.796 0.000) 13.796 1.230 ( 0.000 8.005 0.000) 8.005 1.280 ( 0.000 -0.489 0.000) 0.489 1.350 ( 0.000 11.514 0.000) 11.514 1.446 ( 0.000 -1.983 0.000) 1.983 1.710 ( 0.000 0.219 0.000) 0.219 1.773 ( 0.000 3.665 0.000) 3.665 1.838 ( 0.000 0.997 0.000) 0.997 1.992 ( 0.000 0.512 0.000) 0.512 2.167 ( 0.000 -7.070 0.000) 7.070 2.215 ( 0.000 0.730 0.000) 0.730 2.260 ( 0.000 -0.437 0.000) 0.437 2.408 ( 0.000 -5.170 0.000) 5.170 2.454 ( 0.000 3.620 0.000) 3.620 2.467 ( 0.000 -3.947 0.000) 3.947 2.574 ( 0.000 -3.163 0.000) 3.163 2.648 ( 0.000 4.991 0.000) 4.991 2.763 ( 0.000 -4.921 0.000) 4.921 2.889 ( 0.000 3.513 0.000) 3.513 3.061 ( 0.000 -2.875 0.000) 2.875 3.093 ( 0.000 7.941 0.000) 7.941 3.243 ( 0.000 6.330 0.000) 6.330 3.333 ( 0.000 -1.114 0.000) 1.114 3.579 ( 0.000 -4.211 0.000) 4.211 3.605 ( 0.000 1.073 0.000) 1.073 3.636 ( 0.000 -5.992 0.000) 5.992 3.896 ( 0.000 6.234 0.000) 6.234 3.966 ( 0.000 1.171 0.000) 1.171 3.999 ( 0.000 0.668 0.000) 0.668 4.108 ( 0.000 2.867 0.000) 2.867 4.156 ( 0.000 -4.886 0.000) 4.886 4.276 ( 0.000 -5.162 0.000) 5.162 4.647 ( 0.000 1.568 0.000) 1.568 4.735 ( 0.000 -2.595 0.000) 2.595 5.056 ( 0.000 1.226 0.000) 1.226 5.073 ( 0.000 0.591 0.000) 0.591 5.699 ( 0.000 -2.936 0.000) 2.936 5.745 ( 0.000 -4.394 0.000) 4.394 6.617 ( 0.000 2.612 0.000) 2.612 6.651 ( 0.000 0.575 0.000) 0.575 8.281 ( 0.000 2.731 0.000) 2.731 8.444 ( 0.000 -3.703 0.000) 3.703 8.585 ( 0.000 1.917 0.000) 1.917 8.587 ( 0.000 2.133 0.000) 2.133 8.706 ( 0.000 -0.045 0.000) 0.045 8.712 ( 0.000 1.312 0.000) 1.312 8.971 ( 0.000 0.768 0.000) 0.768 9.066 ( 0.000 -3.117 0.000) 3.117 9.223 ( 0.000 -1.015 0.000) 1.015 9.252 ( 0.000 -2.445 0.000) 2.445 9.632 ( 0.000 2.904 0.000) 2.904 9.685 ( 0.000 -1.065 0.000) 1.065 9.784 ( 0.000 -1.847 0.000) 1.847 9.819 ( 0.000 -2.810 0.000) 2.810 10.079 ( 0.000 3.610 0.000) 3.610 10.175 ( 0.000 -1.063 0.000) 1.063 10.732 ( 0.000 3.634 0.000) 3.634 10.884 ( 0.000 -2.938 0.000) 2.938 10.993 ( 0.000 -0.221 0.000) 0.221 11.029 ( 0.000 -1.192 0.000) 1.192 ======================= Grid point 28 (17/105) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 2.637 11.118 -0.518) 11.438 1.221 ( -0.436 5.045 0.863) 5.137 1.311 ( 3.054 3.080 1.352) 4.543 1.362 ( 0.158 5.423 3.485) 6.448 1.489 ( 2.823 1.583 -3.051) 4.448 1.677 ( -1.580 -1.685 -1.360) 2.680 1.824 ( 5.896 2.467 -1.419) 6.547 1.922 ( 2.842 0.805 -0.146) 2.958 2.007 ( 3.485 2.236 0.279) 4.150 2.123 ( -0.724 -1.783 -3.114) 3.660 2.178 ( -2.256 -1.358 -1.325) 2.948 2.292 ( 0.573 0.421 0.815) 1.081 2.378 ( -1.484 -2.805 -2.496) 4.037 2.427 ( 0.309 -1.523 0.328) 1.588 2.544 ( 1.377 -0.674 -1.801) 2.365 2.585 ( 3.356 -4.988 -1.663) 6.238 2.652 ( 1.919 3.378 2.619) 4.685 2.777 ( 0.014 0.400 2.890) 2.918 2.911 ( 0.118 -0.404 4.031) 4.053 3.026 ( -2.372 -1.808 2.222) 3.720 3.111 ( 1.116 5.706 0.107) 5.815 3.256 ( 1.682 6.666 -2.462) 7.302 3.359 ( 1.614 -0.521 3.267) 3.681 3.499 ( -6.066 -3.091 2.806) 7.363 3.566 ( -2.164 -0.367 -0.138) 2.200 3.678 ( 1.056 -3.719 -2.545) 4.629 3.861 ( -3.404 3.962 0.714) 5.272 3.948 ( -0.513 3.159 -1.458) 3.516 4.027 ( 1.628 -1.547 0.551) 2.312 4.110 ( 1.001 0.134 -1.643) 1.929 4.176 ( 1.174 -2.414 2.042) 3.373 4.292 ( 1.013 -3.936 0.995) 4.184 4.661 ( 1.521 1.676 -0.251) 2.277 4.750 ( 1.601 -2.403 -1.086) 3.085 5.011 ( -3.122 2.182 -0.389) 3.829 5.081 ( -0.062 -0.997 -1.338) 1.669 5.695 ( 0.384 -1.944 -0.974) 2.207 5.773 ( 1.986 -5.013 1.248) 5.535 6.618 ( 0.142 2.741 0.016) 2.745 6.653 ( 0.281 0.606 -0.669) 0.946 8.285 ( 0.054 2.955 0.602) 3.016 8.440 ( -0.566 -2.973 -0.092) 3.028 8.545 ( -1.901 1.452 0.903) 2.557 8.588 ( -1.081 0.701 -1.288) 1.822 8.690 ( 0.429 1.259 0.849) 1.578 8.789 ( 4.311 -0.018 2.642) 5.056 8.958 ( -0.944 1.181 0.124) 1.518 9.080 ( 1.069 -2.881 0.703) 3.152 9.220 ( -0.674 -0.866 0.155) 1.109 9.246 ( 0.155 -1.921 -0.966) 2.156 9.622 ( -0.704 2.735 -2.788) 3.968 9.671 ( -1.092 0.000 -0.106) 1.097 9.774 ( -1.490 -2.297 -3.059) 4.106 9.793 ( -0.742 -2.752 -1.068) 3.044 10.092 ( 0.276 2.675 2.723) 3.827 10.161 ( -1.462 -0.586 0.930) 1.829 10.724 ( -0.812 3.935 0.321) 4.030 10.885 ( -0.155 -3.322 0.299) 3.339 10.986 ( -0.197 0.473 -0.767) 0.923 11.033 ( 0.268 -1.371 0.044) 1.398 ======================= Grid point 29 (18/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 4.272 5.387 -1.498) 7.037 1.217 ( -0.099 2.673 -0.352) 2.698 1.382 ( 2.636 1.484 0.868) 3.147 1.389 ( 1.029 4.023 3.042) 5.147 1.529 ( 3.063 3.750 -0.222) 4.847 1.640 ( -1.421 -0.868 -3.987) 4.321 1.892 ( -0.836 -1.552 -3.266) 3.711 1.904 ( 0.120 0.801 0.277) 0.856 2.088 ( 1.436 -0.680 -2.772) 3.195 2.146 ( 0.629 0.138 -1.721) 1.838 2.181 ( 4.681 2.901 0.272) 5.514 2.303 ( 1.174 1.135 0.438) 1.691 2.369 ( 2.280 1.423 -1.630) 3.143 2.420 ( 1.016 -2.428 -2.193) 3.426 2.582 ( 2.780 -2.954 -2.059) 4.549 2.659 ( 4.219 -2.471 -0.871) 4.967 2.697 ( -0.159 4.840 4.986) 6.950 2.783 ( -1.174 -1.430 3.334) 3.814 2.898 ( -1.163 -1.260 2.924) 3.389 3.039 ( 1.924 -5.131 3.177) 6.334 3.131 ( 0.736 5.180 0.468) 5.253 3.270 ( -0.551 4.952 -0.954) 5.073 3.381 ( -0.859 -0.253 2.808) 2.947 3.444 ( -0.247 0.085 5.005) 5.012 3.530 ( -1.117 0.560 0.001) 1.249 3.646 ( -2.530 -0.317 -2.356) 3.471 3.792 ( -3.005 2.450 -0.533) 3.913 3.934 ( -0.999 1.731 -0.984) 2.227 4.053 ( 1.229 -4.036 -0.894) 4.312 4.126 ( 0.473 -2.081 -0.214) 2.144 4.213 ( 1.681 0.912 2.121) 2.856 4.313 ( 0.637 -2.353 1.123) 2.684 4.701 ( 2.674 1.724 -0.755) 3.270 4.780 ( 1.976 -1.587 -2.012) 3.235 4.949 ( -2.816 2.392 -0.466) 3.724 5.060 ( -1.291 -2.533 -0.899) 2.982 5.710 ( 1.298 -1.058 -0.533) 1.757 5.815 ( 1.630 -5.441 0.760) 5.730 6.622 ( 0.248 2.945 0.028) 2.955 6.654 ( 0.160 0.894 -1.128) 1.448 8.276 ( -1.241 3.395 0.301) 3.627 8.422 ( -1.027 -2.472 -0.487) 2.721 8.525 ( -0.812 0.566 1.015) 1.417 8.566 ( -0.401 -0.433 -0.565) 0.818 8.710 ( 0.750 1.986 2.028) 2.936 8.880 ( 3.422 -2.215 2.323) 4.692 8.946 ( -0.361 2.515 1.156) 2.791 9.104 ( 1.128 -2.698 0.024) 2.924 9.202 ( -0.730 1.088 -0.097) 1.314 9.256 ( 0.870 -2.217 -0.301) 2.400 9.575 ( -2.088 2.430 -4.964) 5.908 9.652 ( -1.389 0.710 -0.097) 1.563 9.713 ( -1.679 -1.531 -4.151) 4.732 9.788 ( -0.284 -2.738 0.125) 2.755 10.096 ( -1.094 1.387 2.233) 2.848 10.140 ( -0.997 -0.509 1.703) 2.038 10.709 ( -0.789 4.308 0.535) 4.412 10.875 ( -0.896 -3.247 0.126) 3.370 10.988 ( 0.632 0.697 -0.532) 1.081 11.039 ( 0.324 -1.529 -0.102) 1.566 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.124 2.483 -0.261) 2.500 1.237 ( 1.728 1.278 -1.123) 2.425 1.400 ( -0.333 1.810 0.725) 1.978 1.440 ( 3.048 0.032 -1.159) 3.261 1.578 ( 1.117 0.630 -1.663) 2.100 1.617 ( 0.879 0.900 0.196) 1.273 1.860 ( -0.942 0.314 -1.578) 1.865 1.891 ( -1.343 -1.873 1.231) 2.614 2.066 ( -0.579 3.625 -3.062) 4.781 2.179 ( -0.643 1.226 -0.754) 1.577 2.215 ( 2.904 4.871 0.475) 5.691 2.323 ( 0.781 2.466 -3.600) 4.433 2.442 ( 3.889 -1.236 0.591) 4.123 2.473 ( 3.244 -0.564 0.132) 3.295 2.604 ( 0.950 -2.528 -4.543) 5.285 2.651 ( -4.066 1.652 6.728) 8.033 2.739 ( 0.272 -4.922 0.485) 4.953 2.784 ( 2.333 0.006 -0.962) 2.523 2.924 ( 1.619 -1.322 2.276) 3.090 3.096 ( 2.571 -3.601 0.658) 4.474 3.131 ( -1.385 2.297 2.712) 3.814 3.224 ( -2.285 -0.467 -0.218) 2.343 3.417 ( 1.555 2.082 3.643) 4.475 3.461 ( -0.189 0.505 2.871) 2.921 3.524 ( -0.179 2.452 0.198) 2.466 3.606 ( 0.873 1.956 -1.703) 2.737 3.754 ( -0.685 3.633 0.047) 3.697 3.885 ( -3.632 0.786 -1.317) 3.943 4.070 ( 1.207 -3.667 -2.060) 4.376 4.120 ( -1.140 -4.158 1.835) 4.686 4.253 ( 1.583 2.574 0.754) 3.115 4.327 ( 0.402 -1.003 0.570) 1.221 4.750 ( 2.372 1.504 -0.683) 2.890 4.801 ( 0.953 -0.307 -2.154) 2.375 4.904 ( -1.579 1.882 0.251) 2.469 5.032 ( -1.130 -3.431 -0.103) 3.614 5.734 ( 1.176 -1.028 -0.104) 1.566 5.839 ( 0.630 -5.413 0.180) 5.453 6.628 ( 0.251 3.015 0.151) 3.029 6.650 ( -0.054 1.440 -1.049) 1.782 8.247 ( -1.435 3.430 -0.012) 3.719 8.398 ( -0.999 -3.376 -0.613) 3.574 8.521 ( -0.130 1.155 0.895) 1.467 8.563 ( 0.113 -1.111 -0.372) 1.177 8.732 ( 0.546 2.965 1.673) 3.447 8.929 ( 0.914 -3.731 1.692) 4.198 8.956 ( 0.575 3.173 0.604) 3.280 9.124 ( 0.818 -2.729 -0.058) 2.849 9.204 ( 0.847 2.320 1.140) 2.720 9.267 ( 0.098 -1.758 -1.051) 2.050 9.523 ( -0.936 1.564 -2.420) 3.029 9.595 ( -2.958 -1.061 -3.439) 4.658 9.705 ( 1.158 0.932 -0.124) 1.492 9.774 ( -1.265 -1.076 -0.167) 1.669 10.082 ( -0.713 0.400 1.144) 1.406 10.131 ( -0.704 -1.651 1.198) 2.158 10.699 ( -0.422 4.414 0.410) 4.453 10.858 ( -0.659 -2.945 0.027) 3.018 10.998 ( 0.456 0.636 -0.279) 0.830 11.045 ( 0.328 -1.724 -0.063) 1.756 ======================= Grid point 31 (20/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 2.410 0.000) 2.410 1.249 ( 0.000 0.603 -0.000) 0.603 1.396 ( 0.000 1.419 -0.000) 1.419 1.465 ( 0.000 -0.438 -0.000) 0.438 1.603 ( 0.000 -0.969 -0.000) 0.969 1.617 ( -0.000 -1.567 0.000) 1.567 1.847 ( -0.000 0.306 0.000) 0.306 1.879 ( 0.000 -2.120 -0.000) 2.120 2.064 ( 0.000 6.691 -0.000) 6.691 2.147 ( -0.000 6.330 -0.000) 6.330 2.274 ( -0.000 3.126 -0.000) 3.126 2.309 ( 0.000 2.815 0.000) 2.815 2.494 ( -0.000 1.371 0.000) 1.371 2.499 ( 0.000 -3.011 -0.000) 3.011 2.606 ( -0.000 0.976 0.000) 0.976 2.609 ( 0.000 -4.004 -0.000) 4.004 2.752 ( 0.000 -5.338 0.000) 5.338 2.796 ( 0.000 -1.652 -0.000) 1.652 2.953 ( 0.000 1.119 0.000) 1.119 3.090 ( -0.000 -3.082 -0.000) 3.082 3.162 ( -0.000 1.237 0.000) 1.237 3.194 ( 0.000 -2.363 0.000) 2.363 3.435 ( 0.000 0.805 -0.000) 0.805 3.457 ( 0.000 1.022 0.000) 1.022 3.528 ( 0.000 2.735 -0.000) 2.735 3.635 ( 0.000 1.330 -0.000) 1.330 3.773 ( -0.000 3.418 -0.000) 3.418 3.808 ( 0.000 3.643 0.000) 3.643 4.080 ( 0.000 -3.086 -0.000) 3.086 4.110 ( -0.000 -5.450 0.000) 5.450 4.272 ( 0.000 2.938 -0.000) 2.938 4.332 ( 0.000 -0.376 0.000) 0.376 4.776 ( -0.000 1.310 -0.000) 1.310 4.802 ( 0.000 0.397 0.000) 0.397 4.890 ( 0.000 1.515 -0.000) 1.515 5.021 ( 0.000 -3.750 -0.000) 3.750 5.747 ( 0.000 -1.203 0.000) 1.203 5.845 ( 0.000 -5.297 -0.000) 5.297 6.631 ( 0.000 2.974 0.000) 2.974 6.646 ( 0.000 1.773 -0.000) 1.773 8.232 ( 0.000 3.352 0.000) 3.352 8.386 ( 0.000 -3.892 0.000) 3.892 8.522 ( 0.000 1.871 0.000) 1.871 8.564 ( -0.000 -1.751 -0.000) 1.751 8.741 ( 0.000 3.690 0.000) 3.690 8.942 ( 0.000 -4.249 0.000) 4.249 8.961 ( 0.000 3.417 -0.000) 3.417 9.132 ( 0.000 -2.255 0.000) 2.255 9.237 ( 0.000 -0.413 0.000) 0.413 9.245 ( -0.000 1.467 -0.000) 1.467 9.530 ( -0.000 -0.112 -0.000) 0.112 9.534 ( 0.000 -0.697 0.000) 0.697 9.732 ( 0.000 1.260 -0.000) 1.260 9.746 ( 0.000 0.186 0.000) 0.186 10.079 ( 0.000 -0.118 0.000) 0.118 10.126 ( 0.000 -2.334 0.000) 2.334 10.696 ( 0.000 4.416 0.000) 4.416 10.852 ( 0.000 -2.868 -0.000) 2.868 11.002 ( 0.000 0.674 0.000) 0.674 11.049 ( 0.000 -1.824 -0.000) 1.824 ======================= Grid point 36 (21/105) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 -3.350 0.000) 3.350 1.247 ( 0.000 3.350 0.000) 3.350 1.365 ( 0.000 -6.497 0.000) 6.497 1.365 ( 0.000 6.497 0.000) 6.497 1.590 ( 0.000 -10.072 0.000) 10.072 1.590 ( 0.000 10.072 0.000) 10.072 1.835 ( 0.000 -2.203 0.000) 2.203 1.835 ( 0.000 2.203 0.000) 2.203 2.040 ( 0.000 -4.754 0.000) 4.754 2.040 ( 0.000 4.754 0.000) 4.754 2.261 ( 0.000 -2.656 0.000) 2.656 2.261 ( 0.000 2.656 0.000) 2.656 2.360 ( 0.000 -4.182 0.000) 4.182 2.360 ( 0.000 4.182 0.000) 4.182 2.532 ( 0.000 -2.873 0.000) 2.873 2.532 ( 0.000 2.873 0.000) 2.873 2.693 ( 0.000 -1.555 0.000) 1.555 2.693 ( 0.000 1.555 0.000) 1.555 2.984 ( 0.000 -4.778 0.000) 4.778 2.984 ( 0.000 4.778 0.000) 4.778 3.260 ( 0.000 -6.706 0.000) 6.706 3.260 ( 0.000 6.706 0.000) 6.706 3.404 ( 0.000 -9.944 0.000) 9.944 3.404 ( 0.000 9.944 0.000) 9.944 3.604 ( 0.000 -0.310 0.000) 0.310 3.604 ( 0.000 0.310 0.000) 0.310 3.986 ( 0.000 -0.223 0.000) 0.223 3.986 ( 0.000 0.223 0.000) 0.223 4.041 ( 0.000 -6.063 0.000) 6.063 4.041 ( 0.000 6.063 0.000) 6.063 4.181 ( 0.000 -4.361 0.000) 4.361 4.181 ( 0.000 4.361 0.000) 4.361 4.686 ( 0.000 -2.313 0.000) 2.313 4.686 ( 0.000 2.313 0.000) 2.313 5.074 ( 0.000 -0.473 0.000) 0.473 5.074 ( 0.000 0.473 0.000) 0.473 5.683 ( 0.000 -1.385 0.000) 1.385 5.683 ( 0.000 1.385 0.000) 1.385 6.650 ( 0.000 -0.786 0.000) 0.786 6.650 ( 0.000 0.786 0.000) 0.786 8.355 ( 0.000 -4.524 0.000) 4.524 8.355 ( 0.000 4.524 0.000) 4.524 8.608 ( 0.000 -0.263 0.000) 0.263 8.608 ( 0.000 0.263 0.000) 0.263 8.719 ( 0.000 -0.730 0.000) 0.730 8.719 ( 0.000 0.730 0.000) 0.730 9.002 ( 0.000 -2.529 0.000) 2.529 9.002 ( 0.000 2.529 0.000) 2.529 9.222 ( 0.000 -0.743 0.000) 0.743 9.222 ( 0.000 0.743 0.000) 0.743 9.672 ( 0.000 -0.880 0.000) 0.880 9.672 ( 0.000 0.880 0.000) 0.880 9.773 ( 0.000 -1.210 0.000) 1.210 9.773 ( 0.000 1.210 0.000) 1.210 10.140 ( 0.000 -2.446 0.000) 2.446 10.140 ( 0.000 2.446 0.000) 2.446 10.811 ( 0.000 -4.056 0.000) 4.056 10.811 ( 0.000 4.056 0.000) 4.056 11.005 ( 0.000 -1.115 0.000) 1.115 11.005 ( 0.000 1.115 0.000) 1.115 ======================= Grid point 38 (22/105) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.352 -2.559 -0.615) 2.655 1.240 ( -0.352 2.559 -0.615) 2.655 1.386 ( 1.152 -3.935 3.246) 5.230 1.386 ( 1.152 3.935 3.246) 5.230 1.586 ( 0.430 -6.430 -1.002) 6.522 1.586 ( 0.430 6.430 -1.002) 6.522 1.878 ( 2.489 -3.981 -2.281) 5.220 1.878 ( 2.489 3.981 -2.281) 5.220 2.068 ( 3.482 -4.264 -1.236) 5.642 2.068 ( 3.482 4.264 -1.236) 5.642 2.231 ( -1.053 -5.726 0.193) 5.825 2.231 ( -1.053 5.726 0.193) 5.825 2.380 ( 0.550 -3.927 -1.156) 4.131 2.380 ( 0.550 3.927 -1.156) 4.131 2.531 ( 1.937 -0.988 -2.178) 3.078 2.531 ( 1.937 0.988 -2.178) 3.078 2.737 ( 2.679 -4.129 2.776) 5.651 2.737 ( 2.679 4.129 2.776) 5.651 2.954 ( -3.204 -3.952 2.609) 5.717 2.954 ( -3.204 3.952 2.609) 5.717 3.268 ( 0.143 -7.241 0.660) 7.273 3.268 ( 0.143 7.241 0.660) 7.273 3.402 ( -0.346 -6.339 2.392) 6.784 3.402 ( -0.346 6.339 2.392) 6.784 3.596 ( -0.230 -3.389 -2.092) 3.989 3.596 ( -0.230 3.389 -2.092) 3.989 3.952 ( -3.481 -3.895 0.347) 5.235 3.952 ( -3.481 3.895 0.347) 5.235 4.042 ( 0.927 -4.274 -0.506) 4.403 4.042 ( 0.927 4.274 -0.506) 4.403 4.214 ( 2.248 -3.799 1.105) 4.550 4.214 ( 2.248 3.799 1.105) 4.550 4.702 ( 1.701 -2.343 -0.623) 2.962 4.702 ( 1.701 2.343 -0.623) 2.962 5.052 ( -1.841 -1.828 -1.011) 2.784 5.052 ( -1.841 1.828 -1.011) 2.784 5.698 ( 1.331 -2.189 0.235) 2.573 5.698 ( 1.331 2.189 0.235) 2.573 6.653 ( 0.298 -0.780 -0.321) 0.895 6.653 ( 0.298 0.780 -0.321) 0.895 8.360 ( 0.175 -4.348 0.305) 4.362 8.360 ( 0.175 4.348 0.305) 4.362 8.575 ( -2.372 -1.336 -0.059) 2.723 8.575 ( -2.372 1.336 -0.059) 2.723 8.751 ( 2.070 -3.419 1.499) 4.268 8.751 ( 2.070 3.419 1.499) 4.268 9.009 ( 0.665 -3.522 0.063) 3.585 9.009 ( 0.665 3.522 0.063) 3.585 9.222 ( 0.012 -0.738 -0.017) 0.738 9.222 ( 0.012 0.738 -0.017) 0.738 9.667 ( -0.370 -1.361 -1.762) 2.256 9.667 ( -0.370 1.361 -1.762) 2.256 9.751 ( -1.392 -0.845 -1.756) 2.394 9.751 ( -1.392 0.845 -1.756) 2.394 10.137 ( -0.758 -1.790 1.668) 2.562 10.137 ( -0.758 1.790 1.668) 2.562 10.807 ( -0.478 -4.259 0.414) 4.306 10.807 ( -0.478 4.259 0.414) 4.306 11.006 ( 0.159 -1.333 -0.343) 1.386 11.006 ( 0.159 1.333 -0.343) 1.386 ======================= Grid point 40 (23/105) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.462 -0.878 -1.115) 1.492 1.237 ( 0.462 0.878 -1.115) 1.492 1.420 ( 0.872 -1.214 2.058) 2.543 1.420 ( 0.872 1.214 2.058) 2.543 1.599 ( 0.733 -3.006 -0.369) 3.116 1.599 ( 0.733 3.006 -0.369) 3.116 1.878 ( -0.749 -1.526 -2.051) 2.663 1.878 ( -0.749 1.526 -2.051) 2.663 2.122 ( 2.336 -2.406 -3.013) 4.508 2.122 ( 2.336 2.406 -3.013) 4.508 2.263 ( 3.039 -4.998 0.790) 5.903 2.263 ( 3.039 4.998 0.790) 5.903 2.389 ( 2.274 -3.623 -1.720) 4.611 2.389 ( 2.274 3.623 -1.720) 4.611 2.585 ( 3.688 -3.655 -3.307) 6.156 2.585 ( 3.688 3.655 -3.307) 6.156 2.773 ( -1.765 -1.917 4.675) 5.352 2.773 ( -1.765 1.917 4.675) 5.352 2.926 ( 0.622 -5.181 3.077) 6.058 2.926 ( 0.622 5.181 3.077) 6.058 3.245 ( -2.886 -5.363 1.031) 6.177 3.245 ( -2.886 5.363 1.031) 6.177 3.426 ( 1.062 -2.933 4.107) 5.157 3.426 ( 1.062 2.933 4.107) 5.157 3.583 ( 0.203 -4.383 -2.841) 5.227 3.583 ( 0.203 4.383 -2.841) 5.227 3.886 ( -2.898 -5.539 0.094) 6.252 3.886 ( -2.898 5.539 0.094) 6.252 4.057 ( 0.420 -3.537 -0.277) 3.572 4.057 ( 0.420 3.537 -0.277) 3.572 4.260 ( 1.937 -2.862 1.321) 3.700 4.260 ( 1.937 2.862 1.321) 3.700 4.741 ( 2.542 -2.168 -1.212) 3.554 4.741 ( 2.542 2.168 -1.212) 3.554 5.005 ( -2.359 -2.964 -0.899) 3.893 5.005 ( -2.359 2.964 -0.899) 3.893 5.729 ( 1.518 -2.888 0.173) 3.267 5.729 ( 1.518 2.888 0.173) 3.267 6.658 ( 0.365 -0.680 -0.533) 0.937 6.658 ( 0.365 0.680 -0.533) 0.937 8.352 ( -1.098 -4.039 -0.279) 4.195 8.352 ( -1.098 4.039 -0.279) 4.195 8.542 ( -0.888 -1.188 0.575) 1.590 8.542 ( -0.888 1.188 0.575) 1.590 8.795 ( 1.483 -5.134 2.401) 5.858 8.795 ( 1.483 5.134 2.401) 5.858 9.026 ( 1.003 -4.411 -0.350) 4.537 9.026 ( 1.003 4.411 -0.350) 4.537 9.226 ( 0.416 -1.179 0.439) 1.325 9.226 ( 0.416 1.179 0.439) 1.325 9.628 ( -2.189 -2.629 -4.881) 5.961 9.628 ( -2.189 2.629 -4.881) 5.961 9.731 ( -0.044 -2.681 0.098) 2.683 9.731 ( -0.044 2.681 0.098) 2.683 10.122 ( -1.473 -1.201 1.863) 2.662 10.122 ( -1.473 1.201 1.863) 2.662 10.797 ( -0.715 -4.350 0.547) 4.442 10.797 ( -0.715 4.350 0.547) 4.442 11.010 ( 0.405 -1.352 -0.403) 1.468 11.010 ( 0.405 1.352 -0.403) 1.468 ======================= Grid point 42 (24/105) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.517 -0.720 -0.942) 1.294 1.244 ( 0.517 0.720 -0.942) 1.294 1.435 ( 0.334 -1.057 -0.293) 1.146 1.435 ( 0.334 1.057 -0.293) 1.146 1.601 ( -0.320 -1.627 0.047) 1.658 1.601 ( -0.320 1.627 0.047) 1.658 1.855 ( -0.971 -0.827 0.084) 1.278 1.855 ( -0.971 0.827 0.084) 1.278 2.154 ( 2.273 -3.571 -2.558) 4.946 2.154 ( 2.273 3.571 -2.558) 4.946 2.322 ( 2.842 -5.867 1.228) 6.634 2.322 ( 2.842 5.867 1.228) 6.634 2.430 ( 1.417 -5.262 -2.666) 6.067 2.430 ( 1.417 5.262 -2.666) 6.067 2.625 ( 1.801 -4.899 -2.746) 5.898 2.625 ( 1.801 4.899 -2.746) 5.898 2.735 ( -2.805 -4.823 4.432) 7.126 2.735 ( -2.805 4.823 4.432) 7.126 2.983 ( 2.482 -5.822 1.204) 6.443 2.983 ( 2.482 5.822 1.204) 6.443 3.191 ( -2.347 -2.636 1.382) 3.791 3.191 ( -2.347 2.636 1.382) 3.791 3.451 ( -0.336 -1.210 3.009) 3.260 3.451 ( -0.336 1.210 3.009) 3.260 3.590 ( 1.473 -3.125 -1.462) 3.751 3.590 ( 1.473 3.125 -1.462) 3.751 3.847 ( -1.083 -4.560 -0.277) 4.695 3.847 ( -1.083 4.560 -0.277) 4.695 4.053 ( -0.674 -2.167 0.170) 2.275 4.053 ( -0.674 2.167 0.170) 2.275 4.298 ( 1.427 -1.864 0.663) 2.439 4.298 ( 1.427 1.864 0.663) 2.439 4.781 ( 1.892 -1.512 -1.217) 2.711 4.781 ( 1.892 1.512 -1.217) 2.711 4.961 ( -1.669 -3.505 -0.134) 3.884 4.961 ( -1.669 3.505 -0.134) 3.884 5.753 ( 0.880 -2.855 0.037) 2.988 5.753 ( 0.880 2.855 0.037) 2.988 6.662 ( 0.238 -0.445 -0.427) 0.660 6.662 ( 0.238 0.445 -0.427) 0.660 8.322 ( -1.441 -3.987 -0.481) 4.266 8.322 ( -1.441 3.987 -0.481) 4.266 8.539 ( 0.086 -1.015 0.464) 1.119 8.539 ( 0.086 1.015 0.464) 1.119 8.828 ( 0.879 -5.638 2.161) 6.102 8.828 ( 0.879 5.638 2.161) 6.102 9.040 ( 0.548 -4.607 -0.689) 4.691 9.040 ( 0.548 4.607 -0.689) 4.691 9.242 ( 0.827 -1.330 0.937) 1.825 9.242 ( 0.827 1.330 0.937) 1.825 9.561 ( -2.182 -2.050 -4.070) 5.052 9.561 ( -2.182 2.050 -4.070) 5.052 9.741 ( 0.601 -2.123 0.466) 2.256 9.741 ( 0.601 2.123 0.466) 2.256 10.100 ( -1.302 -1.357 1.080) 2.169 10.100 ( -1.302 1.357 1.080) 2.169 10.786 ( -0.501 -4.167 0.364) 4.213 10.786 ( -0.501 4.167 0.364) 4.213 11.016 ( 0.351 -1.178 -0.241) 1.253 11.016 ( 0.351 1.178 -0.241) 1.253 ======================= Grid point 44 (25/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 -0.981 -0.000) 0.981 1.247 ( 0.000 0.981 -0.000) 0.981 1.437 ( 0.000 -2.192 -0.000) 2.192 1.437 ( 0.000 2.192 -0.000) 2.192 1.596 ( 0.000 -0.414 0.000) 0.414 1.596 ( 0.000 0.414 -0.000) 0.414 1.845 ( 0.000 -0.584 0.000) 0.584 1.845 ( 0.000 0.584 -0.000) 0.584 2.175 ( 0.000 -3.392 0.000) 3.392 2.175 ( 0.000 3.392 -0.000) 3.392 2.367 ( 0.000 -3.310 -0.000) 3.310 2.367 ( 0.000 3.310 -0.000) 3.310 2.422 ( 0.000 -3.416 0.000) 3.416 2.422 ( 0.000 3.416 0.000) 3.416 2.638 ( 0.000 -4.830 0.000) 4.830 2.638 ( 0.000 4.830 0.000) 4.830 2.716 ( 0.000 -6.386 -0.000) 6.386 2.716 ( 0.000 6.386 -0.000) 6.386 3.005 ( 0.000 -3.900 -0.000) 3.900 3.005 ( 0.000 3.900 -0.000) 3.900 3.176 ( 0.000 -0.304 0.000) 0.304 3.176 ( 0.000 0.304 0.000) 0.304 3.450 ( 0.000 -0.861 -0.000) 0.861 3.450 ( 0.000 0.861 -0.000) 0.861 3.607 ( 0.000 -3.672 -0.000) 3.672 3.607 ( 0.000 3.672 -0.000) 3.672 3.837 ( 0.000 -1.571 0.000) 1.571 3.837 ( 0.000 1.571 -0.000) 1.571 4.044 ( 0.000 -0.397 -0.000) 0.397 4.044 ( 0.000 0.397 -0.000) 0.397 4.315 ( 0.000 -1.443 0.000) 1.443 4.315 ( 0.000 1.443 -0.000) 1.443 4.798 ( 0.000 -0.796 -0.000) 0.796 4.798 ( 0.000 0.796 -0.000) 0.796 4.944 ( 0.000 -3.658 -0.000) 3.658 4.944 ( 0.000 3.658 -0.000) 3.658 5.762 ( 0.000 -2.657 -0.000) 2.657 5.762 ( 0.000 2.657 -0.000) 2.657 6.663 ( 0.000 -0.255 0.000) 0.255 6.663 ( 0.000 0.255 -0.000) 0.255 8.305 ( 0.000 -3.988 -0.000) 3.988 8.305 ( 0.000 3.988 0.000) 3.988 8.542 ( 0.000 -0.661 -0.000) 0.661 8.542 ( 0.000 0.661 -0.000) 0.661 8.842 ( 0.000 -5.626 0.000) 5.626 8.842 ( 0.000 5.626 0.000) 5.626 9.043 ( 0.000 -4.739 -0.000) 4.739 9.043 ( 0.000 4.739 -0.000) 4.739 9.255 ( 0.000 -0.565 -0.000) 0.565 9.255 ( 0.000 0.565 0.000) 0.565 9.527 ( 0.000 -0.010 0.000) 0.010 9.527 ( 0.000 0.010 0.000) 0.010 9.749 ( 0.000 -0.283 -0.000) 0.283 9.749 ( 0.000 0.283 -0.000) 0.283 10.088 ( 0.000 -1.205 0.000) 1.205 10.088 ( 0.000 1.205 0.000) 1.205 10.782 ( 0.000 -4.057 -0.000) 4.057 10.782 ( 0.000 4.057 0.000) 4.057 11.019 ( 0.000 -1.123 -0.000) 1.123 11.019 ( 0.000 1.123 -0.000) 1.123 ======================= Grid point 81 (26/105) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 6.122 0.000 21.551) 22.404 0.516 ( 5.808 0.000 20.744) 21.541 0.858 ( 4.721 0.000 32.963) 33.300 1.232 ( -2.508 0.000 1.995) 3.204 1.393 ( -1.294 0.000 2.891) 3.167 1.438 ( -2.617 0.000 2.099) 3.355 1.624 ( -2.673 0.000 0.233) 2.683 1.743 ( -1.369 0.000 0.751) 1.561 1.821 ( 0.367 0.000 -8.953) 8.960 2.143 ( -1.074 0.000 0.891) 1.395 2.264 ( -3.325 0.000 -8.902) 9.503 2.323 ( -3.769 0.000 -5.682) 6.818 2.511 ( -1.944 0.000 -4.772) 5.153 2.564 ( -2.212 0.000 2.241) 3.149 2.633 ( -0.202 0.000 4.920) 4.924 2.702 ( 7.895 0.000 1.989) 8.141 2.760 ( 1.705 0.000 3.433) 3.833 2.890 ( -0.235 0.000 -1.474) 1.493 2.900 ( 1.594 0.000 0.733) 1.755 3.012 ( -3.181 0.000 3.965) 5.083 3.038 ( 2.151 0.000 4.253) 4.766 3.111 ( 1.476 0.000 1.460) 2.076 3.286 ( 0.216 0.000 3.073) 3.081 3.418 ( -0.028 0.000 -0.007) 0.029 3.624 ( 0.926 0.000 0.960) 1.334 3.736 ( 4.995 0.000 -7.700) 9.179 3.801 ( -0.680 0.000 -1.370) 1.530 3.924 ( -0.429 0.000 -3.645) 3.670 3.937 ( -3.584 0.000 -0.565) 3.628 4.095 ( 3.437 0.000 2.284) 4.127 4.204 ( -0.223 0.000 -5.269) 5.274 4.507 ( -0.847 0.000 -4.018) 4.107 4.618 ( 1.063 0.000 0.016) 1.063 4.791 ( -2.261 0.000 -5.898) 6.317 4.989 ( 1.825 0.000 1.843) 2.593 5.130 ( -5.265 0.000 5.143) 7.361 5.914 ( -2.131 0.000 -1.599) 2.664 6.018 ( 0.892 0.000 2.309) 2.475 6.365 ( 0.920 0.000 0.116) 0.927 6.594 ( -1.766 0.000 -1.008) 2.034 8.247 ( 0.061 0.000 1.047) 1.049 8.389 ( -1.400 0.000 -0.707) 1.568 8.449 ( 3.210 0.000 2.854) 4.295 8.590 ( -2.069 0.000 -0.884) 2.250 8.662 ( -0.312 0.000 0.597) 0.673 8.903 ( 0.559 0.000 -0.164) 0.582 9.022 ( 1.818 0.000 -2.864) 3.392 9.105 ( 3.180 0.000 1.399) 3.474 9.338 ( 1.093 0.000 -3.176) 3.359 9.404 ( -4.616 0.000 -1.926) 5.002 9.581 ( 3.956 0.000 1.107) 4.108 9.758 ( -1.844 0.000 -3.181) 3.677 9.884 ( -0.247 0.000 1.552) 1.571 9.939 ( 1.814 0.000 -0.032) 1.814 9.984 ( 0.680 0.000 3.195) 3.266 10.062 ( -1.740 0.000 1.652) 2.399 10.546 ( 0.484 0.000 -0.197) 0.522 10.920 ( -1.553 0.000 -0.847) 1.769 10.980 ( -0.933 0.000 0.880) 1.283 11.097 ( -1.685 0.000 -0.272) 1.707 ======================= Grid point 82 (27/105) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 8.553 0.000 17.304) 19.303 0.805 ( 13.331 0.000 17.108) 21.689 1.188 ( -1.632 0.000 0.288) 1.657 1.280 ( 5.873 0.000 0.221) 5.877 1.403 ( 13.812 0.000 19.220) 23.668 1.459 ( 2.016 0.000 4.961) 5.355 1.567 ( -1.011 0.000 -3.848) 3.978 1.712 ( -0.639 0.000 1.115) 1.285 1.842 ( 4.708 0.000 -6.759) 8.237 2.084 ( -5.021 0.000 -1.039) 5.128 2.169 ( -1.463 0.000 -7.442) 7.585 2.233 ( -3.089 0.000 -4.657) 5.588 2.462 ( -1.386 0.000 -1.161) 1.808 2.556 ( 0.182 0.000 2.497) 2.503 2.638 ( -1.243 0.000 2.517) 2.807 2.760 ( -4.600 0.000 1.375) 4.801 2.771 ( 0.014 0.000 -2.055) 2.055 2.881 ( 2.454 0.000 1.960) 3.141 2.948 ( -0.033 0.000 -0.573) 0.574 3.024 ( 3.863 0.000 4.341) 5.811 3.086 ( 1.033 0.000 1.284) 1.648 3.183 ( 3.732 0.000 4.870) 6.135 3.307 ( 0.471 0.000 2.667) 2.709 3.406 ( -0.729 0.000 0.108) 0.736 3.605 ( -2.532 0.000 -0.351) 2.556 3.721 ( -2.569 0.000 -5.372) 5.955 3.807 ( -2.327 0.000 -0.874) 2.486 3.844 ( 1.441 0.000 -3.572) 3.851 3.983 ( 2.141 0.000 0.428) 2.183 4.162 ( 3.484 0.000 -2.681) 4.396 4.192 ( 1.549 0.000 -4.009) 4.298 4.478 ( -0.316 0.000 -1.584) 1.615 4.643 ( 1.093 0.000 1.129) 1.571 4.720 ( -3.400 0.000 -6.485) 7.322 4.983 ( -1.403 0.000 1.206) 1.850 5.130 ( 1.393 0.000 3.893) 4.134 5.887 ( -0.085 0.000 -0.577) 0.583 6.054 ( 1.567 0.000 1.038) 1.880 6.377 ( 0.219 0.000 0.123) 0.251 6.576 ( -0.307 0.000 -1.165) 1.204 8.223 ( -2.584 0.000 1.078) 2.800 8.372 ( -0.368 0.000 -0.024) 0.369 8.543 ( 3.871 0.000 1.450) 4.133 8.565 ( 0.199 0.000 0.733) 0.760 8.672 ( 0.966 0.000 0.919) 1.333 8.914 ( 0.402 0.000 0.319) 0.513 8.983 ( -1.976 0.000 -3.901) 4.373 9.124 ( -1.414 0.000 2.067) 2.504 9.288 ( -4.449 0.000 -4.284) 6.177 9.358 ( 0.650 0.000 0.264) 0.702 9.580 ( -2.988 0.000 2.725) 4.044 9.706 ( -2.694 0.000 -1.445) 3.057 9.854 ( -5.153 0.000 -0.674) 5.197 9.880 ( -1.294 0.000 1.881) 2.283 10.024 ( 0.670 0.000 2.395) 2.487 10.093 ( 3.453 0.000 2.332) 4.167 10.547 ( -0.300 0.000 -0.256) 0.395 10.910 ( 0.633 0.000 0.031) 0.634 10.965 ( -0.825 0.000 0.320) 0.885 11.096 ( 1.017 0.000 0.523) 1.144 ======================= Grid point 83 (28/105) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 10.201 0.000 6.933) 12.334 1.093 ( 8.298 0.000 9.291) 12.457 1.175 ( 1.418 0.000 -0.865) 1.661 1.256 ( -1.063 0.000 1.425) 1.778 1.496 ( 3.019 0.000 2.615) 3.994 1.520 ( -0.424 0.000 -1.538) 1.595 1.660 ( 3.572 0.000 -1.292) 3.798 1.875 ( 3.952 0.000 -0.369) 3.969 1.964 ( -1.522 0.000 -7.852) 7.998 2.045 ( 15.591 0.000 9.513) 18.264 2.140 ( 0.336 0.000 -0.634) 0.718 2.165 ( -1.196 0.000 -2.978) 3.209 2.417 ( -4.425 0.000 -0.607) 4.467 2.564 ( -1.217 0.000 2.671) 2.935 2.601 ( -3.494 0.000 5.433) 6.460 2.734 ( 3.874 0.000 3.316) 5.100 2.771 ( 1.086 0.000 -2.837) 3.038 2.897 ( -0.650 0.000 -0.207) 0.682 2.936 ( -0.462 0.000 -1.594) 1.659 3.072 ( -1.662 0.000 -0.487) 1.732 3.132 ( 3.486 0.000 2.565) 4.329 3.243 ( 1.295 0.000 2.887) 3.165 3.339 ( 0.315 0.000 0.378) 0.492 3.414 ( 2.103 0.000 3.141) 3.780 3.558 ( -1.830 0.000 0.828) 2.009 3.639 ( -3.896 0.000 -1.800) 4.292 3.747 ( -3.971 0.000 1.415) 4.216 3.852 ( 0.444 0.000 -3.042) 3.074 3.995 ( -0.740 0.000 -1.427) 1.608 4.208 ( 1.257 0.000 -2.443) 2.747 4.230 ( 5.085 0.000 -5.901) 7.789 4.454 ( -2.804 0.000 1.174) 3.040 4.649 ( 0.061 0.000 -5.205) 5.205 4.672 ( 1.820 0.000 -0.666) 1.938 4.961 ( -1.657 0.000 0.483) 1.726 5.160 ( 0.123 0.000 1.989) 1.993 5.906 ( 1.924 0.000 0.458) 1.978 6.077 ( 0.584 0.000 0.185) 0.612 6.375 ( -0.238 0.000 -0.695) 0.735 6.562 ( -0.752 0.000 -0.330) 0.821 8.171 ( -2.884 0.000 0.825) 2.999 8.371 ( 0.170 0.000 0.429) 0.461 8.542 ( -1.007 0.000 -0.151) 1.018 8.637 ( 2.973 0.000 0.276) 2.986 8.708 ( 2.058 0.000 1.884) 2.791 8.909 ( -0.992 0.000 -2.356) 2.556 8.945 ( -0.099 0.000 -1.174) 1.178 9.092 ( -2.078 0.000 -1.067) 2.336 9.189 ( -3.336 0.000 -2.850) 4.388 9.384 ( 1.107 0.000 2.848) 3.055 9.549 ( -1.316 0.000 3.947) 4.160 9.635 ( -4.036 0.000 -0.384) 4.054 9.760 ( -3.889 0.000 -1.428) 4.143 9.865 ( -1.028 0.000 1.724) 2.007 10.047 ( 1.104 0.000 -0.098) 1.108 10.168 ( 2.829 0.000 2.549) 3.808 10.537 ( -0.450 0.000 -0.499) 0.672 10.928 ( 0.457 0.000 1.149) 1.237 10.952 ( 0.049 0.000 -1.121) 1.122 11.120 ( 0.973 0.000 0.361) 1.038 ======================= Grid point 84 (29/105) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 5.087 0.000 -3.931) 6.429 1.180 ( 3.262 0.000 1.651) 3.656 1.233 ( 1.840 0.000 -0.281) 1.861 1.286 ( 0.069 0.000 7.222) 7.222 1.493 ( 3.491 0.000 -2.434) 4.256 1.688 ( 9.015 0.000 8.495) 12.387 1.747 ( 4.450 0.000 0.117) 4.452 1.779 ( -6.292 0.000 -3.518) 7.208 1.996 ( 3.833 0.000 -5.222) 6.478 2.063 ( -4.049 0.000 -2.624) 4.825 2.162 ( 0.605 0.000 4.738) 4.777 2.281 ( -4.615 0.000 1.629) 4.894 2.391 ( 9.489 0.000 0.904) 9.532 2.522 ( -2.927 0.000 -0.156) 2.931 2.595 ( -0.436 0.000 6.396) 6.411 2.775 ( -0.563 0.000 -2.137) 2.210 2.809 ( -1.050 0.000 -1.503) 1.833 2.878 ( -2.436 0.000 -0.460) 2.479 2.992 ( 9.185 0.000 3.791) 9.937 3.046 ( 0.968 0.000 -3.211) 3.354 3.184 ( 0.525 0.000 0.955) 1.089 3.248 ( -3.628 0.000 0.872) 3.731 3.335 ( 1.579 0.000 -1.268) 2.025 3.469 ( -0.594 0.000 4.491) 4.530 3.512 ( -3.672 0.000 -0.450) 3.699 3.621 ( 3.509 0.000 4.361) 5.598 3.676 ( -3.040 0.000 1.454) 3.370 3.789 ( -6.206 0.000 -2.036) 6.531 3.990 ( 1.641 0.000 -1.275) 2.079 4.204 ( -0.018 0.000 -3.693) 3.693 4.293 ( 2.037 0.000 -3.238) 3.826 4.409 ( -0.420 0.000 -0.742) 0.853 4.656 ( 1.391 0.000 -2.145) 2.556 4.724 ( 4.103 0.000 -2.265) 4.687 4.915 ( -3.148 0.000 0.395) 3.173 5.158 ( -0.645 0.000 0.694) 0.948 5.952 ( 1.942 0.000 0.822) 2.109 6.082 ( 0.016 0.000 -0.140) 0.141 6.363 ( -0.435 0.000 -1.570) 1.629 6.553 ( -0.172 0.000 1.287) 1.299 8.124 ( -2.106 0.000 0.256) 2.122 8.379 ( 0.315 0.000 0.667) 0.737 8.517 ( -1.381 0.000 0.290) 1.411 8.671 ( 1.208 0.000 -1.941) 2.286 8.742 ( 0.151 0.000 0.002) 0.151 8.877 ( -0.174 0.000 -2.463) 2.469 8.964 ( 1.422 0.000 1.500) 2.067 9.033 ( -2.216 0.000 -5.407) 5.844 9.152 ( -0.298 0.000 0.594) 0.665 9.420 ( 0.853 0.000 5.029) 5.100 9.545 ( -1.251 0.000 0.193) 1.266 9.554 ( -3.500 0.000 0.266) 3.510 9.705 ( -0.884 0.000 0.933) 1.285 9.859 ( -0.416 0.000 2.125) 2.165 10.060 ( 0.466 0.000 -1.593) 1.660 10.217 ( 1.081 0.000 1.905) 2.190 10.529 ( -0.157 0.000 -0.537) 0.560 10.921 ( -0.734 0.000 -0.791) 1.079 10.972 ( 1.297 0.000 1.196) 1.764 11.133 ( 0.226 0.000 -0.251) 0.338 ======================= Grid point 85 (30/105) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -1.370 0.000 -2.977) 3.277 1.208 ( -3.163 0.000 -0.769) 3.255 1.261 ( 0.714 0.000 1.987) 2.112 1.361 ( 7.807 0.000 3.080) 8.393 1.574 ( 2.181 0.000 -1.531) 2.665 1.591 ( -7.986 0.000 -3.921) 8.896 1.853 ( 1.432 0.000 2.485) 2.868 1.860 ( 2.701 0.000 7.220) 7.709 1.992 ( -0.141 0.000 -3.083) 3.086 2.029 ( 4.109 0.000 1.757) 4.469 2.184 ( -0.693 0.000 5.147) 5.194 2.252 ( 0.613 0.000 3.440) 3.494 2.477 ( -0.860 0.000 0.287) 0.907 2.564 ( 5.127 0.000 2.234) 5.592 2.582 ( -2.071 0.000 -4.835) 5.259 2.668 ( -6.709 0.000 -0.156) 6.710 2.813 ( 2.129 0.000 0.969) 2.339 2.878 ( 1.054 0.000 0.699) 1.265 3.060 ( -2.350 0.000 -2.153) 3.187 3.073 ( -6.035 0.000 -3.429) 6.942 3.160 ( 4.049 0.000 -0.622) 4.096 3.183 ( -1.172 0.000 -1.112) 1.616 3.351 ( -2.022 0.000 3.078) 3.682 3.412 ( -2.738 0.000 -0.580) 2.798 3.469 ( -0.572 0.000 -1.457) 1.565 3.585 ( -6.813 0.000 -0.117) 6.814 3.715 ( 0.388 0.000 4.270) 4.288 3.786 ( 7.892 0.000 6.025) 9.929 4.017 ( 0.885 0.000 -0.461) 0.998 4.188 ( 0.422 0.000 -4.688) 4.707 4.283 ( -0.344 0.000 -2.389) 2.414 4.419 ( 0.062 0.000 -1.211) 1.213 4.675 ( 1.373 0.000 -2.484) 2.839 4.799 ( 4.058 0.000 -0.724) 4.122 4.857 ( -2.071 0.000 -0.406) 2.111 5.150 ( -0.214 0.000 0.284) 0.355 5.976 ( 0.177 0.000 0.691) 0.713 6.082 ( -0.015 0.000 -0.103) 0.104 6.348 ( -0.307 0.000 -1.807) 1.833 6.571 ( 1.176 0.000 2.291) 2.575 8.096 ( -0.582 0.000 -0.210) 0.618 8.384 ( -0.130 0.000 0.523) 0.539 8.502 ( -0.021 0.000 0.524) 0.524 8.662 ( -1.082 0.000 -4.339) 4.471 8.724 ( -0.997 0.000 -0.011) 0.997 8.891 ( 1.526 0.000 0.149) 1.533 8.960 ( -1.949 0.000 -5.874) 6.189 9.005 ( 0.999 0.000 1.113) 1.495 9.168 ( 1.539 0.000 0.689) 1.686 9.450 ( -0.302 0.000 4.628) 4.638 9.475 ( -3.201 0.000 -1.482) 3.527 9.541 ( 0.861 0.000 0.774) 1.158 9.735 ( 2.222 0.000 3.001) 3.734 9.866 ( 0.143 0.000 2.345) 2.349 10.049 ( -0.710 0.000 -2.303) 2.410 10.225 ( -0.897 0.000 1.221) 1.515 10.527 ( 0.164 0.000 -0.483) 0.510 10.905 ( -0.421 0.000 -1.030) 1.113 11.002 ( 1.075 0.000 2.053) 2.317 11.127 ( -0.539 0.000 -0.934) 1.079 ======================= Grid point 86 (31/105) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -10.726 0.000 -4.071) 11.472 1.132 ( -4.912 0.000 0.832) 4.982 1.256 ( -1.418 0.000 1.054) 1.767 1.440 ( -6.431 0.000 -1.369) 6.575 1.526 ( -4.240 0.000 3.153) 5.284 1.548 ( 7.661 0.000 2.535) 8.069 1.805 ( -4.605 0.000 4.530) 6.460 1.918 ( 3.102 0.000 -1.240) 3.341 2.041 ( 0.248 0.000 0.215) 0.328 2.153 ( 1.127 0.000 2.678) 2.906 2.192 ( 4.052 0.000 0.167) 4.055 2.292 ( -2.318 0.000 5.225) 5.716 2.356 ( -9.698 0.000 0.088) 9.698 2.506 ( 1.695 0.000 0.753) 1.854 2.567 ( -2.193 0.000 -7.029) 7.363 2.669 ( 1.355 0.000 6.475) 6.615 2.724 ( -8.984 0.000 -2.212) 9.252 2.934 ( 1.046 0.000 2.633) 2.833 2.950 ( 1.541 0.000 -1.072) 1.877 3.111 ( -3.542 0.000 -2.020) 4.078 3.127 ( 5.674 0.000 -2.933) 6.387 3.208 ( -0.619 0.000 -1.111) 1.272 3.285 ( -4.519 0.000 3.437) 5.678 3.399 ( -0.657 0.000 0.105) 0.665 3.459 ( 0.480 0.000 -1.677) 1.745 3.518 ( 1.392 0.000 -0.791) 1.600 3.760 ( 1.461 0.000 4.737) 4.957 3.909 ( 2.212 0.000 2.010) 2.989 4.020 ( -0.192 0.000 -0.294) 0.351 4.184 ( 1.184 0.000 -4.859) 5.001 4.292 ( 2.556 0.000 -3.154) 4.059 4.374 ( -3.809 0.000 -0.486) 3.840 4.676 ( -0.449 0.000 -2.338) 2.381 4.845 ( 0.908 0.000 -0.141) 0.919 4.873 ( 3.389 0.000 -0.061) 3.389 5.157 ( 0.801 0.000 0.743) 1.092 5.973 ( -0.541 0.000 1.411) 1.511 6.074 ( -0.827 0.000 -0.457) 0.945 6.339 ( 0.126 0.000 -1.608) 1.613 6.609 ( 1.580 0.000 1.863) 2.442 8.103 ( 1.353 0.000 -0.149) 1.361 8.382 ( -0.196 0.000 0.689) 0.716 8.524 ( 1.915 0.000 0.686) 2.034 8.603 ( -2.625 0.000 -3.931) 4.727 8.707 ( -1.198 0.000 0.908) 1.503 8.883 ( -2.693 0.000 -5.569) 6.186 8.924 ( 0.398 0.000 0.899) 0.983 9.021 ( 0.857 0.000 -1.100) 1.395 9.211 ( 2.446 0.000 -0.131) 2.450 9.423 ( -1.099 0.000 -0.640) 1.272 9.463 ( 0.083 0.000 3.980) 3.981 9.598 ( 3.765 0.000 2.439) 4.486 9.789 ( 1.866 0.000 1.665) 2.500 9.883 ( 0.581 0.000 2.093) 2.172 10.013 ( -2.038 0.000 -2.177) 2.982 10.198 ( -2.270 0.000 1.254) 2.593 10.530 ( 0.358 0.000 -0.503) 0.617 10.897 ( 0.079 0.000 -0.625) 0.630 11.029 ( 0.705 0.000 2.337) 2.441 11.105 ( -1.089 0.000 -1.407) 1.780 ======================= Grid point 87 (32/105) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -15.648 0.000 -0.609) 15.659 0.953 ( -15.739 0.000 4.397) 16.342 1.238 ( -1.328 0.000 1.718) 2.172 1.272 ( -8.164 0.000 -6.083) 10.181 1.509 ( -1.347 0.000 6.748) 6.881 1.681 ( 3.650 0.000 1.999) 4.161 1.723 ( -22.518 0.000 9.100) 24.287 1.748 ( -6.866 0.000 1.212) 6.972 1.945 ( -0.551 0.000 -4.245) 4.281 2.110 ( 0.624 0.000 -0.507) 0.804 2.236 ( 1.514 0.000 2.136) 2.618 2.332 ( 5.924 0.000 1.800) 6.192 2.437 ( 4.681 0.000 3.600) 5.905 2.504 ( 1.569 0.000 -6.131) 6.328 2.558 ( 1.641 0.000 -4.822) 5.094 2.637 ( 0.966 0.000 2.176) 2.381 2.698 ( -1.289 0.000 7.961) 8.065 2.925 ( -1.733 0.000 1.019) 2.011 2.963 ( -0.612 0.000 -4.970) 5.007 3.009 ( -5.110 0.000 0.218) 5.115 3.142 ( -3.839 0.000 0.430) 3.863 3.198 ( -3.599 0.000 0.886) 3.706 3.276 ( 3.718 0.000 3.956) 5.429 3.371 ( -0.518 0.000 -0.317) 0.607 3.519 ( 4.787 0.000 -1.676) 5.072 3.572 ( 4.427 0.000 -3.751) 5.803 3.797 ( 0.641 0.000 2.711) 2.786 3.933 ( 0.801 0.000 1.232) 1.469 3.996 ( -1.456 0.000 -2.708) 3.074 4.181 ( -0.262 0.000 -4.190) 4.199 4.274 ( -3.665 0.000 -2.509) 4.442 4.371 ( 4.855 0.000 -1.437) 5.063 4.644 ( -1.629 0.000 -1.340) 2.109 4.871 ( 1.538 0.000 -0.037) 1.539 4.926 ( 1.937 0.000 -1.207) 2.282 5.182 ( 0.826 0.000 2.524) 2.655 5.976 ( 0.016 0.000 2.433) 2.433 6.042 ( -2.080 0.000 -1.182) 2.393 6.338 ( 0.474 0.000 -1.349) 1.430 6.642 ( 1.157 0.000 0.485) 1.254 8.146 ( 2.886 0.000 0.393) 2.912 8.386 ( 0.280 0.000 0.977) 1.016 8.521 ( -2.984 0.000 -3.248) 4.410 8.596 ( 3.522 0.000 2.844) 4.527 8.686 ( -1.202 0.000 2.161) 2.473 8.795 ( -4.035 0.000 -4.100) 5.753 8.917 ( -0.864 0.000 -0.876) 1.231 9.044 ( 1.865 0.000 -1.316) 2.282 9.255 ( 2.501 0.000 -1.386) 2.859 9.426 ( 0.764 0.000 2.060) 2.197 9.491 ( 0.852 0.000 2.980) 3.099 9.692 ( 4.759 0.000 1.656) 5.039 9.819 ( 1.090 0.000 0.119) 1.097 9.903 ( 0.594 0.000 1.043) 1.200 9.956 ( -2.928 0.000 -0.610) 2.991 10.154 ( -2.849 0.000 2.097) 3.538 10.535 ( 0.384 0.000 -0.613) 0.723 10.905 ( 0.839 0.000 0.148) 0.852 11.039 ( -0.899 0.000 0.459) 1.010 11.085 ( 0.017 0.000 0.244) 0.245 ======================= Grid point 88 (33/105) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -10.191 0.000 12.385) 16.039 0.589 ( -21.372 0.000 7.429) 22.627 0.964 ( -20.284 0.000 14.279) 24.806 1.248 ( -0.206 0.000 3.102) 3.109 1.425 ( -6.723 0.000 5.669) 8.794 1.496 ( -3.085 0.000 4.451) 5.416 1.675 ( -2.718 0.000 -0.527) 2.768 1.746 ( 0.179 0.000 2.660) 2.666 1.884 ( -2.267 0.000 -6.863) 7.227 2.138 ( 1.177 0.000 0.116) 1.183 2.292 ( 2.673 0.000 -1.235) 2.945 2.388 ( -0.036 0.000 -2.999) 3.000 2.515 ( 4.319 0.000 2.595) 5.038 2.548 ( 1.637 0.000 -6.022) 6.240 2.570 ( 2.459 0.000 1.425) 2.842 2.698 ( -1.825 0.000 1.508) 2.367 2.714 ( 1.697 0.000 4.154) 4.487 2.831 ( -2.782 0.000 1.358) 3.096 2.922 ( -0.255 0.000 -1.639) 1.659 2.994 ( 0.337 0.000 3.145) 3.163 3.074 ( -3.676 0.000 1.888) 4.133 3.124 ( -3.208 0.000 0.608) 3.265 3.293 ( -1.772 0.000 1.968) 2.648 3.402 ( 1.680 0.000 1.027) 1.969 3.592 ( 2.544 0.000 -0.232) 2.555 3.653 ( 6.243 0.000 -7.388) 9.672 3.815 ( 0.453 0.000 0.026) 0.453 3.916 ( -1.570 0.000 -1.159) 1.952 4.010 ( 2.699 0.000 0.853) 2.831 4.096 ( -6.282 0.000 -2.180) 6.649 4.226 ( -0.009 0.000 -4.843) 4.843 4.471 ( 5.338 0.000 -2.043) 5.716 4.615 ( -0.678 0.000 -0.598) 0.904 4.884 ( -0.917 0.000 -7.469) 7.525 4.936 ( 0.783 0.000 2.207) 2.342 5.197 ( -1.447 0.000 3.593) 3.873 5.974 ( -2.168 0.000 -1.787) 2.809 6.004 ( -0.391 0.000 2.050) 2.087 6.346 ( 0.864 0.000 -0.705) 1.116 6.645 ( -1.082 0.000 -2.097) 2.360 8.209 ( 2.943 0.000 0.928) 3.086 8.400 ( 0.760 0.000 0.723) 1.049 8.446 ( -3.193 0.000 -1.414) 3.492 8.636 ( -1.085 0.000 -1.267) 1.668 8.694 ( -3.300 0.000 -0.777) 3.390 8.801 ( 11.183 0.000 10.762) 15.520 8.902 ( 0.040 0.000 -0.839) 0.840 9.070 ( 1.299 0.000 -1.344) 1.869 9.302 ( 3.076 0.000 -1.935) 3.634 9.456 ( 0.599 0.000 3.000) 3.059 9.503 ( -0.120 0.000 1.260) 1.265 9.773 ( 2.624 0.000 -2.364) 3.532 9.853 ( 2.835 0.000 1.731) 3.322 9.889 ( -1.518 0.000 0.463) 1.587 9.941 ( 1.281 0.000 3.151) 3.402 10.106 ( -3.100 0.000 2.553) 4.016 10.539 ( 0.349 0.000 -0.578) 0.676 10.928 ( 1.030 0.000 0.585) 1.185 11.005 ( -1.643 0.000 -1.713) 2.373 11.107 ( 1.123 0.000 1.238) 1.671 ======================= Grid point 89 (34/105) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.065 14.486 13.719) 19.952 0.676 ( -1.066 13.140 15.352) 20.236 1.072 ( 8.575 14.533 15.353) 22.813 1.235 ( -1.733 0.772 1.829) 2.636 1.407 ( 0.131 1.764 4.520) 4.854 1.490 ( -3.348 3.986 2.710) 5.868 1.648 ( -2.715 2.377 1.545) 3.925 1.800 ( -0.786 2.801 -4.170) 5.084 1.872 ( -0.031 4.983 -6.465) 8.162 2.145 ( -2.333 0.012 -0.873) 2.491 2.228 ( -2.430 -1.854 -6.704) 7.368 2.318 ( -2.778 -1.159 -5.560) 6.323 2.465 ( -2.448 -3.927 0.838) 4.703 2.588 ( -0.883 1.156 -0.493) 1.536 2.594 ( 1.857 -2.788 3.245) 4.664 2.680 ( 2.811 -4.972 2.110) 6.089 2.729 ( 4.378 -0.579 5.027) 6.691 2.865 ( 0.963 -0.669 -4.148) 4.310 2.919 ( -0.866 -1.429 4.024) 4.357 2.991 ( 0.590 1.027 2.927) 3.157 3.053 ( -1.167 -0.547 1.814) 2.226 3.128 ( 0.371 2.949 3.174) 4.349 3.317 ( -0.360 1.310 -2.042) 2.453 3.448 ( 1.246 3.842 3.766) 5.522 3.629 ( 0.737 0.046 0.620) 0.964 3.730 ( 4.891 -0.144 -6.672) 8.274 3.801 ( -0.978 -0.195 -1.394) 1.714 3.928 ( -2.949 0.298 -3.790) 4.812 3.953 ( -1.596 1.548 0.258) 2.239 4.078 ( 3.030 -1.403 1.946) 3.865 4.203 ( 0.119 -0.152 -4.399) 4.403 4.463 ( 0.394 -3.467 -1.661) 3.864 4.607 ( 1.032 -0.951 -0.722) 1.578 4.756 ( -1.557 -2.784 -5.965) 6.764 5.016 ( 1.361 2.191 1.913) 3.211 5.122 ( -4.084 -0.446 5.135) 6.576 5.858 ( -1.915 -4.970 -2.250) 5.782 5.978 ( 1.256 -3.664 2.447) 4.582 6.439 ( 0.593 5.421 -0.738) 5.503 6.602 ( -1.182 0.841 -0.842) 1.677 8.246 ( 0.540 -0.081 0.124) 0.560 8.410 ( -0.711 1.946 -0.722) 2.195 8.493 ( 1.266 3.302 2.045) 4.085 8.595 ( -0.613 0.023 -0.147) 0.631 8.640 ( -0.399 -0.756 -0.005) 0.854 8.827 ( 2.026 -4.064 5.042) 6.785 9.051 ( 1.981 -2.735 0.498) 3.414 9.070 ( 0.723 1.966 -1.516) 2.586 9.306 ( 0.732 -3.058 -2.990) 4.339 9.373 ( -3.320 -2.595 -1.315) 4.414 9.554 ( 1.301 -0.963 2.700) 3.148 9.743 ( -2.263 -1.731 -3.339) 4.389 9.838 ( -0.682 -2.145 -1.113) 2.511 9.907 ( -0.577 -2.145 2.729) 3.518 10.004 ( 2.961 2.500 4.512) 5.947 10.133 ( -0.726 3.202 -1.231) 3.506 10.607 ( 0.267 3.493 -1.621) 3.860 10.928 ( -0.492 -0.024 -0.825) 0.961 10.995 ( -1.274 0.939 -1.400) 2.113 11.079 ( -0.262 -1.563 0.092) 1.587 ======================= Grid point 90 (35/105) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 7.173 7.285 13.474) 16.914 0.846 ( 11.102 6.856 12.754) 18.246 1.194 ( -1.135 0.757 -0.520) 1.460 1.318 ( 2.369 2.800 -0.867) 3.769 1.464 ( -0.278 1.787 3.142) 3.625 1.511 ( 6.337 0.696 2.892) 7.000 1.627 ( 3.870 10.638 6.970) 13.294 1.794 ( 3.278 6.768 2.858) 8.045 1.865 ( 2.906 2.389 -6.698) 7.682 2.067 ( -3.858 -1.234 -1.660) 4.378 2.175 ( -0.821 0.463 -3.728) 3.845 2.227 ( -3.763 -0.477 -5.055) 6.319 2.441 ( -0.648 -2.351 2.182) 3.273 2.548 ( -1.803 0.158 0.122) 1.814 2.630 ( -0.044 -0.861 2.251) 2.410 2.718 ( 0.213 -3.142 -0.437) 3.180 2.806 ( -0.354 -1.622 2.223) 2.774 2.850 ( 0.230 0.495 1.592) 1.683 2.947 ( 0.996 -3.255 0.005) 3.404 2.996 ( 1.077 1.617 1.407) 2.399 3.084 ( 2.518 -0.779 2.667) 3.750 3.187 ( 3.121 0.657 4.140) 5.227 3.304 ( -0.028 0.354 -0.618) 0.713 3.469 ( -0.533 4.991 2.607) 5.656 3.605 ( -2.843 0.010 0.286) 2.858 3.721 ( -2.808 0.045 -3.733) 4.672 3.817 ( -0.430 0.068 -1.998) 2.045 3.833 ( -0.442 -0.308 -2.790) 2.842 3.994 ( 2.559 1.221 0.373) 2.860 4.131 ( 2.549 -2.274 -1.816) 3.869 4.206 ( 2.192 0.633 -4.252) 4.825 4.455 ( -0.327 -2.335 -0.761) 2.478 4.632 ( 1.367 -0.947 0.503) 1.737 4.701 ( -1.700 -1.547 -7.133) 7.494 4.994 ( -2.708 1.013 1.764) 3.387 5.126 ( 1.104 -0.402 3.641) 3.825 5.830 ( -0.019 -4.839 -0.872) 4.917 6.016 ( 1.529 -3.613 1.250) 4.118 6.440 ( -0.111 5.163 -0.308) 5.173 6.587 ( -0.302 1.013 -1.021) 1.470 8.233 ( -1.871 0.869 0.562) 2.138 8.394 ( -0.537 2.162 -0.349) 2.254 8.535 ( 1.615 -0.336 1.563) 2.273 8.581 ( -0.223 0.209 0.865) 0.917 8.669 ( 2.466 0.973 -0.183) 2.657 8.872 ( 1.124 -3.060 2.620) 4.182 9.033 ( -1.771 3.396 -3.592) 5.251 9.089 ( 0.331 -2.747 2.749) 3.900 9.257 ( -4.277 -2.171 -4.373) 6.491 9.334 ( 0.486 -2.306 0.093) 2.358 9.564 ( -1.391 -1.006 2.814) 3.296 9.689 ( -2.283 -1.649 -1.410) 3.150 9.803 ( -2.155 -3.331 -1.749) 4.336 9.887 ( -2.202 -0.146 2.083) 3.035 10.068 ( 0.381 2.489 2.306) 3.414 10.114 ( 1.234 2.259 0.902) 2.728 10.589 ( -1.118 3.264 -0.539) 3.492 10.923 ( 0.267 0.697 -0.687) 1.015 10.964 ( -0.932 -0.034 -0.217) 0.957 11.088 ( 0.909 -0.866 0.345) 1.302 ======================= Grid point 91 (36/105) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 9.527 4.168 4.702) 11.412 1.102 ( 8.086 0.964 6.338) 10.318 1.188 ( 1.505 2.109 -0.916) 2.748 1.318 ( 0.423 5.154 2.449) 5.722 1.475 ( 1.367 -1.855 1.759) 2.899 1.512 ( -0.545 -0.942 -2.495) 2.722 1.699 ( 1.571 5.480 0.021) 5.700 1.899 ( 1.415 0.315 -2.974) 3.308 1.995 ( -0.477 2.027 -6.087) 6.433 2.076 ( 8.521 1.543 3.637) 9.392 2.147 ( -1.012 0.681 0.679) 1.396 2.190 ( 5.754 4.011 1.094) 7.099 2.432 ( -2.498 0.924 0.468) 2.704 2.516 ( -1.518 -3.268 3.042) 4.716 2.606 ( -3.116 0.002 2.593) 4.054 2.739 ( 2.740 -1.361 -0.312) 3.075 2.804 ( 1.477 2.743 4.939) 5.840 2.858 ( -0.974 -1.659 -0.164) 1.930 2.945 ( 0.825 -0.246 -2.135) 2.302 3.055 ( 2.204 -0.712 -0.220) 2.326 3.123 ( 0.432 -0.725 1.145) 1.423 3.235 ( 1.195 -1.027 3.360) 3.711 3.345 ( 2.585 0.952 1.531) 3.151 3.458 ( -0.866 3.973 1.602) 4.371 3.545 ( -2.878 -0.707 0.625) 3.029 3.647 ( -3.268 0.418 0.226) 3.302 3.750 ( -4.197 -0.467 0.109) 4.225 3.844 ( 0.342 0.166 -2.782) 2.808 4.026 ( 0.682 2.654 -1.160) 2.975 4.168 ( 2.093 -2.941 -2.925) 4.647 4.245 ( 3.736 0.493 -4.911) 6.190 4.430 ( -2.719 -2.204 1.268) 3.723 4.650 ( 0.801 0.069 -4.013) 4.093 4.668 ( 1.946 -0.251 -2.540) 3.210 4.956 ( -2.116 -0.348 0.944) 2.344 5.149 ( -0.128 -1.058 1.942) 2.215 5.849 ( 1.899 -4.792 0.328) 5.165 6.041 ( 0.622 -3.569 0.230) 3.630 6.435 ( -0.241 5.019 -0.761) 5.082 6.576 ( -0.549 1.291 -0.184) 1.415 8.189 ( -2.606 1.590 0.454) 3.086 8.389 ( 0.048 1.803 0.241) 1.820 8.540 ( -1.026 -0.170 0.016) 1.040 8.616 ( 2.415 -2.103 2.290) 3.937 8.704 ( 1.150 0.278 -1.540) 1.942 8.896 ( 0.528 -1.625 0.249) 1.727 8.987 ( -1.253 3.945 -2.084) 4.634 9.101 ( 0.248 0.131 0.601) 0.663 9.156 ( -3.641 -1.938 -3.692) 5.535 9.358 ( 1.199 -2.369 2.239) 3.473 9.553 ( -0.729 0.090 3.608) 3.682 9.630 ( -3.463 -0.634 -0.348) 3.538 9.745 ( -2.681 -1.885 -1.975) 3.827 9.853 ( -1.889 -0.536 1.939) 2.760 10.066 ( 0.039 1.439 -0.551) 1.541 10.168 ( 2.267 0.088 2.207) 3.165 10.568 ( -0.794 2.821 -0.200) 2.937 10.925 ( -0.219 -0.414 0.365) 0.594 10.958 ( 0.531 0.533 -0.661) 1.002 11.108 ( 0.839 -1.192 0.265) 1.482 ======================= Grid point 92 (37/105) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 3.291 1.384 -2.799) 4.537 1.198 ( 3.927 0.416 -1.360) 4.177 1.239 ( 3.130 3.197 1.739) 4.801 1.366 ( -0.184 5.956 5.278) 7.960 1.484 ( 3.675 -1.019 -2.415) 4.514 1.621 ( 7.766 -5.282 5.087) 10.681 1.758 ( 3.208 3.154 2.291) 5.048 1.814 ( -5.728 2.937 -3.299) 7.233 1.998 ( 0.583 -1.767 -4.407) 4.783 2.094 ( -0.848 1.302 -0.855) 1.773 2.176 ( 2.040 3.547 3.687) 5.507 2.293 ( -2.661 0.953 1.203) 3.072 2.406 ( 2.631 -0.012 -0.361) 2.656 2.522 ( 1.780 0.660 1.112) 2.200 2.578 ( -1.404 -0.748 4.268) 4.555 2.753 ( -0.624 -4.146 -3.587) 5.518 2.815 ( -1.101 2.268 0.335) 2.543 2.903 ( -0.223 1.780 1.730) 2.493 2.989 ( 5.095 -0.810 3.340) 6.145 3.068 ( 2.405 2.391 -4.110) 5.329 3.138 ( 0.327 -3.588 1.173) 3.789 3.257 ( -2.890 0.494 1.092) 3.129 3.371 ( 1.803 2.800 -0.225) 3.338 3.463 ( -1.193 -1.295 1.319) 2.200 3.496 ( -2.747 0.496 2.055) 3.466 3.634 ( 1.475 0.327 4.451) 4.700 3.686 ( -1.121 0.878 1.942) 2.408 3.777 ( -6.269 -0.010 -2.741) 6.842 4.040 ( 1.715 3.942 -1.105) 4.438 4.177 ( 0.405 -2.449 -3.620) 4.390 4.295 ( 2.068 0.045 -3.047) 3.683 4.381 ( -1.342 -2.462 -0.087) 2.805 4.664 ( 1.576 0.670 -2.480) 3.014 4.719 ( 4.078 -0.416 -2.531) 4.818 4.911 ( -2.812 -0.339 0.414) 2.862 5.143 ( -0.760 -1.401 0.722) 1.750 5.892 ( 1.774 -4.980 0.692) 5.332 6.045 ( 0.043 -3.510 -0.238) 3.518 6.425 ( -0.261 5.203 -1.402) 5.395 6.571 ( -0.003 1.715 1.358) 2.188 8.144 ( -1.974 1.830 0.019) 2.692 8.397 ( 0.422 1.746 0.597) 1.893 8.513 ( -1.630 -0.401 0.516) 1.756 8.659 ( 0.805 -1.948 -1.895) 2.834 8.712 ( 0.913 -1.243 0.718) 1.701 8.885 ( -0.584 -1.057 -3.241) 3.458 8.972 ( -0.228 3.114 -0.595) 3.178 9.084 ( -0.775 3.229 -3.376) 4.735 9.121 ( 0.155 -2.201 0.867) 2.370 9.397 ( 1.329 -2.191 4.402) 5.094 9.551 ( -2.565 0.189 -0.984) 2.753 9.564 ( -1.622 0.751 2.291) 2.906 9.703 ( -0.539 -0.360 0.557) 0.855 9.836 ( -0.760 -1.754 2.431) 3.092 10.062 ( 0.007 0.242 -2.022) 2.037 10.206 ( 0.788 -1.042 1.324) 1.860 10.556 ( -0.384 2.560 -0.188) 2.595 10.916 ( -0.531 -0.533 -0.448) 0.875 10.976 ( 1.061 0.429 0.817) 1.407 11.119 ( 0.228 -1.303 -0.251) 1.347 ======================= Grid point 93 (38/105) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -0.210 1.149 -2.089) 2.393 1.207 ( -1.617 0.470 -1.064) 1.991 1.352 ( 0.960 4.730 2.666) 5.514 1.374 ( 5.415 3.003 0.413) 6.206 1.563 ( 0.962 -0.145 -0.638) 1.164 1.634 ( -5.321 4.176 -2.968) 7.387 1.773 ( 2.727 -5.154 3.921) 7.026 1.868 ( 3.341 0.797 2.194) 4.075 1.986 ( 1.825 -0.881 -1.211) 2.361 2.062 ( -1.610 0.642 4.283) 4.620 2.194 ( -1.454 2.503 1.849) 3.435 2.294 ( 1.638 3.534 4.033) 5.606 2.437 ( 1.696 -3.049 -0.415) 3.513 2.546 ( -3.128 -1.854 -0.266) 3.646 2.600 ( 2.587 1.988 -1.041) 3.425 2.691 ( -2.909 0.691 -1.892) 3.538 2.827 ( 2.204 2.007 1.716) 3.440 2.888 ( -1.441 -0.639 2.664) 3.096 3.024 ( -2.162 -0.879 -3.064) 3.852 3.109 ( -2.994 0.551 -2.526) 3.956 3.129 ( -1.049 -2.508 -0.086) 2.719 3.183 ( 2.022 1.170 -2.021) 3.089 3.365 ( -4.584 0.782 0.931) 4.742 3.409 ( -1.715 -1.013 0.022) 1.992 3.476 ( 0.253 1.769 -0.113) 1.790 3.596 ( -7.491 0.798 -0.611) 7.558 3.704 ( 1.936 -0.572 4.334) 4.781 3.790 ( 6.540 0.866 5.542) 8.616 4.067 ( 0.928 3.842 -0.494) 3.983 4.167 ( 0.568 -1.835 -4.322) 4.730 4.287 ( -0.475 0.236 -2.209) 2.272 4.381 ( -0.100 -3.397 -0.584) 3.448 4.683 ( 1.314 0.705 -2.761) 3.138 4.792 ( 3.834 -0.661 -0.928) 4.000 4.861 ( -1.696 0.335 -0.449) 1.786 5.135 ( -0.197 -1.494 0.301) 1.537 5.912 ( 0.081 -5.193 0.521) 5.219 6.045 ( -0.008 -3.524 -0.226) 3.531 6.414 ( -0.183 5.518 -1.486) 5.717 6.590 ( 1.047 1.756 2.247) 3.038 8.118 ( -0.463 2.004 -0.349) 2.086 8.405 ( 0.034 2.036 0.598) 2.122 8.495 ( -0.189 -0.710 0.682) 1.003 8.628 ( -1.924 -2.576 -3.601) 4.827 8.745 ( 1.013 1.466 0.732) 1.926 8.870 ( 0.308 -3.425 -1.598) 3.792 8.957 ( -0.443 2.814 -2.866) 4.041 9.065 ( -0.598 3.382 -1.617) 3.796 9.136 ( 1.132 -2.247 0.451) 2.556 9.434 ( 0.011 -1.644 3.081) 3.492 9.489 ( -2.235 1.134 0.539) 2.564 9.560 ( 0.638 1.520 0.984) 1.920 9.734 ( 2.210 -0.262 2.884) 3.643 9.843 ( 0.178 -1.964 2.930) 3.532 10.044 ( -0.778 -0.316 -3.069) 3.182 10.209 ( -0.903 -1.628 0.538) 1.937 10.551 ( 0.009 2.363 -0.192) 2.370 10.906 ( -0.191 -0.073 -0.658) 0.689 11.001 ( 0.884 -0.060 1.712) 1.928 11.114 ( -0.481 -1.207 -0.852) 1.554 ======================= Grid point 94 (39/105) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -5.834 5.763 -2.926) 8.707 1.144 ( -4.252 1.421 0.258) 4.491 1.312 ( -4.484 4.497 0.452) 6.367 1.423 ( -2.134 -0.229 -0.758) 2.276 1.543 ( -4.545 1.187 2.037) 5.120 1.601 ( 5.195 4.885 2.747) 7.642 1.788 ( -2.585 -1.208 5.022) 5.776 1.903 ( 2.285 -0.928 -1.278) 2.777 2.065 ( 1.088 0.392 0.793) 1.402 2.101 ( 2.230 -1.743 2.282) 3.636 2.185 ( 2.718 0.336 -0.045) 2.739 2.324 ( -2.842 2.044 3.334) 4.834 2.407 ( -7.031 3.098 -0.541) 7.702 2.496 ( 0.656 -1.297 -1.917) 2.406 2.551 ( -1.322 -0.346 -3.496) 3.754 2.670 ( -3.312 0.284 8.183) 8.833 2.750 ( -5.930 1.719 -4.216) 7.477 2.918 ( -2.902 -1.554 2.451) 4.104 2.975 ( 4.873 2.292 1.400) 5.564 3.080 ( -3.516 -3.098 -1.802) 5.020 3.125 ( 4.398 -0.445 -2.963) 5.322 3.202 ( -0.328 -0.335 -2.297) 2.344 3.279 ( -4.101 0.539 2.372) 4.769 3.410 ( 0.943 -0.023 -0.465) 1.052 3.455 ( -1.955 0.306 0.398) 2.019 3.529 ( 1.667 1.028 -0.846) 2.133 3.769 ( 2.257 0.731 4.196) 4.821 3.893 ( 1.994 -0.591 1.813) 2.759 4.067 ( -0.713 3.309 -0.687) 3.454 4.166 ( 1.115 -1.326 -4.325) 4.660 4.289 ( 1.848 -0.567 -2.509) 3.168 4.346 ( -2.880 -2.454 -0.402) 3.805 4.680 ( -0.544 0.408 -2.669) 2.754 4.833 ( 0.729 -1.026 -0.531) 1.366 4.875 ( 2.831 0.213 0.197) 2.846 5.144 ( 0.960 -1.313 0.786) 1.806 5.908 ( -0.598 -5.334 1.092) 5.477 6.037 ( -0.889 -3.610 -0.526) 3.755 6.408 ( 0.181 5.739 -1.220) 5.870 6.622 ( 1.151 1.238 1.799) 2.469 8.125 ( 1.331 2.060 -0.372) 2.480 8.406 ( -0.006 2.245 0.879) 2.411 8.512 ( 1.392 -1.048 0.378) 1.783 8.572 ( -2.140 -2.114 -2.380) 3.836 8.742 ( -1.165 2.573 -0.464) 2.863 8.861 ( -1.434 -2.185 -2.343) 3.510 8.952 ( 1.271 1.430 -0.382) 1.951 9.037 ( -1.390 1.961 -2.647) 3.576 9.170 ( 2.333 -2.665 -0.210) 3.548 9.418 ( -1.114 -1.495 0.596) 1.957 9.485 ( 0.396 2.736 2.811) 3.943 9.613 ( 3.683 0.897 2.632) 4.615 9.787 ( 1.870 -0.424 2.042) 2.802 9.865 ( 0.797 -1.301 2.783) 3.173 10.006 ( -1.670 -0.352 -3.435) 3.835 10.181 ( -1.972 -1.617 0.555) 2.610 10.555 ( 0.398 2.326 -0.211) 2.370 10.905 ( 0.347 0.446 -0.416) 0.701 11.023 ( 0.477 -0.592 2.009) 2.148 11.094 ( -0.986 -0.990 -1.273) 1.890 ======================= Grid point 95 (40/105) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -11.679 12.400 -0.014) 17.034 1.015 ( -11.427 5.443 3.615) 13.163 1.238 ( -3.766 0.169 -0.032) 3.770 1.322 ( -4.648 4.184 -4.124) 7.491 1.511 ( -1.090 0.022 4.682) 4.808 1.692 ( -9.853 1.808 3.899) 10.750 1.728 ( 1.836 2.779 5.231) 6.202 1.867 ( -12.937 7.195 0.315) 14.806 1.946 ( -0.335 1.085 -1.689) 2.035 2.122 ( 0.787 0.842 -0.981) 1.514 2.210 ( 0.693 -1.073 2.660) 2.951 2.331 ( 5.659 -1.139 1.703) 6.019 2.407 ( 1.603 -3.083 -2.894) 4.522 2.465 ( 2.337 0.609 -1.433) 2.808 2.578 ( 1.054 -0.822 -2.989) 3.274 2.635 ( -2.834 -2.548 9.621) 10.348 2.706 ( 1.069 3.087 -2.153) 3.912 2.890 ( -1.317 -2.783 2.678) 4.080 2.974 ( -4.687 -2.786 -0.305) 5.461 3.008 ( -1.375 2.323 -3.604) 4.503 3.137 ( -3.003 -1.314 -0.356) 3.297 3.208 ( -4.646 1.832 4.196) 6.523 3.270 ( 6.565 -0.462 1.820) 6.829 3.391 ( -1.093 2.118 -1.285) 2.708 3.498 ( 4.400 -1.535 -1.638) 4.939 3.587 ( 4.223 0.872 -1.827) 4.683 3.809 ( 0.468 1.338 1.474) 2.045 3.924 ( 1.583 -0.554 1.775) 2.442 4.031 ( -2.308 2.837 -2.328) 4.335 4.156 ( -0.774 -2.238 -4.031) 4.675 4.267 ( -2.862 -0.855 -2.138) 3.674 4.353 ( 4.003 -1.664 -1.399) 4.555 4.645 ( -1.747 0.083 -1.843) 2.541 4.844 ( 0.662 -2.503 -1.943) 3.237 4.925 ( 1.843 0.413 1.054) 2.163 5.172 ( 0.840 -1.006 2.390) 2.725 5.906 ( -0.245 -5.568 1.747) 5.841 6.004 ( -2.088 -3.755 -0.896) 4.389 6.411 ( 0.617 5.833 -1.025) 5.954 6.643 ( 0.395 0.364 0.614) 0.816 8.163 ( 2.510 1.602 -0.145) 2.982 8.414 ( 0.426 2.031 0.515) 2.138 8.509 ( -1.519 -0.336 -1.387) 2.084 8.568 ( 1.726 -1.881 1.990) 3.236 8.712 ( -1.399 1.748 0.606) 2.319 8.794 ( -3.783 0.236 -2.623) 4.609 8.984 ( 0.804 4.339 -0.156) 4.416 9.008 ( 0.886 -2.824 -2.445) 3.838 9.224 ( 3.367 -2.022 -0.871) 4.023 9.410 ( -0.456 -2.566 1.773) 3.152 9.513 ( 1.110 2.910 1.892) 3.644 9.706 ( 4.341 -0.011 2.360) 4.941 9.823 ( 1.180 0.290 0.984) 1.564 9.890 ( 0.696 -0.802 1.135) 1.554 9.955 ( -2.053 0.210 -2.165) 2.991 10.146 ( -1.785 -0.656 1.404) 2.364 10.566 ( 0.885 2.674 -0.297) 2.833 10.917 ( 1.011 0.807 0.002) 1.293 11.029 ( -0.721 -0.943 0.616) 1.337 11.075 ( -0.262 -0.919 -0.215) 0.979 ======================= Grid point 96 (41/105) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -8.329 13.988 8.665) 18.442 0.757 ( -14.125 15.005 5.632) 21.363 1.083 ( -11.608 10.042 4.393) 15.965 1.261 ( -1.946 2.048 2.536) 3.796 1.431 ( -6.323 1.069 4.934) 8.091 1.534 ( -3.029 3.705 6.726) 8.255 1.710 ( -4.444 1.977 0.555) 4.895 1.804 ( 1.835 4.219 -0.978) 4.703 1.912 ( -1.539 2.901 -4.722) 5.752 2.154 ( 1.580 1.270 -1.169) 2.340 2.262 ( 2.017 -1.867 -0.176) 2.754 2.355 ( 0.095 -2.678 -3.400) 4.329 2.471 ( 3.564 -5.587 -1.127) 6.722 2.544 ( 2.726 1.565 -0.973) 3.290 2.586 ( 1.091 0.719 3.126) 3.388 2.621 ( -0.306 -5.053 3.041) 5.905 2.696 ( -2.280 -2.222 1.018) 3.343 2.882 ( -0.912 1.912 -0.868) 2.289 2.906 ( -0.112 -1.230 -0.611) 1.378 2.980 ( -1.134 -0.758 3.957) 4.186 3.082 ( -2.137 -0.887 -0.274) 2.330 3.146 ( -3.205 3.709 3.943) 6.291 3.341 ( -0.688 1.965 -1.506) 2.570 3.395 ( 2.458 1.532 2.562) 3.866 3.577 ( 4.134 -1.368 -1.283) 4.540 3.661 ( 4.465 0.798 -4.448) 6.352 3.818 ( 0.423 0.454 -0.997) 1.174 3.942 ( -1.661 2.060 0.407) 2.677 4.008 ( 2.304 -0.058 0.944) 2.491 4.080 ( -5.527 -1.385 -2.723) 6.316 4.223 ( -0.267 -0.400 -4.471) 4.496 4.429 ( 3.682 -3.442 -1.233) 5.189 4.610 ( -0.908 -0.407 -1.227) 1.580 4.822 ( -1.712 -4.259 -5.324) 7.030 4.964 ( 1.922 2.079 2.325) 3.663 5.177 ( -2.190 -1.158 4.007) 4.712 5.902 ( -1.065 -5.619 -0.826) 5.779 5.964 ( -1.187 -3.812 1.252) 4.184 6.424 ( 1.117 5.763 -0.926) 5.943 6.636 ( -1.263 -0.146 -0.683) 1.443 8.214 ( 2.469 0.516 -0.007) 2.523 8.420 ( 0.134 0.905 -0.913) 1.292 8.483 ( -0.703 3.747 0.508) 3.847 8.598 ( -0.024 -2.553 1.681) 3.057 8.687 ( -2.876 -0.369 -1.434) 3.235 8.753 ( 1.727 -0.746 5.597) 5.904 8.999 ( 2.558 2.685 -2.410) 4.423 9.043 ( 1.968 -0.970 0.392) 2.229 9.283 ( 2.914 -1.929 -2.228) 4.145 9.408 ( -0.688 -3.661 1.650) 4.074 9.531 ( 0.058 1.962 1.285) 2.346 9.776 ( 1.426 -1.869 -1.544) 2.813 9.840 ( 0.348 0.732 -0.075) 0.814 9.893 ( 0.210 -1.219 0.173) 1.248 9.946 ( 1.121 1.437 3.303) 3.772 10.132 ( -0.119 1.807 1.064) 2.101 10.588 ( 1.610 3.395 -0.803) 3.842 10.936 ( 0.393 0.107 0.044) 0.410 11.009 ( -0.374 0.463 -1.662) 1.765 11.081 ( 0.261 -2.109 0.865) 2.294 ======================= Grid point 97 (42/105) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -2.004 13.360 9.392) 16.453 0.997 ( -0.524 17.005 6.210) 18.111 1.217 ( 1.623 2.033 -0.671) 2.686 1.293 ( 2.323 3.438 1.854) 4.544 1.447 ( -0.152 1.480 0.609) 1.608 1.601 ( -4.666 5.901 0.837) 7.570 1.725 ( 1.887 4.975 4.522) 6.983 1.850 ( -0.034 1.930 -1.535) 2.466 1.987 ( -0.293 5.549 1.453) 5.744 2.143 ( -3.440 0.307 -3.768) 5.111 2.206 ( -2.751 -1.889 -3.466) 4.811 2.287 ( -1.810 -1.466 -4.242) 4.840 2.403 ( -2.102 -1.072 1.603) 2.853 2.502 ( 4.544 -6.235 2.512) 8.114 2.561 ( 0.025 -1.918 2.087) 2.835 2.632 ( 2.941 -0.686 2.516) 3.931 2.674 ( -2.005 -3.825 1.094) 4.455 2.848 ( 0.188 -2.838 1.258) 3.110 2.928 ( 2.851 3.745 2.503) 5.331 3.011 ( 1.875 0.165 2.832) 3.401 3.038 ( -1.266 0.662 -0.539) 1.527 3.188 ( -1.956 2.044 2.617) 3.854 3.342 ( 0.287 1.927 -1.565) 2.498 3.545 ( 2.288 4.330 2.507) 5.502 3.609 ( 1.852 -2.029 -1.977) 3.384 3.727 ( 1.424 -1.454 -2.286) 3.060 3.805 ( -0.885 2.018 -1.140) 2.481 3.935 ( -3.028 0.526 -2.030) 3.683 3.993 ( -0.777 2.126 1.019) 2.483 4.053 ( 1.951 -0.720 -0.368) 2.112 4.192 ( 0.727 -1.064 -3.063) 3.323 4.378 ( 1.058 -4.994 -0.093) 5.106 4.592 ( 0.933 -0.347 -2.499) 2.690 4.701 ( -0.649 -2.553 -6.196) 6.733 5.059 ( 0.903 1.918 2.190) 3.048 5.117 ( -3.487 -0.104 4.067) 5.358 5.749 ( -1.351 -5.216 -2.261) 5.843 5.883 ( 1.231 -5.616 2.265) 6.179 6.541 ( 0.381 4.534 -0.403) 4.568 6.624 ( -0.759 1.225 -0.712) 1.607 8.253 ( 0.697 0.950 0.406) 1.246 8.453 ( 0.301 1.635 -0.645) 1.783 8.549 ( -2.069 2.036 0.526) 2.950 8.583 ( 0.608 -0.218 1.244) 1.402 8.663 ( 1.065 2.063 -0.894) 2.487 8.769 ( 1.682 -1.710 4.094) 4.745 9.001 ( 1.046 -1.734 1.950) 2.811 9.102 ( 0.608 0.448 -0.544) 0.931 9.243 ( 0.776 -2.608 -1.905) 3.321 9.308 ( -2.343 -3.708 -1.090) 4.520 9.550 ( -0.270 0.374 -0.677) 0.819 9.705 ( -1.636 -1.563 -1.795) 2.888 9.796 ( -2.157 -2.445 -4.462) 5.526 9.859 ( 0.101 -2.526 2.515) 3.566 10.064 ( 2.396 3.158 3.946) 5.593 10.177 ( -0.038 1.295 -0.279) 1.325 10.671 ( 0.082 3.224 -0.009) 3.225 10.917 ( 0.173 -0.980 -0.360) 1.058 11.000 ( -1.824 -0.454 -1.388) 2.337 11.046 ( 1.050 -1.446 -0.026) 1.788 ======================= Grid point 98 (43/105) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 3.210 10.013 7.101) 12.688 1.067 ( 4.351 12.801 5.155) 14.469 1.226 ( 0.612 2.852 -0.819) 3.030 1.366 ( 1.570 1.510 1.558) 2.678 1.467 ( 0.763 -0.048 -0.175) 0.784 1.560 ( -0.517 4.176 -1.247) 4.389 1.792 ( 4.398 4.850 0.119) 6.549 1.871 ( 0.883 0.780 -1.989) 2.312 1.984 ( 1.114 5.200 0.057) 5.318 2.065 ( -1.217 2.499 0.848) 2.906 2.173 ( 0.670 -0.518 0.596) 1.035 2.233 ( -1.436 1.158 -3.481) 3.939 2.388 ( -0.656 -2.302 2.166) 3.228 2.526 ( -3.055 -2.784 0.683) 4.189 2.606 ( 2.894 -3.474 2.090) 4.981 2.635 ( 0.136 -4.620 -0.905) 4.710 2.730 ( 3.720 -1.608 3.820) 5.569 2.866 ( 0.929 -2.214 3.092) 3.915 2.943 ( -1.942 5.130 0.423) 5.502 3.041 ( 1.949 1.640 -1.251) 2.837 3.072 ( 2.493 0.629 3.732) 4.531 3.183 ( -0.012 -0.798 3.205) 3.303 3.352 ( 1.596 4.192 -1.013) 4.599 3.557 ( -1.482 2.768 2.440) 3.976 3.592 ( -2.684 -1.485 0.384) 3.091 3.722 ( -2.321 -1.463 -0.208) 2.752 3.792 ( -0.635 0.300 -4.110) 4.169 3.864 ( -1.375 2.441 -0.893) 2.940 4.028 ( 3.059 1.860 0.037) 3.580 4.085 ( 1.497 -2.197 -1.270) 2.947 4.207 ( 2.162 -0.581 -3.531) 4.181 4.390 ( 0.016 -3.946 0.673) 4.003 4.614 ( 1.908 -0.716 -1.395) 2.469 4.671 ( 0.609 -1.390 -7.734) 7.881 5.017 ( -4.275 1.267 2.432) 5.079 5.115 ( 0.256 -0.724 2.958) 3.056 5.731 ( 0.407 -4.450 -1.101) 4.602 5.919 ( 1.476 -5.831 1.270) 6.148 6.543 ( -0.038 4.640 -0.350) 4.653 6.612 ( -0.191 1.417 -0.765) 1.621 8.256 ( -0.743 1.551 0.438) 1.775 8.444 ( -0.767 1.912 -0.490) 2.117 8.525 ( -0.193 -0.091 0.682) 0.714 8.583 ( -0.828 0.259 1.152) 1.442 8.702 ( 2.106 1.272 -1.202) 2.738 8.826 ( 2.292 -0.623 3.788) 4.471 9.030 ( 0.582 -2.674 2.690) 3.838 9.093 ( -0.289 1.739 -1.570) 2.361 9.223 ( -3.144 -1.199 -3.629) 4.949 9.275 ( 0.933 -3.129 0.139) 3.268 9.541 ( -0.768 -1.252 0.374) 1.515 9.666 ( -1.610 -0.260 -1.131) 1.985 9.734 ( -2.174 -3.475 -3.585) 5.446 9.864 ( -0.799 -2.201 1.866) 2.994 10.110 ( 0.251 1.958 2.249) 2.992 10.162 ( -0.585 1.941 0.337) 2.055 10.658 ( -1.116 3.722 0.277) 3.895 10.922 ( 0.039 -0.865 -0.636) 1.075 10.965 ( -0.651 0.150 -0.608) 0.903 11.063 ( 0.699 -1.557 0.030) 1.707 ======================= Grid point 99 (44/105) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 6.651 4.305 1.064) 7.994 1.151 ( 1.699 3.476 2.042) 4.374 1.269 ( 4.174 5.900 -1.165) 7.320 1.392 ( 1.855 0.496 0.413) 1.964 1.479 ( 0.892 3.046 0.795) 3.272 1.520 ( -2.313 3.141 0.665) 3.956 1.810 ( -0.884 2.284 -3.475) 4.251 1.876 ( 1.916 -0.121 -1.385) 2.367 2.044 ( 1.738 2.650 -1.004) 3.324 2.105 ( 0.834 1.597 -1.503) 2.346 2.162 ( 1.136 0.692 0.103) 1.334 2.275 ( 4.315 3.300 1.868) 5.744 2.379 ( -0.517 -4.566 0.502) 4.622 2.510 ( 1.209 -0.087 3.979) 4.159 2.602 ( -2.479 -0.076 0.096) 2.482 2.667 ( 1.525 -4.993 -1.373) 5.398 2.791 ( 1.557 -0.590 4.486) 4.785 2.876 ( -0.377 -2.373 -0.217) 2.413 2.962 ( 2.192 4.295 5.632) 7.414 3.068 ( 1.218 0.659 -1.160) 1.807 3.121 ( 1.327 2.304 -1.470) 3.038 3.210 ( 1.711 -1.215 5.578) 5.960 3.383 ( 1.177 2.952 -0.033) 3.178 3.527 ( -2.765 0.560 0.809) 2.935 3.551 ( -0.988 2.219 2.191) 3.271 3.645 ( -4.658 -0.849 1.963) 5.125 3.731 ( -2.711 -0.145 -2.320) 3.571 3.869 ( 0.163 1.933 -1.372) 2.376 4.078 ( 1.080 1.106 -1.778) 2.356 4.105 ( 2.346 -2.329 -1.589) 3.667 4.244 ( 2.975 -0.461 -3.421) 4.558 4.377 ( -1.872 -2.793 1.257) 3.590 4.646 ( 2.114 -0.362 -1.757) 2.773 4.668 ( 2.488 0.195 -6.576) 7.034 4.954 ( -3.104 0.328 1.676) 3.543 5.119 ( -0.847 -1.901 1.853) 2.786 5.753 ( 1.902 -4.167 0.087) 4.582 5.944 ( 0.742 -5.789 0.185) 5.839 6.539 ( -0.075 4.893 -0.778) 4.955 6.608 ( -0.072 1.830 0.099) 1.834 8.228 ( -2.038 2.272 0.106) 3.054 8.430 ( -0.323 1.459 -0.010) 1.495 8.531 ( -0.282 -0.505 0.273) 0.640 8.579 ( 0.277 -1.170 1.744) 2.118 8.715 ( 0.025 0.749 -1.607) 1.773 8.875 ( 1.293 0.064 0.390) 1.352 9.031 ( -0.583 -1.706 -0.153) 1.809 9.100 ( 0.399 2.624 0.450) 2.692 9.158 ( -1.003 0.785 -2.842) 3.114 9.298 ( 1.079 -3.235 1.183) 3.610 9.534 ( -0.226 -1.814 2.382) 3.003 9.621 ( -2.666 -0.500 -1.282) 3.001 9.695 ( -0.553 -2.077 -1.484) 2.612 9.842 ( -2.065 -1.046 1.597) 2.812 10.093 ( -1.310 1.248 -0.541) 1.888 10.172 ( 0.492 0.145 1.189) 1.295 10.638 ( -1.051 3.980 0.347) 4.131 10.909 ( -0.742 -1.285 -0.371) 1.530 10.971 ( 0.841 0.685 -0.111) 1.090 11.076 ( 0.599 -1.894 0.111) 1.989 ======================= Grid point 100 (45/105) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 1.357 1.797 -2.089) 3.072 1.199 ( 3.100 0.173 -0.441) 3.136 1.322 ( 2.220 3.408 -2.191) 4.620 1.433 ( 1.713 -1.204 -0.873) 2.269 1.505 ( 1.859 3.656 0.805) 4.180 1.561 ( 5.829 1.287 2.479) 6.463 1.826 ( 3.211 2.362 -0.586) 4.030 1.872 ( -2.901 1.198 0.904) 3.266 1.996 ( -3.389 3.004 -3.700) 5.848 2.088 ( -0.790 -0.033 1.789) 1.956 2.259 ( 4.846 2.807 3.097) 6.399 2.303 ( -0.683 -0.247 1.199) 1.401 2.398 ( 0.904 0.693 -1.568) 1.938 2.537 ( -1.514 -1.041 1.432) 2.330 2.582 ( 2.116 1.325 2.727) 3.697 2.670 ( 0.658 -3.344 -5.478) 6.452 2.820 ( -0.181 -1.022 3.375) 3.531 2.908 ( 1.870 -3.303 3.162) 4.940 2.992 ( -1.338 1.372 2.296) 2.991 3.071 ( -0.177 -0.302 0.427) 0.552 3.134 ( 1.995 2.640 -3.241) 4.631 3.253 ( -1.311 -1.319 2.466) 3.089 3.400 ( 0.347 0.548 -1.428) 1.569 3.475 ( -4.021 2.012 -0.579) 4.533 3.529 ( -0.577 2.539 2.353) 3.509 3.614 ( 0.654 -1.632 4.265) 4.614 3.721 ( 2.190 2.657 2.433) 4.216 3.808 ( -5.901 2.598 -1.549) 6.631 4.080 ( 0.851 -2.095 -2.791) 3.593 4.147 ( 2.094 1.306 -1.302) 2.790 4.282 ( 1.513 -1.602 -1.279) 2.548 4.337 ( -1.931 -1.187 0.026) 2.267 4.679 ( 2.095 0.687 -3.013) 3.734 4.712 ( 3.987 -0.147 -3.647) 5.406 4.906 ( -2.361 0.078 0.584) 2.433 5.104 ( -1.094 -2.514 0.837) 2.867 5.792 ( 1.564 -4.400 0.450) 4.691 5.951 ( 0.158 -5.611 -0.367) 5.626 6.534 ( 0.009 5.218 -1.089) 5.331 6.613 ( 0.331 2.313 1.352) 2.700 8.189 ( -1.689 2.618 -0.130) 3.118 8.433 ( 0.509 0.806 0.275) 0.992 8.508 ( -1.841 0.490 0.963) 2.135 8.599 ( 0.653 -3.175 -0.519) 3.283 8.708 ( 0.210 0.524 0.070) 0.569 8.873 ( -0.379 0.573 -3.884) 3.944 9.017 ( -0.729 -0.940 -0.709) 1.385 9.101 ( 0.129 2.970 0.772) 3.071 9.152 ( 0.391 2.145 -3.050) 3.749 9.336 ( 1.706 -3.835 3.955) 5.768 9.541 ( -1.107 -0.990 0.129) 1.491 9.571 ( -0.954 -0.514 1.834) 2.130 9.695 ( 0.724 0.172 0.290) 0.799 9.809 ( -1.785 -0.919 2.447) 3.165 10.068 ( -0.736 0.311 -2.083) 2.231 10.177 ( -0.272 -1.811 0.125) 1.835 10.622 ( -0.678 3.878 0.167) 3.940 10.896 ( -0.408 -1.514 -0.242) 1.587 10.988 ( 0.758 0.697 0.530) 1.158 11.085 ( 0.266 -1.951 -0.129) 1.973 ======================= Grid point 101 (46/105) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.410 1.610 -1.702) 2.379 1.220 ( -0.264 0.638 -1.509) 1.660 1.355 ( 1.674 -0.567 -1.456) 2.290 1.474 ( 1.583 2.246 1.610) 3.184 1.551 ( 2.243 -0.921 -1.910) 3.087 1.689 ( 4.733 -2.909 0.628) 5.591 1.773 ( -4.287 7.292 -1.071) 8.526 1.896 ( 1.066 2.135 1.881) 3.039 1.958 ( 1.434 -1.508 -0.431) 2.125 2.088 ( 0.398 3.462 4.222) 5.474 2.262 ( -3.043 3.465 2.694) 5.340 2.364 ( 2.290 2.329 3.702) 4.937 2.401 ( 1.346 0.652 -1.339) 2.007 2.511 ( -1.567 -1.512 -1.143) 2.459 2.604 ( -1.084 -1.905 -1.349) 2.574 2.693 ( 2.675 -0.991 -0.863) 2.980 2.824 ( -2.183 -1.630 1.930) 3.339 2.901 ( -1.801 1.637 5.754) 6.248 2.995 ( 1.315 -3.445 -0.148) 3.690 3.065 ( -1.894 -0.049 -1.086) 2.183 3.132 ( -1.556 0.061 -2.376) 2.841 3.222 ( -0.239 0.852 -2.189) 2.361 3.370 ( -3.988 0.143 -1.955) 4.443 3.388 ( -0.687 0.363 -1.663) 1.836 3.534 ( -1.491 2.452 2.332) 3.698 3.618 ( -5.341 1.926 -0.207) 5.681 3.711 ( 1.070 1.537 3.085) 3.609 3.822 ( 4.717 2.050 4.938) 7.130 4.083 ( 0.828 -2.742 -3.886) 4.827 4.175 ( 1.155 2.592 -0.401) 2.866 4.272 ( -1.773 -2.413 0.066) 2.995 4.323 ( 0.059 -0.964 -1.053) 1.429 4.700 ( 1.277 1.012 -3.298) 3.679 4.778 ( 3.629 -0.600 -1.758) 4.077 4.870 ( -1.085 0.641 -0.269) 1.289 5.092 ( -0.182 -2.717 0.400) 2.752 5.809 ( -0.001 -4.604 0.276) 4.612 5.952 ( -0.002 -5.512 -0.368) 5.524 6.530 ( 0.022 5.617 -0.918) 5.691 6.632 ( 0.742 2.221 1.950) 3.047 8.168 ( -0.234 2.934 -0.269) 2.955 8.446 ( 0.489 0.367 0.184) 0.638 8.484 ( -0.790 0.809 1.250) 1.686 8.585 ( -1.195 -1.430 -2.089) 2.799 8.731 ( 1.294 -2.895 1.203) 3.392 8.847 ( -0.072 1.989 -3.610) 4.122 8.993 ( -1.454 -0.505 -2.120) 2.619 9.108 ( 0.388 2.358 -0.521) 2.446 9.140 ( -0.366 1.844 -1.541) 2.431 9.378 ( 0.294 -4.116 2.483) 4.816 9.516 ( -0.225 1.577 2.219) 2.731 9.587 ( 0.794 0.977 1.435) 1.910 9.723 ( 1.558 -0.457 1.777) 2.406 9.807 ( 0.349 -1.333 3.811) 4.052 10.042 ( -0.798 0.045 -3.526) 3.616 10.164 ( -0.939 -2.748 -0.793) 3.010 10.613 ( -0.215 3.674 0.024) 3.680 10.892 ( 0.123 -1.461 -0.234) 1.485 11.003 ( 0.429 0.308 1.112) 1.231 11.084 ( -0.287 -1.693 -0.475) 1.782 ======================= Grid point 102 (47/105) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.442 2.585 -1.328) 2.940 1.187 ( -2.503 2.391 -1.566) 3.799 1.346 ( -3.071 -0.101 -1.899) 3.612 1.455 ( -3.114 1.151 1.455) 3.625 1.554 ( -2.275 -0.333 -1.217) 2.602 1.703 ( 1.045 2.048 5.429) 5.895 1.799 ( 2.322 3.812 -0.162) 4.467 1.901 ( 0.739 0.882 0.340) 1.200 2.015 ( 3.152 -1.680 -1.202) 3.769 2.148 ( 2.717 2.926 2.922) 4.948 2.229 ( -0.508 3.895 2.254) 4.529 2.355 ( -2.044 0.730 -0.226) 2.182 2.433 ( -1.084 1.201 -3.143) 3.535 2.469 ( -2.721 -0.951 1.685) 3.339 2.573 ( -0.499 0.663 -0.962) 1.271 2.666 ( -5.735 -0.132 3.482) 6.711 2.758 ( -2.152 -1.348 1.903) 3.173 2.908 ( -4.056 0.127 2.000) 4.524 2.974 ( -3.862 -3.648 0.562) 5.342 3.045 ( 2.337 1.280 0.321) 2.684 3.105 ( 0.657 -1.014 -1.540) 1.957 3.204 ( -0.137 0.208 -2.614) 2.626 3.311 ( -1.513 2.128 -1.548) 3.035 3.394 ( 1.404 -0.659 -1.219) 1.973 3.483 ( -2.455 2.128 1.156) 3.449 3.565 ( 0.363 2.851 0.661) 2.949 3.780 ( 3.128 0.346 3.680) 4.842 3.900 ( 1.531 0.852 1.553) 2.341 4.082 ( 0.965 -2.049 -4.501) 5.038 4.179 ( -1.342 2.514 -0.766) 2.951 4.242 ( -1.000 -3.980 1.238) 4.286 4.311 ( -0.279 -0.720 -2.246) 2.375 4.691 ( -0.803 0.804 -3.111) 3.312 4.811 ( 0.276 -1.125 -1.716) 2.071 4.886 ( 2.548 1.077 0.812) 2.883 5.106 ( 1.365 -2.426 0.924) 2.933 5.801 ( -0.683 -4.733 0.662) 4.827 5.942 ( -0.975 -5.533 -0.594) 5.650 6.528 ( 0.102 5.769 -0.691) 5.811 6.652 ( 0.427 1.608 1.558) 2.279 8.178 ( 1.221 3.123 -0.367) 3.373 8.447 ( -0.476 0.659 0.483) 0.946 8.493 ( 1.095 -0.423 0.106) 1.179 8.555 ( -0.797 1.018 -0.514) 1.391 8.737 ( -0.777 -3.978 -1.339) 4.268 8.857 ( 1.247 2.846 0.638) 3.171 8.937 ( -2.538 -1.954 -3.922) 5.064 9.102 ( -1.133 3.320 -1.097) 3.675 9.145 ( 2.050 0.328 -0.717) 2.197 9.367 ( -1.438 -3.726 1.000) 4.118 9.549 ( 1.367 3.323 2.888) 4.610 9.620 ( 2.220 0.023 1.849) 2.889 9.767 ( 1.980 -1.278 2.654) 3.549 9.843 ( 1.196 -1.182 3.563) 3.940 10.009 ( -0.743 0.638 -4.419) 4.526 10.139 ( -0.969 -2.367 -0.889) 2.708 10.615 ( 0.363 3.541 0.041) 3.560 10.900 ( 0.738 -1.263 -0.221) 1.480 11.012 ( -0.133 -0.352 1.302) 1.355 11.071 ( -0.663 -1.213 -0.700) 1.549 ======================= Grid point 103 (48/105) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -7.391 7.259 0.450) 10.369 1.130 ( -3.177 5.268 0.119) 6.153 1.255 ( -3.827 1.784 -1.005) 4.341 1.382 ( -4.796 1.220 0.680) 4.996 1.515 ( -0.492 0.868 1.141) 1.516 1.741 ( -3.221 0.479 2.215) 3.938 1.802 ( 0.254 4.904 1.440) 5.117 1.932 ( 0.588 1.745 -1.664) 2.482 2.028 ( -2.859 2.698 0.548) 3.969 2.153 ( -4.363 3.495 0.216) 5.594 2.221 ( 1.652 1.028 1.817) 2.662 2.315 ( -1.407 -1.502 0.521) 2.123 2.372 ( -0.238 1.070 -4.502) 4.634 2.454 ( 2.074 -0.365 2.774) 3.482 2.578 ( 0.225 2.048 0.658) 2.163 2.623 ( -1.731 -0.179 5.447) 5.718 2.717 ( -3.309 -1.859 -1.555) 4.101 2.843 ( -2.879 -1.825 3.098) 4.607 2.906 ( -0.952 -3.259 0.978) 3.533 3.021 ( -3.191 -1.017 -2.453) 4.151 3.113 ( -2.031 -0.462 0.029) 2.083 3.237 ( 1.997 0.809 2.419) 3.240 3.296 ( 0.911 3.240 1.618) 3.734 3.418 ( 1.614 -1.046 -2.695) 3.311 3.488 ( 2.871 1.536 -1.161) 3.457 3.610 ( 3.593 2.070 0.337) 4.160 3.837 ( 1.046 0.704 1.066) 1.651 3.923 ( 1.234 0.727 1.863) 2.350 4.083 ( 0.472 0.570 -3.947) 4.016 4.109 ( -4.279 -0.864 -1.769) 4.711 4.230 ( -1.170 -2.878 -0.403) 3.133 4.313 ( 1.696 -2.085 -1.957) 3.325 4.649 ( -1.962 0.493 -2.665) 3.346 4.793 ( -1.001 -2.291 -3.028) 3.927 4.946 ( 2.736 1.689 2.126) 3.854 5.144 ( 1.346 -1.783 2.217) 3.148 5.794 ( -0.447 -5.096 1.010) 5.214 5.907 ( -2.176 -5.528 -0.716) 5.984 6.529 ( 0.275 5.505 -0.645) 5.549 6.658 ( -0.334 0.973 0.648) 1.216 8.206 ( 1.646 2.670 -0.410) 3.163 8.438 ( -0.253 0.415 -0.358) 0.604 8.514 ( 0.973 -0.567 -0.382) 1.189 8.563 ( 1.075 2.483 2.661) 3.795 8.709 ( -1.168 -2.366 -1.303) 2.943 8.820 ( -4.419 1.693 -1.965) 5.125 8.931 ( 2.326 -2.273 0.134) 3.255 9.073 ( -0.693 2.914 -1.574) 3.384 9.198 ( 3.046 -0.539 -0.422) 3.122 9.345 ( -1.199 -3.794 1.100) 4.128 9.571 ( 0.250 2.374 0.115) 2.390 9.683 ( 2.672 -1.293 2.698) 4.012 9.817 ( 1.672 -1.142 2.250) 3.027 9.870 ( 0.232 -1.571 1.268) 2.032 9.981 ( -0.040 2.437 -3.176) 4.004 10.131 ( 0.504 -0.911 0.120) 1.048 10.629 ( 1.036 3.514 0.140) 3.666 10.917 ( 0.938 -1.246 -0.331) 1.594 11.009 ( -0.460 -0.774 0.958) 1.315 11.056 ( -0.585 -0.882 -0.597) 1.215 ======================= Grid point 104 (49/105) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -5.969 11.324 5.301) 13.855 1.039 ( -5.821 12.450 4.902) 14.591 1.207 ( -0.752 2.989 -1.668) 3.504 1.311 ( -2.649 1.302 -0.780) 3.053 1.489 ( -3.694 3.703 0.975) 5.320 1.660 ( -2.663 6.137 5.232) 8.493 1.754 ( -6.425 3.751 -1.383) 7.567 1.869 ( -1.665 2.335 0.949) 3.021 1.996 ( -1.256 4.871 1.600) 5.278 2.158 ( 2.668 -1.077 -2.276) 3.669 2.261 ( -0.332 -0.156 1.221) 1.275 2.305 ( 0.208 -1.703 -3.616) 4.003 2.381 ( 3.698 -2.427 -2.475) 5.068 2.497 ( -1.914 -3.645 6.251) 7.485 2.571 ( -3.217 0.650 -1.040) 3.443 2.601 ( -0.185 -0.841 -0.382) 0.942 2.664 ( 0.804 -0.431 3.846) 3.953 2.839 ( 0.475 -4.111 2.382) 4.774 2.904 ( -1.383 -0.760 0.161) 1.586 2.972 ( 0.429 0.582 1.129) 1.341 3.072 ( -1.772 0.203 -0.627) 1.890 3.226 ( -2.717 3.110 3.045) 5.131 3.338 ( 0.824 0.422 1.112) 1.447 3.467 ( 4.390 2.040 -1.020) 4.947 3.551 ( 4.067 -0.429 -2.444) 4.764 3.686 ( 3.609 1.829 -0.760) 4.117 3.835 ( -0.837 1.029 -1.239) 1.816 3.964 ( 0.314 -0.214 3.136) 3.159 4.017 ( -2.188 0.539 -0.592) 2.330 4.063 ( -1.921 0.651 -3.279) 3.856 4.202 ( -0.398 -1.869 -3.147) 3.682 4.348 ( 2.082 -4.496 -0.750) 5.011 4.605 ( -1.150 0.129 -2.498) 2.753 4.749 ( -1.643 -3.007 -4.739) 5.848 5.008 ( 2.526 2.275 2.619) 4.292 5.158 ( -1.489 -0.929 3.350) 3.782 5.785 ( -0.969 -5.594 -1.032) 5.771 5.869 ( -1.086 -5.388 1.199) 5.626 6.534 ( 0.519 4.953 -0.598) 5.015 6.645 ( -1.004 0.851 -0.193) 1.331 8.233 ( 1.216 1.515 -0.126) 1.947 8.442 ( 0.789 1.291 -0.550) 1.610 8.536 ( 1.673 -0.396 0.053) 1.720 8.590 ( -0.595 3.105 3.252) 4.536 8.683 ( -1.499 -0.305 -1.235) 1.966 8.743 ( -1.366 -0.559 0.570) 1.582 8.973 ( 1.487 -1.382 0.765) 2.169 9.076 ( 1.438 1.309 -0.293) 1.967 9.239 ( 1.200 -2.022 -1.680) 2.890 9.332 ( -0.571 -3.958 0.762) 4.071 9.564 ( -0.625 1.341 -0.962) 1.764 9.724 ( 0.549 -2.288 0.142) 2.357 9.844 ( 0.315 -1.528 1.452) 2.131 9.851 ( -1.389 -1.910 -3.038) 3.848 10.001 ( 2.141 3.577 2.530) 4.877 10.157 ( 1.693 0.588 0.331) 1.822 10.654 ( 1.344 3.355 0.085) 3.615 10.922 ( -0.234 -1.441 -0.438) 1.524 11.015 ( 0.834 -0.272 -0.000) 0.877 11.041 ( -0.777 -1.511 -0.489) 1.768 ======================= Grid point 105 (50/105) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.910 8.594 2.103) 8.894 1.240 ( 0.105 2.212 -1.504) 2.677 1.279 ( 3.037 6.987 1.713) 7.809 1.351 ( 3.451 3.214 2.357) 5.272 1.498 ( -4.762 5.495 2.775) 7.783 1.705 ( 0.038 4.356 -2.674) 5.112 1.789 ( -4.025 0.820 3.955) 5.702 1.894 ( 2.550 3.199 1.985) 4.547 2.005 ( -1.340 -3.318 0.073) 3.580 2.120 ( -3.457 -5.004 0.857) 6.142 2.184 ( -1.461 1.287 -3.745) 4.220 2.273 ( 1.128 1.144 -0.457) 1.671 2.347 ( 1.009 -5.700 -3.743) 6.893 2.424 ( -1.485 -0.086 1.871) 2.390 2.530 ( 1.011 -3.888 0.456) 4.044 2.604 ( -3.931 -2.817 2.063) 5.258 2.660 ( 0.092 3.704 1.591) 4.033 2.786 ( 2.296 -3.003 2.908) 4.769 2.964 ( 4.346 1.365 4.219) 6.209 3.041 ( 0.661 -0.303 -1.149) 1.360 3.119 ( 0.733 8.976 2.721) 9.408 3.237 ( -1.861 4.179 0.859) 4.654 3.366 ( 1.397 -0.903 1.198) 2.050 3.534 ( 3.650 -5.158 -3.618) 7.281 3.601 ( 0.964 0.733 0.549) 1.330 3.671 ( -3.927 -2.654 2.312) 5.274 3.895 ( 0.586 6.107 -0.421) 6.149 3.952 ( -1.032 1.225 -1.388) 2.120 4.007 ( 0.456 -0.757 0.242) 0.916 4.069 ( -0.645 1.444 -2.438) 2.906 4.158 ( 1.280 -1.838 -0.564) 2.310 4.274 ( 1.425 -5.108 0.362) 5.316 4.596 ( 0.630 0.727 -3.910) 4.027 4.656 ( -0.128 -2.042 -5.925) 6.268 5.090 ( 0.029 1.213 2.354) 2.648 5.115 ( -2.828 -0.127 2.928) 4.073 5.674 ( -0.558 -1.850 -1.431) 2.405 5.768 ( 0.898 -5.466 1.361) 5.704 6.613 ( 0.127 2.634 -0.246) 2.648 6.645 ( -0.508 0.695 -0.524) 1.008 8.290 ( 0.578 2.816 0.761) 2.974 8.439 ( 0.076 -3.037 -0.444) 3.070 8.577 ( 0.699 1.468 -0.003) 1.626 8.606 ( -2.169 1.236 0.440) 2.535 8.693 ( 0.758 1.736 0.845) 2.074 8.767 ( 2.693 0.621 3.141) 4.184 8.982 ( -0.072 -0.085 1.211) 1.216 9.074 ( 0.293 -3.130 0.091) 3.145 9.213 ( 0.618 -0.478 -0.720) 1.062 9.247 ( -1.178 -2.026 -0.373) 2.373 9.568 ( -0.691 1.557 -3.949) 4.301 9.675 ( -0.513 -2.258 -2.039) 3.086 9.754 ( -2.583 -0.879 -3.572) 4.495 9.810 ( -0.532 -2.370 1.191) 2.705 10.121 ( 1.692 2.512 2.810) 4.131 10.185 ( 0.535 -0.437 0.673) 0.965 10.740 ( 0.153 3.772 0.697) 3.839 10.883 ( 0.399 -2.621 -0.095) 2.653 10.991 ( -1.181 -0.020 -0.307) 1.221 11.023 ( 0.529 -1.089 -0.414) 1.279 ======================= Grid point 106 (51/105) ======================= q-point: ( 0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.248 7.115 1.070) 7.199 1.223 ( -0.778 2.052 -0.800) 2.335 1.351 ( 2.699 6.559 0.809) 7.139 1.412 ( 0.034 5.936 2.418) 6.410 1.481 ( 2.439 1.454 0.497) 2.882 1.647 ( -3.121 3.840 0.803) 5.013 1.811 ( 1.170 -2.454 -1.573) 3.141 1.908 ( 0.017 2.523 0.366) 2.550 1.977 ( 0.905 -2.375 -3.179) 4.070 2.133 ( -0.526 0.066 -2.429) 2.486 2.149 ( 3.008 0.949 4.967) 5.884 2.295 ( 1.068 3.633 -1.093) 3.941 2.324 ( -0.155 -3.812 -1.082) 3.966 2.445 ( -1.930 -4.509 0.438) 4.924 2.514 ( 1.000 -4.038 1.212) 4.333 2.572 ( 1.120 -2.548 0.105) 2.786 2.740 ( 4.772 1.937 3.801) 6.401 2.827 ( 0.753 -1.785 1.353) 2.363 3.012 ( -2.466 0.717 3.227) 4.125 3.046 ( 1.535 -0.691 0.575) 1.779 3.171 ( 2.607 7.759 4.433) 9.309 3.218 ( -0.212 6.175 0.252) 6.184 3.415 ( 2.689 -0.101 0.838) 2.818 3.535 ( -1.935 -3.059 -0.691) 3.685 3.575 ( -2.516 -1.387 0.384) 2.898 3.654 ( -0.311 -3.227 2.390) 4.028 3.858 ( -3.607 4.670 -2.133) 6.275 3.924 ( -0.787 3.517 -0.570) 3.649 4.023 ( 0.808 -2.495 -0.929) 2.782 4.068 ( 1.428 -0.310 -1.924) 2.416 4.194 ( 2.678 0.168 -0.537) 2.737 4.309 ( 1.399 -4.007 0.953) 4.350 4.608 ( 2.155 0.192 -3.559) 4.165 4.645 ( 1.893 -1.279 -7.150) 7.506 5.044 ( -4.293 1.394 2.444) 5.133 5.097 ( -1.210 -1.085 2.394) 2.893 5.674 ( 1.038 -0.870 -0.769) 1.557 5.798 ( 1.451 -5.931 0.768) 6.154 6.615 ( 0.147 2.546 -0.284) 2.566 6.638 ( 0.015 0.964 -0.520) 1.096 8.299 ( -0.205 2.839 0.580) 2.905 8.432 ( -0.622 -2.615 -0.518) 2.737 8.552 ( -1.476 1.816 -0.039) 2.341 8.583 ( -1.211 -0.252 0.579) 1.365 8.730 ( 1.560 2.592 2.052) 3.656 8.841 ( 3.264 0.656 1.915) 3.841 8.987 ( -0.193 -1.219 2.017) 2.365 9.076 ( 0.546 -3.331 -1.143) 3.564 9.212 ( -1.327 0.307 -1.026) 1.705 9.235 ( 1.080 -0.877 0.228) 1.410 9.533 ( -1.191 0.809 -3.272) 3.575 9.644 ( -1.751 -3.311 -4.152) 5.592 9.700 ( -1.175 1.242 -0.888) 1.926 9.808 ( -0.309 -3.165 1.224) 3.408 10.146 ( -0.504 1.599 1.676) 2.370 10.182 ( -0.801 0.158 0.764) 1.119 10.737 ( -0.749 4.097 0.745) 4.231 10.885 ( -0.280 -2.764 -0.272) 2.792 10.975 ( -0.036 0.890 -0.173) 0.908 11.030 ( 0.403 -1.648 -0.190) 1.707 ======================= Grid point 107 (52/105) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 2.352 3.804 -1.121) 4.611 1.205 ( -0.683 1.412 -0.536) 1.657 1.373 ( 0.447 2.789 -2.843) 4.007 1.420 ( -0.259 3.438 0.406) 3.472 1.516 ( 1.107 2.082 -0.723) 2.467 1.618 ( -0.755 2.850 2.122) 3.632 1.801 ( 2.035 1.000 -3.565) 4.225 1.906 ( -0.825 0.266 0.343) 0.932 2.043 ( 2.191 -1.525 -1.172) 2.915 2.136 ( 1.814 -2.229 0.815) 2.987 2.194 ( 1.609 5.046 -0.567) 5.327 2.298 ( -0.332 0.229 -0.287) 0.495 2.354 ( 3.184 1.052 0.733) 3.433 2.451 ( 2.485 -4.095 3.672) 6.035 2.543 ( 0.702 -4.307 -1.783) 4.714 2.609 ( 2.600 -2.499 -1.643) 3.963 2.822 ( 0.815 1.323 3.446) 3.780 2.846 ( 0.602 2.250 3.528) 4.227 2.971 ( -1.822 -2.211 2.731) 3.958 3.069 ( 0.773 -1.890 0.527) 2.108 3.203 ( -0.832 3.625 3.286) 4.963 3.248 ( 1.186 6.143 0.839) 6.312 3.428 ( -1.162 0.244 0.879) 1.477 3.530 ( 2.009 -0.116 0.622) 2.106 3.550 ( -0.735 -1.237 0.193) 1.451 3.621 ( -3.855 -1.319 3.413) 5.315 3.779 ( -2.393 4.326 -1.372) 5.131 3.911 ( -1.025 1.586 -0.948) 2.113 4.024 ( 0.320 -2.614 -1.443) 3.003 4.106 ( 2.699 -1.269 -1.431) 3.308 4.243 ( 2.201 0.996 -0.266) 2.431 4.327 ( 0.112 -2.319 0.628) 2.405 4.644 ( 2.933 0.205 -3.350) 4.457 4.668 ( 3.369 -0.387 -6.819) 7.616 4.975 ( -3.600 1.802 1.963) 4.479 5.075 ( -1.855 -2.510 1.850) 3.628 5.702 ( 1.790 -0.711 -0.112) 1.929 5.824 ( 1.002 -5.851 -0.001) 5.936 6.617 ( 0.221 2.793 -0.590) 2.863 6.641 ( 0.362 1.232 0.202) 1.300 8.281 ( -1.642 3.114 0.084) 3.521 8.415 ( -0.941 -2.666 -0.030) 2.828 8.537 ( -0.252 0.714 0.008) 0.757 8.563 ( -1.005 -0.701 0.405) 1.290 8.755 ( 0.193 3.712 1.363) 3.959 8.890 ( 1.465 0.439 -1.317) 2.018 8.989 ( -0.333 -1.268 1.455) 1.959 9.100 ( 1.973 -3.849 0.062) 4.326 9.192 ( -0.173 2.839 -0.625) 2.913 9.254 ( 0.606 -1.051 0.075) 1.216 9.508 ( -0.143 -0.257 -0.394) 0.492 9.582 ( -2.289 -2.947 -3.572) 5.165 9.698 ( 0.562 1.895 0.884) 2.165 9.805 ( -0.621 -2.534 1.281) 2.907 10.118 ( -2.155 1.316 -0.167) 2.530 10.167 ( -1.230 -0.738 0.421) 1.495 10.721 ( -1.003 4.312 0.439) 4.449 10.870 ( -0.890 -2.663 -0.417) 2.838 10.986 ( 0.837 0.882 0.282) 1.248 11.038 ( 0.455 -1.782 0.080) 1.841 ======================= Grid point 108 (53/105) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 1.214 1.787 -2.395) 3.225 1.206 ( 1.691 0.345 -1.346) 2.189 1.365 ( 0.054 1.345 -3.010) 3.297 1.411 ( 1.154 -0.779 -1.870) 2.331 1.539 ( 1.285 1.987 -0.007) 2.366 1.617 ( 0.290 0.466 -1.187) 1.308 1.853 ( 2.150 0.761 -1.315) 2.633 1.907 ( 0.993 1.801 3.019) 3.653 1.994 ( -2.973 0.527 -2.058) 3.654 2.190 ( 0.906 6.893 0.241) 6.956 2.254 ( 3.710 -2.908 2.141) 5.177 2.320 ( 2.122 2.095 2.716) 4.034 2.411 ( 2.539 -0.484 -2.228) 3.412 2.490 ( 0.680 -2.196 -1.024) 2.516 2.573 ( 1.495 -2.347 3.477) 4.453 2.632 ( 1.486 -2.000 -4.578) 5.212 2.813 ( -3.789 1.048 6.533) 7.625 2.863 ( 1.066 0.514 3.555) 3.746 2.975 ( -0.028 -1.597 1.925) 2.502 3.084 ( 0.455 -1.860 -0.370) 1.951 3.188 ( -1.697 2.580 -1.838) 3.594 3.218 ( -3.002 -0.786 2.950) 4.282 3.425 ( -0.168 1.711 -2.678) 3.183 3.489 ( -3.819 -0.527 -1.628) 4.185 3.567 ( -1.553 0.916 2.988) 3.490 3.611 ( 3.215 1.111 2.324) 4.120 3.784 ( 2.190 3.340 2.449) 4.685 3.855 ( -4.143 1.326 -1.097) 4.486 4.030 ( 0.672 -1.010 -0.934) 1.531 4.142 ( 1.094 -2.972 -0.090) 3.168 4.272 ( 0.760 1.366 0.287) 1.590 4.327 ( -0.008 -0.483 -0.368) 0.607 4.690 ( 3.124 0.577 -3.793) 4.947 4.712 ( 3.756 -0.064 -4.958) 6.221 4.923 ( -2.358 1.783 0.972) 3.112 5.046 ( -1.635 -3.299 1.015) 3.819 5.734 ( 1.272 -1.147 0.086) 1.715 5.837 ( 0.440 -5.468 -0.367) 5.498 6.620 ( 0.335 3.224 -0.491) 3.278 6.653 ( 0.549 1.382 0.970) 1.775 8.249 ( -1.423 3.417 0.142) 3.705 8.401 ( -0.532 -3.399 0.816) 3.536 8.530 ( -0.659 0.770 -0.361) 1.076 8.554 ( 0.117 -1.329 -0.091) 1.338 8.749 ( -0.985 3.878 -0.426) 4.024 8.892 ( 0.151 0.059 -3.555) 3.559 8.990 ( -0.209 -0.110 1.294) 1.315 9.136 ( 1.180 -3.365 0.660) 3.626 9.186 ( -0.198 3.417 -2.618) 4.309 9.271 ( 0.955 -1.811 1.769) 2.706 9.523 ( 0.656 -0.653 0.582) 1.094 9.546 ( 0.279 -1.543 1.085) 1.907 9.720 ( 1.021 2.021 1.211) 2.568 9.792 ( -1.323 -1.024 1.781) 2.444 10.076 ( -1.535 0.636 -1.578) 2.291 10.137 ( -1.590 -2.125 -0.757) 2.759 10.704 ( -0.801 4.261 -0.010) 4.336 10.854 ( -0.575 -2.794 -0.391) 2.879 11.002 ( 0.595 0.774 0.593) 1.142 11.048 ( 0.361 -1.688 0.223) 1.741 ======================= Grid point 109 (54/105) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.841 2.161 -2.056) 3.099 1.229 ( 0.977 0.188 -1.997) 2.231 1.358 ( 0.602 1.107 -2.308) 2.629 1.458 ( 3.103 -2.715 -1.874) 4.529 1.548 ( -0.290 0.747 -1.228) 1.466 1.628 ( 1.678 -3.105 -0.986) 3.665 1.855 ( -0.746 1.053 0.315) 1.328 1.906 ( -1.633 -1.613 1.859) 2.954 2.012 ( 3.841 7.299 -0.756) 8.283 2.194 ( 0.239 5.870 0.255) 5.880 2.286 ( -1.102 -1.979 1.692) 2.827 2.398 ( 2.006 1.572 3.722) 4.511 2.436 ( 1.400 0.181 0.003) 1.412 2.498 ( 1.226 0.902 -2.513) 2.938 2.564 ( -2.091 -0.520 -0.205) 2.164 2.650 ( 0.176 -2.555 0.989) 2.745 2.782 ( -2.367 -1.857 5.674) 6.422 2.900 ( 0.393 -2.490 5.385) 5.945 2.962 ( -2.053 1.706 1.025) 2.859 3.084 ( 0.279 -1.182 0.259) 1.242 3.125 ( -2.794 0.484 -3.266) 4.325 3.188 ( -1.378 -2.466 -1.051) 3.014 3.384 ( -2.013 1.197 -3.309) 4.054 3.430 ( -0.913 1.785 -2.823) 3.463 3.555 ( -1.129 1.370 2.078) 2.733 3.660 ( -0.284 0.496 0.938) 1.099 3.770 ( -2.115 4.095 1.195) 4.762 3.857 ( 2.734 1.152 3.112) 4.300 4.036 ( 0.523 -1.015 -1.839) 2.164 4.148 ( -0.631 -4.430 1.495) 4.718 4.274 ( -0.678 2.211 0.048) 2.313 4.321 ( -0.449 -0.041 -1.064) 1.156 4.723 ( 1.660 1.264 -3.791) 4.327 4.767 ( 3.181 -0.668 -3.088) 4.483 4.895 ( -0.498 2.045 0.296) 2.125 5.028 ( -0.213 -3.629 0.540) 3.675 5.746 ( -0.011 -1.366 -0.038) 1.366 5.841 ( 0.047 -5.243 -0.325) 5.254 6.624 ( 0.188 3.621 -0.184) 3.631 6.668 ( 0.443 1.169 1.336) 1.830 8.235 ( 0.034 3.843 0.358) 3.860 8.403 ( 0.323 -3.611 1.412) 3.891 8.512 ( -0.797 0.873 -1.054) 1.584 8.561 ( 0.495 -1.631 0.074) 1.707 8.719 ( -1.270 2.906 -1.909) 3.702 8.878 ( 0.044 -0.906 -3.427) 3.545 8.985 ( -0.979 1.691 0.746) 2.092 9.138 ( -0.681 -1.808 -0.905) 2.133 9.178 ( 0.393 2.967 -1.153) 3.208 9.288 ( -0.119 -3.965 0.664) 4.022 9.547 ( 1.913 1.460 3.207) 4.009 9.593 ( 2.288 -0.403 2.509) 3.420 9.733 ( -0.312 1.405 0.959) 1.729 9.787 ( 0.151 -0.864 3.169) 3.289 10.045 ( -0.716 0.342 -2.956) 3.060 10.107 ( -0.816 -2.753 -1.719) 3.346 10.692 ( -0.311 4.155 -0.272) 4.176 10.847 ( 0.053 -3.063 -0.413) 3.091 11.012 ( 0.102 0.614 0.833) 1.040 11.052 ( -0.032 -1.416 0.208) 1.432 ======================= Grid point 110 (55/105) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.638 2.479 -1.747) 3.099 1.227 ( -0.267 1.390 -1.935) 2.398 1.356 ( -0.609 1.414 -2.715) 3.121 1.448 ( -2.813 -1.559 -0.818) 3.318 1.546 ( 0.263 0.556 -1.455) 1.580 1.674 ( 2.387 -3.409 2.301) 4.756 1.852 ( 1.353 0.469 -1.241) 1.896 1.916 ( 1.181 -0.216 2.466) 2.743 2.061 ( 1.618 5.633 -1.737) 6.113 2.200 ( -0.528 2.286 -0.164) 2.352 2.262 ( -1.298 -0.797 2.703) 3.103 2.373 ( -2.777 0.008 -1.293) 3.063 2.469 ( -3.711 1.814 -0.919) 4.231 2.498 ( 1.723 2.885 1.749) 3.789 2.547 ( 0.234 -0.226 4.015) 4.028 2.658 ( 1.244 -2.078 -2.279) 3.325 2.738 ( -4.278 0.353 5.639) 7.087 2.868 ( -5.030 -3.359 3.293) 6.887 2.923 ( -4.562 -0.693 3.299) 5.673 3.044 ( -3.538 -2.839 -2.867) 5.366 3.113 ( 2.905 2.107 0.226) 3.596 3.197 ( 3.343 -1.120 -2.065) 4.086 3.346 ( -1.058 1.670 -2.590) 3.258 3.402 ( -0.737 0.548 -2.304) 2.480 3.542 ( -0.829 4.057 1.699) 4.475 3.635 ( -0.474 2.980 0.583) 3.073 3.791 ( 1.668 1.241 3.070) 3.708 3.906 ( 1.657 -0.639 0.671) 1.898 4.042 ( 1.235 -1.187 -3.354) 3.766 4.134 ( -1.469 -4.810 1.767) 5.331 4.244 ( -2.331 2.240 -0.134) 3.236 4.299 ( -1.038 -0.740 -1.856) 2.251 4.715 ( -0.884 1.584 -3.293) 3.759 4.786 ( -0.110 -1.493 -2.833) 3.204 4.921 ( 2.758 2.479 1.171) 3.889 5.049 ( 1.961 -3.250 1.090) 3.949 5.737 ( -0.807 -1.425 0.147) 1.644 5.831 ( -0.970 -5.213 -0.472) 5.324 6.624 ( -0.113 3.736 -0.096) 3.739 6.678 ( -0.069 0.728 1.111) 1.330 8.250 ( 1.149 4.217 0.270) 4.379 8.420 ( 0.529 -2.827 1.091) 3.076 8.496 ( -0.018 0.526 -1.169) 1.282 8.569 ( 0.245 -2.103 0.361) 2.148 8.693 ( -0.514 2.371 -1.640) 2.928 8.864 ( -0.412 -3.033 -2.850) 4.182 8.958 ( -1.554 4.383 0.377) 4.666 9.120 ( -0.985 -1.379 -0.588) 1.794 9.182 ( 0.640 2.319 -0.818) 2.541 9.279 ( -0.749 -4.293 0.443) 4.380 9.609 ( 1.803 2.421 2.625) 4.000 9.630 ( 1.243 1.034 1.030) 1.918 9.747 ( 1.307 -0.536 2.978) 3.296 9.810 ( 0.386 -2.191 3.392) 4.056 10.027 ( 0.480 1.158 -3.602) 3.814 10.094 ( 0.370 -2.095 -1.990) 2.913 10.691 ( 0.338 4.097 -0.207) 4.116 10.852 ( 0.682 -3.348 -0.457) 3.448 11.012 ( -0.447 0.448 0.894) 1.095 11.048 ( -0.380 -1.091 0.120) 1.161 ======================= Grid point 111 (56/105) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.145 4.487 -0.457) 4.995 1.207 ( -0.231 2.693 -1.691) 3.188 1.304 ( -1.927 2.645 -3.641) 4.896 1.389 ( -3.855 -0.179 1.295) 4.071 1.551 ( 1.235 2.699 1.184) 3.195 1.707 ( -0.546 -3.344 1.500) 3.705 1.875 ( 0.253 1.975 -1.032) 2.242 1.955 ( 1.499 -0.007 0.827) 1.712 2.080 ( 1.592 3.786 -1.077) 4.246 2.166 ( -3.772 -1.745 -0.136) 4.158 2.246 ( -1.489 -1.763 1.303) 2.650 2.283 ( -4.873 2.435 -0.261) 5.454 2.383 ( -2.904 0.213 -1.493) 3.273 2.529 ( -1.772 0.099 5.116) 5.415 2.576 ( 2.002 1.670 -0.094) 2.609 2.656 ( -0.456 3.926 -0.301) 3.964 2.683 ( -3.754 -1.162 3.060) 4.981 2.778 ( -4.964 -4.053 4.470) 7.814 2.866 ( -0.067 -1.359 -0.209) 1.377 2.980 ( -1.853 -3.623 -0.789) 4.145 3.150 ( -0.500 4.639 1.548) 4.916 3.264 ( 2.424 1.488 -0.786) 2.950 3.336 ( 3.052 -0.275 -2.376) 3.877 3.388 ( -1.120 -0.856 0.818) 1.631 3.540 ( 0.647 4.016 0.692) 4.126 3.669 ( 3.192 2.511 -0.091) 4.062 3.828 ( 0.966 -0.532 2.373) 2.617 3.943 ( 2.060 -0.028 -0.294) 2.081 4.041 ( -0.654 -1.796 -2.458) 3.114 4.114 ( -0.343 -2.050 -0.753) 2.211 4.189 ( -3.075 0.509 -0.018) 3.117 4.272 ( -0.627 -2.166 -2.182) 3.138 4.669 ( -2.083 1.569 -3.131) 4.075 4.751 ( -1.793 -2.064 -3.409) 4.370 4.990 ( 3.211 2.662 2.221) 4.725 5.102 ( 2.225 -2.463 2.160) 3.960 5.720 ( -0.980 -1.942 0.298) 2.196 5.799 ( -2.000 -4.997 -0.554) 5.411 6.620 ( -0.264 3.507 -0.234) 3.524 6.674 ( -0.623 0.401 0.497) 0.892 8.271 ( 0.727 3.944 -0.102) 4.012 8.430 ( 0.406 -1.868 0.174) 1.920 8.503 ( 0.918 0.224 -0.674) 1.160 8.586 ( 1.476 -2.618 1.209) 3.240 8.687 ( 0.178 2.903 -0.031) 2.909 8.818 ( -3.084 -1.597 -2.609) 4.343 8.951 ( 0.581 3.361 1.249) 3.632 9.091 ( -1.448 -1.293 -0.897) 2.138 9.200 ( 1.163 0.604 -0.111) 1.315 9.267 ( -0.657 -3.516 0.409) 3.601 9.610 ( -0.334 1.923 -2.093) 2.862 9.675 ( 1.365 -0.042 1.592) 2.097 9.787 ( 1.030 -1.334 2.218) 2.786 9.828 ( 0.071 -2.374 2.709) 3.603 10.034 ( 1.534 2.557 -2.371) 3.809 10.110 ( 1.934 -1.234 -0.793) 2.427 10.704 ( 0.933 4.016 0.105) 4.124 10.866 ( 0.848 -3.540 -0.499) 3.674 11.005 ( -0.517 0.393 0.884) 1.097 11.039 ( -0.596 -0.891 -0.170) 1.086 ======================= Grid point 112 (57/105) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -1.934 8.359 1.647) 8.736 1.208 ( 0.914 4.085 -0.128) 4.188 1.274 ( 0.024 3.414 -3.309) 4.755 1.327 ( -2.119 1.114 1.981) 3.107 1.575 ( -2.185 4.751 3.715) 6.415 1.687 ( 0.067 -1.157 0.072) 1.161 1.852 ( -0.918 3.459 -1.153) 3.760 1.918 ( -5.876 4.069 0.610) 7.174 2.051 ( -5.055 -1.572 3.465) 6.327 2.144 ( 4.048 1.311 -0.247) 4.262 2.201 ( -3.289 -4.979 0.025) 5.967 2.266 ( 1.760 -2.491 -2.196) 3.758 2.344 ( -0.665 -0.023 -3.380) 3.445 2.491 ( -3.404 -0.265 4.282) 5.476 2.543 ( -4.181 -1.072 -0.557) 4.352 2.620 ( -1.399 -1.088 0.158) 1.779 2.693 ( 0.785 3.448 5.080) 6.189 2.748 ( -0.748 -3.528 1.495) 3.904 2.877 ( 1.919 -0.511 1.003) 2.225 2.998 ( 3.041 -0.702 0.475) 3.157 3.125 ( -1.848 7.170 1.561) 7.568 3.271 ( -1.080 2.273 -0.301) 2.535 3.354 ( -0.813 -0.412 1.454) 1.716 3.442 ( 6.014 -3.589 -1.806) 7.233 3.571 ( 1.829 2.324 0.195) 2.964 3.715 ( 0.149 -0.591 0.438) 0.750 3.860 ( 1.967 2.430 0.677) 3.199 3.969 ( 0.089 0.930 -0.110) 0.941 4.007 ( -0.777 -0.882 -1.124) 1.626 4.108 ( -1.096 2.484 -2.557) 3.729 4.143 ( -0.334 -3.516 -0.051) 3.532 4.261 ( 0.240 -4.081 -1.273) 4.281 4.619 ( -1.367 1.292 -3.427) 3.909 4.697 ( -1.712 -2.303 -4.525) 5.358 5.055 ( 2.172 2.403 2.568) 4.134 5.136 ( -0.150 -1.387 2.795) 3.124 5.700 ( -1.174 -2.526 -0.800) 2.898 5.763 ( -1.089 -4.837 0.606) 4.995 6.614 ( -0.106 3.055 -0.326) 3.074 6.660 ( -0.816 0.414 -0.109) 0.922 8.279 ( 0.289 3.192 0.168) 3.210 8.437 ( 0.290 -2.730 -0.307) 2.762 8.534 ( 2.497 1.446 0.212) 2.894 8.623 ( 0.894 -1.575 1.285) 2.221 8.695 ( 0.171 2.830 1.013) 3.011 8.745 ( -2.448 0.660 -0.670) 2.623 8.973 ( 0.671 1.121 1.176) 1.758 9.069 ( -0.294 -2.011 0.011) 2.032 9.212 ( 0.166 -0.543 -0.770) 0.957 9.260 ( -0.281 -2.890 0.322) 2.922 9.592 ( -0.296 1.781 -3.221) 3.692 9.687 ( -0.018 -1.919 -0.919) 2.128 9.798 ( -0.594 -1.584 0.266) 1.713 9.823 ( -1.039 -1.600 -0.314) 1.933 10.070 ( 2.270 3.126 1.363) 4.096 10.154 ( 2.243 -0.904 0.378) 2.447 10.725 ( 1.014 3.820 0.453) 3.978 10.877 ( 0.394 -3.149 -0.363) 3.194 11.004 ( -0.113 -0.201 0.828) 0.860 11.024 ( -0.602 -0.628 -0.836) 1.207 ======================= Grid point 113 (58/105) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -0.355 -2.864 -1.835) 3.420 1.226 ( -0.355 2.864 -1.835) 3.420 1.367 ( 3.463 -2.071 0.930) 4.141 1.367 ( 3.463 2.071 0.930) 4.141 1.659 ( -1.604 -7.786 4.323) 9.049 1.659 ( -1.604 7.786 4.323) 9.049 1.874 ( -4.487 -6.326 0.423) 7.767 1.874 ( -4.487 6.326 0.423) 7.767 2.006 ( 1.097 -5.030 1.107) 5.266 2.006 ( 1.097 5.030 1.107) 5.266 2.225 ( 0.338 -3.411 -3.384) 4.817 2.225 ( 0.338 3.411 -3.384) 4.817 2.370 ( -0.495 -5.158 0.091) 5.182 2.370 ( -0.495 5.158 0.091) 5.182 2.530 ( -2.850 -3.850 0.848) 4.865 2.530 ( -2.850 3.850 0.848) 4.865 2.726 ( 1.955 -3.087 2.111) 4.220 2.726 ( 1.955 3.087 2.111) 4.220 3.011 ( 2.020 -2.436 2.024) 3.757 3.011 ( 2.020 2.436 2.024) 3.757 3.287 ( 0.468 -6.386 1.892) 6.677 3.287 ( 0.468 6.386 1.892) 6.677 3.380 ( 1.916 -9.125 -1.349) 9.421 3.380 ( 1.916 9.125 -1.349) 9.421 3.629 ( -1.923 -2.010 2.057) 3.460 3.629 ( -1.923 2.010 2.057) 3.460 3.979 ( 0.580 -1.258 -0.929) 1.668 3.979 ( 0.580 1.258 -0.929) 1.668 4.023 ( -0.575 -5.195 -1.742) 5.510 4.023 ( -0.575 5.195 -1.742) 5.510 4.183 ( 1.423 -3.814 0.503) 4.101 4.183 ( 1.423 3.814 0.503) 4.101 4.619 ( 0.233 -1.581 -5.070) 5.316 4.619 ( 0.233 1.581 -5.070) 5.316 5.108 ( -1.474 -0.642 2.392) 2.882 5.108 ( -1.474 0.642 2.392) 2.882 5.683 ( 0.285 -2.669 -0.023) 2.685 5.683 ( 0.285 2.669 -0.023) 2.685 6.646 ( -0.201 -0.697 -0.331) 0.797 6.646 ( -0.201 0.697 -0.331) 0.797 8.361 ( 0.330 -4.147 0.425) 4.182 8.361 ( 0.330 4.147 0.425) 4.182 8.605 ( -0.481 -1.046 -0.225) 1.173 8.605 ( -0.481 1.046 -0.225) 1.173 8.748 ( 1.448 -2.681 2.480) 3.928 8.748 ( 1.448 2.681 2.480) 3.928 9.008 ( -0.220 -2.729 0.212) 2.746 9.008 ( -0.220 2.729 0.212) 2.746 9.220 ( 0.041 -0.947 -0.079) 0.951 9.220 ( 0.041 0.947 -0.079) 0.951 9.615 ( -0.619 -3.054 -4.407) 5.397 9.615 ( -0.619 3.054 -4.407) 5.397 9.768 ( -1.541 -1.760 -0.414) 2.376 9.768 ( -1.541 1.760 -0.414) 2.376 10.163 ( 1.065 -1.675 1.677) 2.599 10.163 ( 1.065 1.675 1.677) 2.599 10.817 ( 0.307 -3.760 0.488) 3.804 10.817 ( 0.307 3.760 0.488) 3.804 11.002 ( -0.295 -0.947 -0.277) 1.030 11.002 ( -0.295 0.947 -0.277) 1.030 ======================= Grid point 115 (59/105) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.352 -2.679 -1.699) 3.192 1.211 ( -0.352 2.679 -1.699) 3.192 1.432 ( 1.834 -2.923 0.722) 3.525 1.432 ( 1.834 2.923 0.722) 3.525 1.621 ( -3.139 -7.853 2.955) 8.958 1.621 ( -3.139 7.853 2.955) 8.958 1.829 ( 0.782 -5.909 -2.134) 6.331 1.829 ( 0.782 5.909 -2.134) 6.331 2.052 ( 1.379 -5.827 0.450) 6.005 2.052 ( 1.379 5.827 0.450) 6.005 2.225 ( 1.992 -4.077 -0.087) 4.539 2.225 ( 1.992 4.077 -0.087) 4.539 2.372 ( -0.160 -2.882 -0.051) 2.887 2.372 ( -0.160 2.882 -0.051) 2.887 2.505 ( 0.592 -3.246 0.125) 3.302 2.505 ( 0.592 3.246 0.125) 3.302 2.787 ( 3.357 -2.332 1.572) 4.380 2.787 ( 3.357 2.332 1.572) 4.380 3.024 ( -1.631 -0.999 3.057) 3.606 3.024 ( -1.631 0.999 3.057) 3.606 3.311 ( 0.096 -5.798 2.460) 6.299 3.311 ( 0.096 5.798 2.460) 6.299 3.410 ( 2.323 -7.845 -1.335) 8.290 3.410 ( 2.323 7.845 -1.335) 8.290 3.601 ( -1.823 -2.670 2.692) 4.207 3.601 ( -1.823 2.670 2.692) 4.207 3.943 ( -3.307 -3.335 -1.363) 4.890 3.943 ( -3.307 3.335 -1.363) 4.890 4.020 ( 1.271 -3.545 -1.575) 4.082 4.020 ( 1.271 3.545 -1.575) 4.082 4.234 ( 2.751 -3.339 0.824) 4.404 4.234 ( 2.751 3.339 0.824) 4.404 4.621 ( 2.237 -1.012 -5.614) 6.127 4.621 ( 2.237 1.012 -5.614) 6.127 5.072 ( -2.955 -1.375 2.252) 3.962 5.072 ( -2.955 1.375 2.252) 3.962 5.701 ( 1.375 -3.418 -0.027) 3.684 5.701 ( 1.375 3.418 -0.027) 3.684 6.644 ( 0.165 -0.438 -0.344) 0.581 6.644 ( 0.165 0.438 -0.344) 0.581 8.366 ( -0.241 -3.645 0.150) 3.656 8.366 ( -0.241 3.645 0.150) 3.656 8.575 ( -1.799 -0.615 0.134) 1.906 8.575 ( -1.799 0.615 0.134) 1.906 8.805 ( 2.435 -3.950 2.895) 5.470 8.805 ( 2.435 3.950 2.895) 5.470 9.005 ( 0.141 -2.902 -0.549) 2.956 9.005 ( 0.141 2.902 -0.549) 2.956 9.223 ( 0.355 -0.564 0.256) 0.714 9.223 ( 0.355 0.564 0.256) 0.714 9.574 ( -1.488 -3.123 -4.860) 5.965 9.574 ( -1.488 3.123 -4.860) 5.965 9.746 ( -0.553 -2.913 0.421) 2.995 9.746 ( -0.553 2.913 0.421) 2.995 10.172 ( -0.798 -1.020 1.211) 1.773 10.172 ( -0.798 1.020 1.211) 1.773 10.818 ( -0.455 -3.885 0.428) 3.935 10.818 ( -0.455 3.885 0.428) 3.935 10.999 ( 0.188 -1.467 -0.165) 1.488 10.999 ( 0.188 1.467 -0.165) 1.488 ======================= Grid point 117 (60/105) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.093 -1.779 -1.763) 2.506 1.200 ( 0.093 1.779 -1.763) 2.506 1.424 ( -1.735 -2.430 -1.743) 3.457 1.424 ( -1.735 2.430 -1.743) 3.457 1.597 ( -0.190 -4.182 0.068) 4.187 1.597 ( -0.190 4.182 0.068) 4.187 1.859 ( 1.729 -3.736 -0.134) 4.119 1.859 ( 1.729 3.736 -0.134) 4.119 2.069 ( 1.636 -3.588 -0.553) 3.982 2.069 ( 1.636 3.588 -0.553) 3.982 2.282 ( 2.512 -4.367 0.590) 5.073 2.282 ( 2.512 4.367 0.590) 5.073 2.380 ( 1.459 -4.420 0.503) 4.681 2.380 ( 1.459 4.420 0.503) 4.681 2.537 ( 2.202 -3.529 -0.725) 4.222 2.537 ( 2.202 3.529 -0.725) 4.222 2.856 ( 2.083 -2.376 2.454) 4.000 2.856 ( 2.083 2.376 2.454) 4.000 2.994 ( -1.920 -4.490 2.906) 5.682 2.994 ( -1.920 4.490 2.906) 5.682 3.287 ( -3.364 -3.397 2.250) 5.284 3.287 ( -3.364 3.397 2.250) 5.284 3.459 ( 2.529 -4.346 -2.132) 5.462 3.459 ( 2.529 4.346 -2.132) 5.462 3.586 ( -0.901 -2.260 3.852) 4.557 3.586 ( -0.901 2.260 3.852) 4.557 3.873 ( -2.640 -4.531 -1.120) 5.362 3.873 ( -2.640 4.531 -1.120) 5.362 4.047 ( 1.630 -3.694 -0.860) 4.128 4.047 ( 1.630 3.694 -0.860) 4.128 4.281 ( 1.698 -2.321 0.505) 2.920 4.281 ( 1.698 2.321 0.505) 2.920 4.655 ( 3.473 -0.775 -5.459) 6.516 4.655 ( 3.473 0.775 -5.459) 6.516 5.022 ( -2.966 -2.722 1.910) 4.456 5.022 ( -2.966 2.722 1.910) 4.456 5.729 ( 1.417 -3.340 -0.151) 3.631 5.729 ( 1.417 3.340 -0.151) 3.631 6.649 ( 0.447 -0.524 -0.134) 0.702 6.649 ( 0.447 0.524 -0.134) 0.702 8.349 ( -1.372 -3.560 0.001) 3.815 8.349 ( -1.372 3.560 0.001) 3.815 8.549 ( -0.867 -0.587 0.123) 1.054 8.549 ( -0.867 0.587 0.123) 1.054 8.846 ( 0.667 -4.466 1.230) 4.680 8.846 ( 0.667 4.466 1.230) 4.680 9.015 ( 1.071 -3.540 -0.089) 3.700 9.015 ( 1.071 3.540 -0.089) 3.700 9.235 ( 0.652 -1.338 0.099) 1.492 9.235 ( 0.652 1.338 0.099) 1.492 9.528 ( -1.083 -2.122 -2.911) 3.762 9.528 ( -1.083 2.122 -2.911) 3.762 9.749 ( 0.367 -2.924 1.196) 3.181 9.749 ( 0.367 2.924 1.196) 3.181 10.145 ( -2.147 -1.353 0.093) 2.539 10.145 ( -2.147 1.353 0.093) 2.539 10.804 ( -0.917 -3.871 0.039) 3.978 10.804 ( -0.917 3.871 0.039) 3.978 11.007 ( 0.582 -1.321 0.237) 1.463 11.007 ( 0.582 1.321 0.237) 1.463 ======================= Grid point 119 (61/105) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 1.167 -0.678 -2.213) 2.592 1.204 ( 1.167 0.678 -2.213) 2.592 1.391 ( 0.001 -1.298 -3.135) 3.393 1.391 ( 0.001 1.298 -3.135) 3.393 1.588 ( -0.659 -2.482 -0.685) 2.658 1.588 ( -0.659 2.482 -0.685) 2.658 1.877 ( 0.041 -2.014 0.492) 2.073 1.877 ( 0.041 2.014 0.492) 2.073 2.116 ( 2.825 -7.954 0.131) 8.442 2.116 ( 2.825 7.954 0.131) 8.442 2.328 ( 2.134 -3.681 -1.175) 4.414 2.328 ( 2.134 3.681 -1.175) 4.414 2.422 ( 2.149 -4.205 1.994) 5.126 2.422 ( 2.149 4.205 1.994) 5.126 2.573 ( 1.816 -2.693 -0.819) 3.349 2.573 ( 1.816 2.693 -0.819) 3.349 2.862 ( -2.839 -2.312 5.594) 6.686 2.862 ( -2.839 2.312 5.594) 6.686 2.997 ( 1.089 -4.597 0.281) 4.733 2.997 ( 1.089 4.597 0.281) 4.733 3.219 ( -3.864 -0.470 0.912) 3.998 3.219 ( -3.864 0.470 0.912) 3.998 3.461 ( -1.110 -1.885 -2.535) 3.348 3.461 ( -1.110 1.885 -2.535) 3.348 3.601 ( 0.716 -1.941 2.217) 3.032 3.601 ( 0.716 1.941 2.217) 3.032 3.842 ( -0.438 -2.203 0.227) 2.258 3.842 ( -0.438 2.203 0.227) 2.258 4.065 ( 0.180 -3.775 0.713) 3.846 4.065 ( 0.180 3.775 0.713) 3.846 4.307 ( 0.851 -1.548 0.054) 1.767 4.307 ( 0.851 1.548 0.054) 1.767 4.704 ( 3.679 -0.718 -4.845) 6.126 4.704 ( 3.679 0.718 -4.845) 6.126 4.977 ( -2.198 -3.384 1.112) 4.185 4.977 ( -2.198 3.384 1.112) 4.185 5.751 ( 0.861 -2.811 -0.218) 2.948 5.751 ( 0.861 2.811 -0.218) 2.948 6.660 ( 0.554 -0.771 0.281) 0.990 6.660 ( 0.554 0.771 0.281) 0.990 8.324 ( -1.080 -4.006 0.609) 4.194 8.324 ( -1.080 4.006 0.609) 4.194 8.538 ( -0.305 -0.420 -0.545) 0.753 8.538 ( -0.305 0.420 -0.545) 0.753 8.841 ( -0.930 -4.503 -1.352) 4.793 8.841 ( -0.930 4.503 -1.352) 4.793 9.041 ( 1.144 -4.581 1.123) 4.853 9.041 ( 1.144 4.581 1.123) 4.853 9.242 ( 0.110 -1.947 -1.128) 2.253 9.242 ( 0.110 1.947 -1.128) 2.253 9.522 ( 1.129 -0.680 0.870) 1.579 9.522 ( 1.129 0.680 0.870) 1.579 9.762 ( 0.227 -1.945 1.532) 2.486 9.762 ( 0.227 1.945 1.532) 2.486 10.098 ( -2.119 -1.615 -1.192) 2.919 10.098 ( -2.119 1.615 -1.192) 2.919 10.786 ( -0.756 -3.866 -0.342) 3.954 10.786 ( -0.756 3.866 -0.342) 3.954 11.020 ( 0.474 -1.090 0.544) 1.307 11.020 ( 0.474 1.090 0.544) 1.307 ======================= Grid point 121 (62/105) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 1.297 -1.172 -2.201) 2.810 1.220 ( 1.297 1.172 -2.201) 2.810 1.398 ( 1.602 -2.783 -3.047) 4.427 1.398 ( 1.602 2.783 -3.047) 4.427 1.576 ( 0.166 -1.986 -0.939) 2.203 1.576 ( 0.166 1.986 -0.939) 2.203 1.872 ( -0.534 -1.437 1.163) 1.924 1.872 ( -0.534 1.437 1.163) 1.924 2.165 ( 1.924 -7.110 -0.649) 7.394 2.165 ( 1.924 7.110 -0.649) 7.394 2.334 ( -0.726 -5.874 -1.316) 6.063 2.334 ( -0.726 5.874 -1.316) 6.063 2.482 ( 2.561 -3.235 3.321) 5.296 2.482 ( 2.561 3.235 3.321) 5.296 2.593 ( 0.048 -3.096 -0.660) 3.166 2.593 ( 0.048 3.096 -0.660) 3.166 2.823 ( -3.187 -4.879 6.165) 8.484 2.823 ( -3.187 4.879 6.165) 8.484 3.016 ( 0.049 -3.509 1.078) 3.672 3.016 ( 0.049 3.509 1.078) 3.672 3.154 ( -2.308 -1.458 -1.800) 3.270 3.154 ( -2.308 1.458 -1.800) 3.270 3.418 ( -1.586 -1.927 -2.818) 3.764 3.418 ( -1.586 1.927 -2.818) 3.764 3.618 ( 0.368 -3.840 0.690) 3.919 3.618 ( 0.368 3.840 0.690) 3.919 3.845 ( 0.180 -2.673 1.060) 2.881 3.845 ( 0.180 2.673 1.060) 2.881 4.063 ( -0.724 -3.476 1.365) 3.804 4.063 ( -0.724 3.476 1.365) 3.804 4.310 ( -0.589 -1.162 -0.489) 1.392 4.310 ( -0.589 1.162 -0.489) 1.392 4.748 ( 2.421 -1.197 -3.851) 4.704 4.748 ( 2.421 1.197 -3.851) 4.704 4.953 ( -0.252 -3.653 0.573) 3.706 4.953 ( -0.252 3.653 0.573) 3.706 5.759 ( 0.045 -2.592 -0.217) 2.602 5.759 ( 0.045 2.592 -0.217) 2.602 6.671 ( 0.285 -1.040 0.592) 1.230 6.671 ( 0.285 1.040 0.592) 1.230 8.320 ( 0.322 -4.473 1.244) 4.654 8.320 ( 0.322 4.473 1.244) 4.654 8.529 ( -0.300 -1.215 -1.140) 1.693 8.529 ( -0.300 1.215 -1.140) 1.693 8.810 ( -1.232 -4.888 -2.323) 5.550 8.810 ( -1.232 4.888 -2.323) 5.550 9.060 ( 0.110 -4.816 1.147) 4.952 9.060 ( 0.110 4.816 1.147) 4.952 9.231 ( -0.390 -2.338 -1.553) 2.834 9.231 ( -0.390 2.338 -1.553) 2.834 9.575 ( 2.918 -1.258 3.210) 4.516 9.575 ( 2.918 1.258 3.210) 4.516 9.765 ( -0.649 -1.484 1.757) 2.389 9.765 ( -0.649 1.484 1.757) 2.389 10.062 ( -0.652 -1.560 -2.293) 2.849 10.062 ( -0.652 1.560 -2.293) 2.849 10.775 ( -0.197 -4.008 -0.548) 4.050 10.775 ( -0.197 4.008 -0.548) 4.050 11.028 ( 0.049 -0.991 0.675) 1.200 11.028 ( 0.049 0.991 0.675) 1.200 ======================= Grid point 123 (63/105) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 0.659 -1.077 -1.974) 2.344 1.231 ( 0.659 1.077 -1.974) 2.344 1.400 ( -0.472 -2.764 -2.962) 4.079 1.400 ( -0.472 2.764 -2.962) 4.079 1.595 ( 1.679 -3.871 -0.047) 4.220 1.595 ( 1.679 3.871 -0.047) 4.220 1.879 ( 1.011 -2.451 1.119) 2.878 1.879 ( 1.011 2.451 1.119) 2.878 2.173 ( -0.583 -4.568 -1.186) 4.755 2.173 ( -0.583 4.568 -1.186) 4.755 2.308 ( -1.729 -4.801 0.376) 5.116 2.308 ( -1.729 4.801 0.376) 5.116 2.509 ( -2.735 -1.561 2.889) 4.274 2.509 ( -2.735 1.561 2.889) 4.274 2.596 ( 2.778 -3.463 -1.505) 4.688 2.596 ( 2.778 3.463 -1.505) 4.688 2.788 ( -3.799 -4.377 6.197) 8.485 2.788 ( -3.799 4.377 6.197) 8.485 2.963 ( -5.321 -4.130 -0.045) 6.736 2.963 ( -5.321 4.130 -0.045) 6.736 3.161 ( 3.681 -2.313 -1.011) 4.464 3.161 ( 3.681 2.313 -1.011) 4.464 3.386 ( -0.713 -1.944 -2.678) 3.386 3.386 ( -0.713 1.944 -2.678) 3.386 3.626 ( 0.182 -3.464 1.322) 3.712 3.626 ( 0.182 3.464 1.322) 3.712 3.855 ( 0.502 -4.276 0.736) 4.368 3.855 ( 0.502 4.276 0.736) 4.368 4.056 ( -0.149 -2.655 0.239) 2.670 4.056 ( -0.149 2.655 0.239) 2.670 4.279 ( -2.133 -1.302 -0.990) 2.688 4.279 ( -2.133 1.302 -0.990) 2.688 4.751 ( -0.580 -1.904 -3.263) 3.822 4.751 ( -0.580 1.904 -3.263) 3.822 4.981 ( 2.595 -3.393 1.177) 4.431 4.981 ( 2.595 3.393 1.177) 4.431 5.750 ( -0.912 -2.605 -0.232) 2.770 5.750 ( -0.912 2.605 -0.232) 2.770 6.674 ( -0.231 -1.246 0.533) 1.375 6.674 ( -0.231 1.246 0.533) 1.375 8.342 ( 1.123 -4.687 1.179) 4.962 8.342 ( 1.123 4.687 1.179) 4.962 8.518 ( -0.101 -1.863 -1.346) 2.301 8.518 ( -0.101 1.863 -1.346) 2.301 8.782 ( -0.710 -4.929 -1.562) 5.219 8.782 ( -0.710 4.929 -1.562) 5.219 9.053 ( -1.057 -4.722 0.488) 4.863 9.053 ( -1.057 4.722 0.488) 4.863 9.221 ( -0.109 -1.878 -0.765) 2.031 9.221 ( -0.109 1.878 -0.765) 2.031 9.640 ( 2.014 -0.601 1.427) 2.541 9.640 ( 2.014 0.601 1.427) 2.541 9.762 ( -0.247 -2.113 3.253) 3.887 9.762 ( -0.247 2.113 3.253) 3.887 10.056 ( 1.058 -1.712 -2.678) 3.350 10.056 ( 1.058 1.712 -2.678) 3.350 10.775 ( 0.451 -4.198 -0.515) 4.253 10.775 ( 0.451 4.198 -0.515) 4.253 11.027 ( -0.382 -0.975 0.642) 1.229 11.027 ( -0.382 0.975 0.642) 1.229 ======================= Grid point 125 (64/105) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.317 -0.664 -1.467) 1.641 1.232 ( 0.317 0.664 -1.467) 1.641 1.361 ( -1.906 -2.782 -2.616) 4.268 1.361 ( -1.906 2.782 -2.616) 4.268 1.625 ( 0.891 -4.461 1.691) 4.853 1.625 ( 0.891 4.461 1.691) 4.853 1.917 ( 1.971 -2.874 0.288) 3.497 1.917 ( 1.971 2.874 0.288) 3.497 2.149 ( -1.525 -2.304 -0.334) 2.783 2.149 ( -1.525 2.304 -0.334) 2.783 2.248 ( -4.500 -3.594 -0.649) 5.795 2.248 ( -4.500 3.594 -0.649) 5.795 2.454 ( -2.836 -5.226 2.702) 6.531 2.454 ( -2.836 5.226 2.702) 6.531 2.637 ( -0.668 -2.619 -0.582) 2.765 2.637 ( -0.668 2.619 -0.582) 2.765 2.728 ( -3.060 -1.435 3.720) 5.026 2.728 ( -3.060 1.435 3.720) 5.026 2.888 ( -0.774 -4.395 0.192) 4.467 2.888 ( -0.774 4.395 0.192) 4.467 3.243 ( 4.051 -3.642 0.754) 5.500 3.243 ( 4.051 3.642 0.754) 5.500 3.355 ( -1.515 -2.422 -1.787) 3.369 3.355 ( -1.515 2.422 -1.787) 3.369 3.641 ( 0.525 -4.814 1.836) 5.179 3.641 ( 0.525 4.814 1.836) 5.179 3.878 ( 2.007 -4.905 -0.192) 5.303 3.878 ( 2.007 4.905 -0.192) 5.303 4.058 ( 0.121 -2.614 -0.541) 2.673 4.058 ( 0.121 2.614 -0.541) 2.673 4.226 ( -2.443 -2.338 -1.468) 3.686 4.226 ( -2.443 2.338 -1.468) 3.686 4.708 ( -2.068 -2.176 -3.349) 4.498 4.708 ( -2.068 2.176 -3.349) 4.498 5.047 ( 2.989 -2.907 2.161) 4.697 5.047 ( 2.989 2.907 2.161) 4.697 5.723 ( -1.589 -2.202 -0.253) 2.728 5.723 ( -1.589 2.202 -0.253) 2.728 6.667 ( -0.598 -1.269 0.182) 1.415 6.667 ( -0.598 1.269 0.182) 1.415 8.359 ( 0.155 -4.567 0.263) 4.577 8.359 ( 0.155 4.567 0.263) 4.577 8.528 ( 1.820 -2.222 -0.416) 2.902 8.528 ( 1.820 2.222 -0.416) 2.902 8.765 ( -0.799 -3.707 -0.290) 3.803 8.765 ( -0.799 3.707 -0.290) 3.803 9.030 ( -1.267 -4.107 0.246) 4.305 9.030 ( -1.267 4.107 0.246) 4.305 9.219 ( 0.091 -1.422 -0.206) 1.440 9.219 ( 0.091 1.422 -0.206) 1.440 9.653 ( -0.026 -2.122 -1.961) 2.889 9.653 ( -0.026 2.122 -1.961) 2.889 9.787 ( 0.581 -1.425 3.713) 4.019 9.787 ( 0.581 1.425 3.713) 4.019 10.079 ( 2.164 -1.900 -1.512) 3.253 10.079 ( 2.164 1.900 -1.512) 3.253 10.787 ( 0.870 -4.228 -0.249) 4.324 10.787 ( 0.870 4.228 -0.249) 4.324 11.020 ( -0.573 -0.943 0.430) 1.185 11.020 ( -0.573 0.943 0.430) 1.185 ======================= Grid point 127 (65/105) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.323 -1.730 -1.165) 2.110 1.234 ( 0.323 1.730 -1.165) 2.110 1.327 ( 0.053 -2.404 -1.155) 2.668 1.327 ( 0.053 2.404 -1.155) 2.668 1.648 ( 0.509 -2.636 3.230) 4.200 1.648 ( 0.509 2.636 3.230) 4.200 1.933 ( -1.055 -5.194 1.283) 5.453 1.933 ( -1.055 5.194 1.283) 5.453 2.064 ( -6.556 -6.974 0.207) 9.574 2.064 ( -6.556 6.974 0.207) 9.574 2.208 ( 1.585 -3.545 -2.085) 4.407 2.208 ( 1.585 3.545 -2.085) 4.407 2.411 ( -2.809 -5.618 0.119) 6.282 2.411 ( -2.809 5.618 0.119) 6.282 2.584 ( -3.383 -3.345 2.483) 5.367 2.584 ( -3.383 3.345 2.483) 5.367 2.705 ( -0.674 -2.411 1.092) 2.731 2.705 ( -0.674 2.411 1.092) 2.731 2.938 ( 4.133 -4.531 1.208) 6.251 2.938 ( 4.133 4.531 1.208) 6.251 3.289 ( -0.849 -5.811 2.260) 6.293 3.289 ( -0.849 5.811 2.260) 6.293 3.342 ( 2.210 -4.349 -2.335) 5.409 3.342 ( 2.210 4.349 -2.335) 5.409 3.649 ( -0.828 -4.749 2.134) 5.272 3.649 ( -0.828 4.749 2.134) 5.272 3.934 ( 3.684 -3.852 -1.183) 5.460 3.934 ( 3.684 3.852 -1.183) 5.460 4.046 ( -1.129 -4.113 -0.361) 4.281 4.046 ( -1.129 4.113 -0.361) 4.281 4.184 ( -1.044 -3.680 -1.245) 4.023 4.184 ( -1.044 3.680 -1.245) 4.023 4.654 ( -1.646 -2.055 -4.041) 4.823 4.654 ( -1.646 2.055 -4.041) 4.823 5.101 ( 1.177 -2.101 2.538) 3.499 5.101 ( 1.177 2.101 2.538) 3.499 5.693 ( -1.198 -1.842 -0.177) 2.205 5.693 ( -1.198 1.842 -0.177) 2.205 6.655 ( -0.555 -1.056 -0.160) 1.204 6.655 ( -0.555 1.056 -0.160) 1.204 8.357 ( -0.110 -4.445 0.114) 4.448 8.357 ( -0.110 4.445 0.114) 4.448 8.578 ( 2.694 -2.447 0.229) 3.646 8.578 ( 2.694 2.447 0.229) 3.646 8.744 ( -1.256 -1.295 0.817) 1.980 8.744 ( -1.256 1.295 0.817) 1.980 9.013 ( -0.588 -2.842 0.474) 2.941 9.013 ( -0.588 2.842 0.474) 2.941 9.220 ( 0.022 -1.251 -0.160) 1.261 9.220 ( 0.022 1.251 -0.160) 1.261 9.638 ( -0.227 -2.706 -3.259) 4.242 9.638 ( -0.227 2.706 -3.259) 4.242 9.794 ( -0.881 -0.956 0.800) 1.527 9.794 ( -0.881 0.956 0.800) 1.527 10.123 ( 2.298 -2.152 0.709) 3.227 10.123 ( 2.298 2.152 0.709) 3.227 10.804 ( 0.816 -3.956 0.160) 4.043 10.804 ( 0.816 3.956 0.160) 4.043 11.010 ( -0.507 -0.652 0.045) 0.827 11.010 ( -0.507 0.652 0.045) 0.827 ======================= Grid point 153 (66/105) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 3.615 0.000 12.174) 12.699 0.873 ( 3.101 0.000 10.081) 10.548 1.194 ( 5.554 0.000 4.905) 7.410 1.318 ( -5.942 0.000 2.123) 6.310 1.463 ( -0.032 0.000 -6.182) 6.182 1.489 ( 0.912 0.000 2.085) 2.275 1.667 ( -2.720 0.000 0.347) 2.742 1.694 ( 0.188 0.000 3.119) 3.124 1.821 ( -1.164 0.000 9.544) 9.615 2.023 ( -2.443 0.000 -9.135) 9.456 2.169 ( -2.281 0.000 -0.407) 2.317 2.249 ( -3.023 0.000 -0.278) 3.035 2.368 ( 1.991 0.000 -6.461) 6.761 2.623 ( -0.093 0.000 2.840) 2.842 2.693 ( -0.751 0.000 -0.694) 1.022 2.725 ( 0.895 0.000 0.628) 1.093 2.874 ( -0.915 0.000 1.824) 2.040 2.884 ( 1.317 0.000 4.269) 4.467 2.923 ( 0.018 0.000 0.570) 0.570 3.090 ( -0.935 0.000 3.150) 3.286 3.098 ( -0.215 0.000 1.429) 1.445 3.180 ( 3.998 0.000 0.822) 4.082 3.324 ( -0.176 0.000 2.130) 2.137 3.424 ( -0.745 0.000 0.827) 1.113 3.505 ( 3.947 0.000 -10.494) 11.211 3.644 ( -0.637 0.000 0.522) 0.824 3.772 ( -0.270 0.000 -0.922) 0.961 3.845 ( -1.775 0.000 -2.465) 3.037 3.955 ( 0.630 0.000 1.370) 1.508 4.080 ( -0.452 0.000 -4.798) 4.819 4.128 ( 1.591 0.000 0.623) 1.709 4.463 ( -0.523 0.000 0.297) 0.601 4.585 ( 1.427 0.000 -2.765) 3.112 4.706 ( -1.181 0.000 -1.449) 1.870 5.027 ( 0.456 0.000 1.134) 1.223 5.206 ( -1.729 0.000 1.761) 2.468 5.892 ( -0.818 0.000 -0.440) 0.929 6.054 ( 0.259 0.000 0.872) 0.910 6.369 ( 0.641 0.000 0.140) 0.657 6.573 ( -0.679 0.000 -0.658) 0.945 8.266 ( 0.027 0.000 0.483) 0.484 8.377 ( -0.329 0.000 -0.344) 0.476 8.521 ( 2.044 0.000 3.031) 3.656 8.567 ( -1.057 0.000 -1.249) 1.636 8.680 ( -0.080 0.000 0.931) 0.934 8.908 ( 1.164 0.000 0.436) 1.242 8.937 ( -1.302 0.000 -3.474) 3.709 9.136 ( 1.957 0.000 0.748) 2.095 9.278 ( 0.389 0.000 -1.557) 1.605 9.369 ( -2.314 0.000 -0.987) 2.516 9.602 ( 0.936 0.000 0.594) 1.108 9.714 ( -0.392 0.000 -0.892) 0.974 9.881 ( -0.122 0.000 -0.945) 0.952 9.950 ( -0.414 0.000 0.904) 0.994 10.056 ( 2.509 0.000 2.292) 3.398 10.086 ( -2.246 0.000 0.333) 2.270 10.542 ( 0.301 0.000 -0.138) 0.331 10.905 ( -0.593 0.000 -0.384) 0.707 10.996 ( 0.079 0.000 0.404) 0.411 11.092 ( -0.454 0.000 -0.181) 0.489 ======================= Grid point 154 (67/105) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 2.850 0.000 1.413) 3.181 1.053 ( 8.166 0.000 1.266) 8.264 1.180 ( -4.722 0.000 -4.461) 6.496 1.299 ( 2.161 0.000 9.255) 9.504 1.473 ( 1.680 0.000 -4.292) 4.609 1.507 ( 1.892 0.000 1.820) 2.625 1.630 ( -1.365 0.000 1.710) 2.188 1.749 ( 3.562 0.000 0.026) 3.562 1.943 ( -1.335 0.000 -2.985) 3.270 1.986 ( 10.159 0.000 11.357) 15.238 2.160 ( 0.642 0.000 2.523) 2.604 2.199 ( -3.447 0.000 2.758) 4.415 2.366 ( 1.491 0.000 -5.490) 5.689 2.623 ( -1.478 0.000 1.365) 2.012 2.679 ( -0.121 0.000 0.762) 0.772 2.721 ( -0.186 0.000 -0.595) 0.623 2.799 ( -4.555 0.000 0.860) 4.636 2.918 ( -0.261 0.000 2.062) 2.078 2.955 ( 1.114 0.000 1.255) 1.678 3.079 ( -1.126 0.000 -1.813) 2.134 3.124 ( 2.283 0.000 3.449) 4.136 3.237 ( 1.624 0.000 -4.581) 4.861 3.346 ( 1.223 0.000 4.010) 4.193 3.402 ( 0.073 0.000 -1.816) 1.818 3.545 ( 2.930 0.000 -7.591) 8.137 3.624 ( -0.818 0.000 0.724) 1.092 3.769 ( -0.019 0.000 -0.587) 0.588 3.800 ( -1.261 0.000 -0.149) 1.270 4.007 ( -1.276 0.000 1.104) 1.687 4.049 ( 3.679 0.000 -3.500) 5.078 4.159 ( 1.246 0.000 -1.488) 1.941 4.459 ( 0.851 0.000 0.228) 0.881 4.576 ( -2.237 0.000 -4.075) 4.648 4.693 ( 0.383 0.000 1.765) 1.807 5.003 ( -2.216 0.000 0.254) 2.230 5.210 ( 0.120 0.000 2.792) 2.795 5.895 ( 0.981 0.000 1.096) 1.470 6.066 ( 0.653 0.000 -0.011) 0.654 6.366 ( -0.605 0.000 -1.011) 1.179 6.571 ( 0.270 0.000 0.679) 0.731 8.239 ( -2.652 0.000 0.235) 2.663 8.375 ( 0.210 0.000 0.357) 0.415 8.544 ( -0.219 0.000 -0.897) 0.923 8.585 ( 2.521 0.000 0.184) 2.528 8.698 ( 1.386 0.000 0.758) 1.580 8.890 ( -1.786 0.000 -1.979) 2.666 8.933 ( 0.882 0.000 0.361) 0.953 9.108 ( -3.763 0.000 -2.933) 4.771 9.228 ( -3.274 0.000 -0.494) 3.311 9.393 ( 2.803 0.000 2.501) 3.757 9.601 ( -0.832 0.000 -0.516) 0.979 9.690 ( -2.010 0.000 -0.012) 2.010 9.840 ( -3.741 0.000 0.091) 3.742 9.926 ( -1.602 0.000 1.566) 2.240 10.039 ( -1.129 0.000 -0.723) 1.341 10.143 ( 3.742 0.000 1.580) 4.062 10.537 ( -0.546 0.000 -0.537) 0.765 10.918 ( 1.606 0.000 0.683) 1.745 10.971 ( -2.034 0.000 0.066) 2.035 11.105 ( 1.155 0.000 0.331) 1.202 ======================= Grid point 155 (68/105) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 1.430 0.000 -4.928) 5.131 1.156 ( 3.018 0.000 -0.286) 3.032 1.169 ( 5.036 0.000 -3.340) 6.042 1.387 ( 2.066 0.000 4.000) 4.502 1.434 ( -1.965 0.000 0.370) 1.999 1.659 ( 5.159 0.000 1.205) 5.298 1.670 ( 9.030 0.000 8.419) 12.346 1.821 ( 1.336 0.000 -0.695) 1.506 1.880 ( -0.949 0.000 0.338) 1.008 2.114 ( -4.296 0.000 0.520) 4.328 2.159 ( 2.281 0.000 1.839) 2.929 2.261 ( 5.825 0.000 5.361) 7.916 2.391 ( 2.016 0.000 -0.830) 2.180 2.573 ( -3.513 0.000 -0.914) 3.630 2.651 ( -0.051 0.000 -5.975) 5.976 2.676 ( -4.113 0.000 -1.583) 4.407 2.866 ( 6.692 0.000 8.912) 11.145 2.882 ( -2.588 0.000 -1.321) 2.905 2.970 ( -0.266 0.000 3.202) 3.213 3.044 ( -1.398 0.000 -2.362) 2.744 3.179 ( 1.711 0.000 1.656) 2.381 3.245 ( 2.368 0.000 -5.199) 5.713 3.335 ( -2.365 0.000 1.776) 2.957 3.461 ( 3.870 0.000 -0.416) 3.893 3.554 ( 0.091 0.000 -2.933) 2.934 3.605 ( -0.145 0.000 -2.812) 2.816 3.750 ( -1.673 0.000 1.330) 2.137 3.813 ( 1.407 0.000 1.674) 2.187 3.949 ( -1.877 0.000 -2.476) 3.107 4.133 ( 2.363 0.000 -1.584) 2.845 4.171 ( 2.117 0.000 -0.734) 2.240 4.473 ( -5.717 0.000 -2.688) 6.317 4.510 ( 4.417 0.000 -0.982) 4.525 4.721 ( 0.674 0.000 2.893) 2.971 4.965 ( -1.868 0.000 -0.259) 1.886 5.204 ( -1.719 0.000 1.626) 2.366 5.935 ( 2.174 0.000 1.974) 2.936 6.073 ( 0.226 0.000 -0.623) 0.663 6.345 ( -0.790 0.000 -1.627) 1.809 6.581 ( 0.149 0.000 1.724) 1.731 8.179 ( -3.222 0.000 -0.224) 3.230 8.387 ( 0.559 0.000 0.883) 1.045 8.533 ( -0.392 0.000 -1.194) 1.256 8.616 ( 0.710 0.000 -1.308) 1.489 8.730 ( 1.349 0.000 0.226) 1.367 8.857 ( -0.807 0.000 -0.522) 0.961 8.932 ( -0.924 0.000 -3.417) 3.540 9.021 ( -2.343 0.000 -1.412) 2.735 9.181 ( -1.637 0.000 0.940) 1.888 9.461 ( 2.466 0.000 3.254) 4.083 9.571 ( -1.764 0.000 -1.578) 2.367 9.635 ( -3.647 0.000 0.682) 3.710 9.773 ( -2.749 0.000 2.318) 3.596 9.908 ( -0.939 0.000 1.437) 1.716 10.024 ( 0.062 0.000 -1.667) 1.668 10.211 ( 2.469 0.000 0.906) 2.630 10.524 ( -0.458 0.000 -0.550) 0.716 10.930 ( -1.522 0.000 -0.758) 1.700 10.964 ( 1.977 0.000 1.800) 2.674 11.122 ( 0.397 0.000 -0.216) 0.452 ======================= Grid point 156 (69/105) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 4.432 0.000 -4.570) 6.366 1.181 ( 1.063 0.000 -0.586) 1.214 1.279 ( 2.883 0.000 2.413) 3.759 1.380 ( 0.773 0.000 -1.350) 1.555 1.471 ( 3.002 0.000 1.767) 3.483 1.706 ( -5.826 0.000 0.534) 5.851 1.769 ( 4.380 0.000 0.656) 4.429 1.909 ( 7.639 0.000 6.218) 9.850 1.972 ( 4.472 0.000 3.762) 5.844 2.023 ( -4.459 0.000 1.330) 4.653 2.237 ( 5.687 0.000 1.031) 5.780 2.323 ( -0.309 0.000 2.094) 2.117 2.439 ( 1.909 0.000 3.232) 3.753 2.519 ( 0.264 0.000 -2.010) 2.027 2.580 ( -4.137 0.000 -3.089) 5.163 2.655 ( 2.505 0.000 -7.157) 7.583 2.772 ( -6.013 0.000 -2.233) 6.414 2.970 ( -0.284 0.000 6.236) 6.243 3.016 ( -0.891 0.000 -0.112) 0.898 3.051 ( 6.544 0.000 0.867) 6.601 3.190 ( -1.057 0.000 -1.088) 1.517 3.224 ( -4.942 0.000 -1.823) 5.268 3.338 ( 2.782 0.000 1.134) 3.004 3.474 ( -3.566 0.000 -2.992) 4.655 3.500 ( -0.952 0.000 -1.924) 2.146 3.633 ( 0.871 0.000 -4.950) 5.026 3.760 ( 1.966 0.000 6.954) 7.226 3.830 ( 0.152 0.000 5.762) 5.764 3.954 ( 2.955 0.000 -2.043) 3.593 4.121 ( -0.711 0.000 -3.290) 3.366 4.230 ( 2.204 0.000 -1.216) 2.517 4.365 ( -3.354 0.000 -2.394) 4.121 4.602 ( 4.713 0.000 -1.479) 4.939 4.739 ( 0.511 0.000 2.512) 2.563 4.914 ( -3.370 0.000 -0.473) 3.403 5.172 ( -1.561 0.000 0.441) 1.622 5.978 ( 1.141 0.000 1.389) 1.797 6.074 ( 0.269 0.000 -0.543) 0.606 6.326 ( -0.437 0.000 -1.370) 1.438 6.593 ( 0.370 0.000 1.978) 2.012 8.121 ( -2.325 0.000 -0.479) 2.374 8.397 ( 0.033 0.000 0.682) 0.683 8.521 ( -0.626 0.000 -0.107) 0.635 8.604 ( -0.590 0.000 -2.961) 3.019 8.738 ( -0.563 0.000 -0.116) 0.575 8.858 ( 0.728 0.000 -1.468) 1.638 8.901 ( 0.487 0.000 -2.292) 2.343 9.005 ( -0.175 0.000 0.169) 0.243 9.168 ( -0.269 0.000 0.928) 0.966 9.480 ( -1.720 0.000 -1.341) 2.181 9.545 ( -0.373 0.000 -0.358) 0.517 9.572 ( -2.325 0.000 3.635) 4.315 9.764 ( 0.275 0.000 3.122) 3.135 9.900 ( -0.439 0.000 0.808) 0.920 10.022 ( 0.221 0.000 -1.369) 1.387 10.244 ( 0.690 0.000 0.274) 0.743 10.517 ( -0.088 0.000 -0.396) 0.405 10.902 ( -0.935 0.000 -0.738) 1.191 11.010 ( 1.765 0.000 2.074) 2.723 11.118 ( -0.419 0.000 -1.040) 1.122 ======================= Grid point 157 (70/105) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.498 0.000 -2.748) 2.793 1.193 ( -0.465 0.000 -0.327) 0.569 1.292 ( -0.734 0.000 0.755) 1.053 1.397 ( 2.026 0.000 -0.333) 2.054 1.546 ( -0.067 0.000 -0.672) 0.675 1.632 ( -0.091 0.000 7.027) 7.028 1.800 ( -1.355 0.000 -6.406) 6.547 1.964 ( 0.964 0.000 0.882) 1.307 2.012 ( 1.666 0.000 1.220) 2.065 2.077 ( 2.969 0.000 5.952) 6.651 2.304 ( -0.638 0.000 2.658) 2.734 2.359 ( 3.139 0.000 5.293) 6.154 2.432 ( -3.401 0.000 -5.134) 6.158 2.496 ( -1.615 0.000 0.985) 1.891 2.592 ( -4.256 0.000 -0.948) 4.360 2.617 ( 3.394 0.000 -1.321) 3.642 2.730 ( 3.553 0.000 -6.753) 7.631 2.984 ( -2.907 0.000 2.556) 3.871 3.012 ( 2.439 0.000 2.904) 3.792 3.071 ( -5.323 0.000 0.108) 5.325 3.136 ( -1.227 0.000 -0.624) 1.377 3.175 ( 1.726 0.000 -0.420) 1.776 3.367 ( -0.008 0.000 -0.966) 0.966 3.422 ( -0.745 0.000 -2.041) 2.173 3.458 ( -2.922 0.000 3.928) 4.896 3.581 ( -3.275 0.000 -0.897) 3.395 3.812 ( 1.254 0.000 3.696) 3.903 3.905 ( 2.320 0.000 3.227) 3.974 4.010 ( 1.983 0.000 0.250) 1.998 4.098 ( -0.150 0.000 -2.653) 2.657 4.216 ( -0.954 0.000 -2.962) 3.112 4.348 ( 1.562 0.000 -3.623) 3.945 4.645 ( -0.158 0.000 -0.380) 0.411 4.786 ( 3.140 0.000 -0.277) 3.152 4.850 ( -1.567 0.000 -0.267) 1.590 5.156 ( -0.121 0.000 0.208) 0.240 5.992 ( 0.111 0.000 0.570) 0.581 6.077 ( -0.009 0.000 -0.209) 0.209 6.316 ( -0.104 0.000 -0.842) 0.849 6.611 ( 0.653 0.000 1.068) 1.251 8.092 ( -0.365 0.000 -0.146) 0.394 8.396 ( -0.156 0.000 0.422) 0.450 8.512 ( 0.091 0.000 0.318) 0.331 8.581 ( -0.709 0.000 -2.239) 2.348 8.726 ( -0.233 0.000 0.005) 0.233 8.848 ( -0.767 0.000 -2.487) 2.603 8.931 ( 1.465 0.000 1.907) 2.405 8.994 ( -0.629 0.000 -1.725) 1.836 9.176 ( 0.755 0.000 0.116) 0.764 9.437 ( -1.231 0.000 -0.791) 1.463 9.516 ( -1.045 0.000 0.572) 1.192 9.595 ( 1.383 0.000 2.874) 3.190 9.790 ( 0.902 0.000 1.614) 1.848 9.896 ( -0.086 0.000 0.021) 0.089 10.018 ( -0.372 0.000 -0.276) 0.464 10.244 ( -0.614 0.000 0.444) 0.757 10.516 ( 0.131 0.000 -0.377) 0.399 10.888 ( -0.177 0.000 -0.408) 0.445 11.048 ( 1.151 0.000 1.928) 2.246 11.099 ( -0.900 0.000 -1.470) 1.724 ======================= Grid point 158 (71/105) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -7.829 0.000 0.191) 7.831 1.159 ( -2.718 0.000 1.413) 3.063 1.284 ( -0.206 0.000 1.714) 1.726 1.384 ( -9.918 0.000 -3.042) 10.374 1.500 ( 3.208 0.000 -1.006) 3.362 1.700 ( 2.116 0.000 6.449) 6.787 1.771 ( 0.789 0.000 -4.393) 4.463 1.940 ( -3.298 0.000 0.450) 3.329 2.081 ( 1.870 0.000 -3.533) 3.997 2.106 ( -0.449 0.000 0.505) 0.675 2.257 ( -7.475 0.000 -3.150) 8.112 2.347 ( -0.189 0.000 3.890) 3.894 2.403 ( -1.856 0.000 -0.644) 1.965 2.472 ( 0.965 0.000 5.949) 6.027 2.513 ( -2.479 0.000 -0.486) 2.526 2.625 ( -0.833 0.000 -2.902) 3.019 2.783 ( 4.998 0.000 -3.196) 5.932 2.949 ( -2.173 0.000 4.695) 5.173 3.015 ( -3.067 0.000 3.959) 5.008 3.076 ( -1.186 0.000 -1.993) 2.319 3.142 ( 5.956 0.000 2.356) 6.405 3.203 ( 0.264 0.000 0.643) 0.695 3.347 ( -3.935 0.000 1.400) 4.177 3.407 ( 1.015 0.000 1.822) 2.086 3.433 ( -0.288 0.000 1.146) 1.182 3.543 ( -1.084 0.000 2.668) 2.880 3.850 ( 1.380 0.000 2.042) 2.464 3.911 ( -1.385 0.000 -1.712) 2.202 3.973 ( -3.592 0.000 -4.355) 5.645 4.098 ( 1.118 0.000 -1.807) 2.125 4.236 ( 2.295 0.000 -1.250) 2.613 4.348 ( -0.104 0.000 -1.175) 1.179 4.615 ( -1.556 0.000 -2.379) 2.843 4.800 ( 0.674 0.000 -2.799) 2.879 4.896 ( 3.336 0.000 1.144) 3.527 5.172 ( 1.697 0.000 0.434) 1.751 5.996 ( 0.066 0.000 0.194) 0.205 6.066 ( -1.097 0.000 -0.047) 1.098 6.315 ( 0.219 0.000 -0.382) 0.440 6.623 ( 0.454 0.000 -0.531) 0.699 8.108 ( 1.875 0.000 0.554) 1.955 8.398 ( 0.118 0.000 0.571) 0.583 8.522 ( -0.460 0.000 -0.702) 0.839 8.569 ( 1.269 0.000 0.597) 1.402 8.729 ( 0.268 0.000 0.868) 0.909 8.814 ( -1.866 0.000 -0.205) 1.877 8.925 ( -2.191 0.000 -1.604) 2.715 8.997 ( 1.521 0.000 0.128) 1.526 9.193 ( 1.206 0.000 -1.243) 1.732 9.440 ( 1.241 0.000 1.672) 2.082 9.520 ( 0.610 0.000 1.679) 1.787 9.635 ( 2.160 0.000 -0.511) 2.220 9.804 ( 0.437 0.000 -0.318) 0.540 9.898 ( 0.308 0.000 -0.011) 0.309 10.003 ( -1.189 0.000 0.710) 1.384 10.229 ( -1.324 0.000 1.377) 1.910 10.518 ( 0.239 0.000 -0.467) 0.524 10.892 ( 0.628 0.000 0.122) 0.640 11.052 ( -1.331 0.000 -1.300) 1.860 11.091 ( 0.613 0.000 1.112) 1.270 ======================= Grid point 159 (72/105) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -6.610 0.000 7.867) 10.276 1.050 ( -12.865 0.000 5.415) 13.958 1.173 ( -5.224 0.000 -2.138) 5.644 1.305 ( 0.953 0.000 3.823) 3.940 1.551 ( 1.845 0.000 -2.375) 3.008 1.686 ( -4.636 0.000 -1.298) 4.815 1.779 ( -10.081 0.000 -2.217) 10.322 1.817 ( 0.792 0.000 1.907) 2.065 1.953 ( -7.836 0.000 -2.207) 8.141 2.104 ( -0.277 0.000 2.763) 2.776 2.224 ( 3.304 0.000 -3.718) 4.974 2.310 ( -1.599 0.000 -2.774) 3.202 2.435 ( -2.347 0.000 -3.801) 4.467 2.481 ( 4.672 0.000 5.552) 7.256 2.547 ( 2.982 0.000 3.954) 4.952 2.648 ( 3.040 0.000 0.249) 3.050 2.855 ( 1.721 0.000 0.858) 1.923 2.928 ( -2.095 0.000 5.029) 5.448 2.972 ( -2.115 0.000 2.106) 2.985 3.043 ( -1.615 0.000 0.028) 1.615 3.149 ( -4.716 0.000 1.586) 4.976 3.199 ( -0.931 0.000 -0.665) 1.144 3.344 ( -1.070 0.000 0.511) 1.186 3.388 ( 1.642 0.000 3.896) 4.228 3.482 ( 0.375 0.000 0.318) 0.491 3.556 ( 2.746 0.000 1.537) 3.147 3.842 ( -2.725 0.000 0.841) 2.852 3.882 ( -0.487 0.000 -7.593) 7.609 3.932 ( 2.646 0.000 -1.160) 2.889 4.117 ( 1.017 0.000 -0.580) 1.171 4.205 ( -4.366 0.000 -3.175) 5.399 4.381 ( 2.831 0.000 2.685) 3.902 4.583 ( -0.103 0.000 -4.069) 4.070 4.795 ( -0.253 0.000 -4.151) 4.159 4.947 ( 1.596 0.000 1.380) 2.110 5.218 ( 2.251 0.000 0.489) 2.303 5.980 ( -1.676 0.000 -1.821) 2.475 6.049 ( -0.559 0.000 1.535) 1.633 6.323 ( 0.719 0.000 0.148) 0.734 6.622 ( -0.150 0.000 -1.778) 1.785 8.164 ( 3.273 0.000 0.991) 3.420 8.401 ( -0.179 0.000 -0.083) 0.197 8.492 ( -1.609 0.000 1.087) 1.942 8.617 ( 1.524 0.000 -0.591) 1.634 8.734 ( -1.116 0.000 -0.066) 1.117 8.807 ( 2.390 0.000 5.425) 5.928 8.883 ( -0.679 0.000 -1.517) 1.662 9.025 ( 1.246 0.000 -0.570) 1.370 9.215 ( 1.933 0.000 -1.997) 2.779 9.481 ( 1.205 0.000 1.927) 2.273 9.531 ( -0.230 0.000 1.231) 1.252 9.676 ( 2.796 0.000 -2.589) 3.811 9.818 ( 1.580 0.000 -1.022) 1.882 9.908 ( 0.579 0.000 0.837) 1.018 9.986 ( -0.725 0.000 1.823) 1.962 10.201 ( -2.355 0.000 1.679) 2.892 10.522 ( 0.396 0.000 -0.403) 0.565 10.914 ( 1.429 0.000 0.638) 1.565 11.008 ( -2.122 0.000 -2.126) 3.003 11.110 ( 0.556 0.000 0.978) 1.125 ======================= Grid point 160 (73/105) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -1.629 0.000 13.768) 13.864 0.850 ( -7.367 0.000 14.309) 16.094 1.120 ( -0.743 0.000 2.075) 2.204 1.348 ( 0.582 0.000 5.696) 5.726 1.516 ( -4.537 0.000 -0.301) 4.547 1.548 ( -5.545 0.000 -5.313) 7.680 1.656 ( 0.004 0.000 -1.003) 1.003 1.798 ( -6.470 0.000 -0.849) 6.525 1.839 ( -2.647 0.000 5.523) 6.125 2.090 ( -1.828 0.000 -1.136) 2.152 2.249 ( -3.268 0.000 -3.559) 4.832 2.292 ( 2.517 0.000 -3.412) 4.240 2.358 ( -1.205 0.000 -7.924) 8.015 2.601 ( 2.191 0.000 2.542) 3.356 2.616 ( 5.058 0.000 3.670) 6.249 2.723 ( 2.246 0.000 1.965) 2.984 2.840 ( -0.959 0.000 -1.357) 1.662 2.889 ( -3.364 0.000 6.618) 7.424 2.952 ( -1.859 0.000 2.822) 3.379 3.055 ( 3.089 0.000 0.316) 3.106 3.105 ( -1.108 0.000 3.124) 3.314 3.158 ( -2.508 0.000 1.118) 2.746 3.318 ( -0.614 0.000 1.843) 1.943 3.427 ( 0.124 0.000 0.057) 0.136 3.485 ( 1.826 0.000 -4.259) 4.634 3.624 ( 2.344 0.000 1.336) 2.698 3.795 ( -1.653 0.000 -1.742) 2.401 3.856 ( 0.833 0.000 -4.286) 4.366 3.986 ( 0.728 0.000 -0.625) 0.960 4.093 ( -3.165 0.000 -2.670) 4.140 4.124 ( -0.316 0.000 -0.234) 0.393 4.445 ( 2.326 0.000 0.683) 2.424 4.576 ( 0.679 0.000 -2.669) 2.754 4.750 ( -2.073 0.000 -3.979) 4.486 4.987 ( 2.069 0.000 1.717) 2.689 5.238 ( -0.738 0.000 0.269) 0.786 5.928 ( -2.246 0.000 -1.893) 2.938 6.050 ( -0.256 0.000 1.534) 1.555 6.345 ( 1.304 0.000 0.609) 1.439 6.600 ( -1.211 0.000 -1.828) 2.192 8.232 ( 2.897 0.000 0.837) 3.016 8.389 ( -0.598 0.000 -0.914) 1.092 8.485 ( -0.048 0.000 3.640) 3.640 8.603 ( -1.627 0.000 -1.531) 2.234 8.696 ( -1.820 0.000 0.406) 1.864 8.885 ( 1.007 0.000 -0.389) 1.079 8.930 ( 4.533 0.000 1.625) 4.815 9.055 ( 3.148 0.000 0.866) 3.265 9.251 ( 2.432 0.000 -2.198) 3.278 9.448 ( -3.596 0.000 -2.218) 4.225 9.562 ( 1.981 0.000 2.832) 3.456 9.712 ( 1.491 0.000 -2.154) 2.620 9.858 ( 2.622 0.000 -1.099) 2.843 9.928 ( 1.005 0.000 1.525) 1.826 10.002 ( 1.428 0.000 2.433) 2.821 10.149 ( -3.513 0.000 1.041) 3.663 10.531 ( 0.666 0.000 -0.068) 0.670 10.933 ( -0.916 0.000 -0.384) 0.993 10.974 ( 0.658 0.000 -0.646) 0.922 11.112 ( -0.660 0.000 -0.254) 0.708 ======================= Grid point 161 (74/105) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.654 6.595 10.690) 12.578 0.957 ( 2.143 6.318 6.612) 9.393 1.221 ( 4.460 2.065 3.929) 6.292 1.304 ( -3.182 0.141 4.002) 5.114 1.451 ( -1.126 -1.080 -4.508) 4.770 1.496 ( -0.540 0.710 -1.799) 2.008 1.669 ( 0.377 0.986 -4.035) 4.171 1.771 ( -2.574 5.129 2.373) 6.210 1.918 ( 0.879 9.012 9.076) 12.820 2.029 ( -1.682 0.859 -5.752) 6.054 2.177 ( -1.393 0.631 -0.512) 1.613 2.260 ( -3.740 0.482 1.900) 4.223 2.380 ( 2.486 0.282 -5.846) 6.359 2.600 ( -0.140 -1.386 2.068) 2.493 2.682 ( -1.514 -0.660 -0.010) 1.652 2.728 ( 0.866 -1.132 1.245) 1.893 2.796 ( 0.697 -5.627 3.250) 6.536 2.856 ( 1.186 -2.047 1.808) 2.977 2.957 ( 0.567 1.538 0.309) 1.668 3.080 ( -2.356 -0.543 3.788) 4.493 3.112 ( -0.526 1.065 2.964) 3.193 3.182 ( 2.480 1.302 -1.170) 3.036 3.276 ( -0.352 -2.466 0.891) 2.645 3.495 ( 3.734 0.930 -8.092) 8.960 3.526 ( 1.218 4.949 0.880) 5.172 3.664 ( -0.693 1.798 0.332) 1.956 3.757 ( -0.203 -0.998 -2.099) 2.333 3.852 ( -1.925 0.895 -2.173) 3.038 3.982 ( 0.106 2.222 2.100) 3.060 4.085 ( -0.872 0.328 -3.708) 3.824 4.114 ( 2.195 -1.271 -0.418) 2.571 4.453 ( -0.311 -1.074 1.447) 1.829 4.558 ( 1.477 -2.372 -3.672) 4.614 4.665 ( -1.198 -3.483 -1.632) 4.029 5.055 ( 0.346 2.275 1.146) 2.571 5.199 ( -1.601 -0.682 1.776) 2.486 5.827 ( -0.758 -5.500 -0.642) 5.589 6.017 ( 0.422 -3.558 0.988) 3.717 6.431 ( 0.455 5.162 -0.102) 5.183 6.584 ( -0.605 0.996 -0.605) 1.313 8.258 ( 0.259 -0.382 0.465) 0.655 8.398 ( -0.237 2.052 -0.342) 2.094 8.547 ( 0.934 1.880 2.303) 3.116 8.582 ( -0.435 1.147 -0.844) 1.489 8.644 ( 0.018 -2.173 0.177) 2.180 8.892 ( 1.068 -1.415 1.901) 2.599 8.992 ( -0.858 3.952 -3.143) 5.122 9.101 ( 1.855 -2.550 1.437) 3.465 9.243 ( 0.155 -2.860 -1.838) 3.403 9.343 ( -2.030 -2.490 -1.018) 3.370 9.597 ( 0.525 -0.580 0.979) 1.253 9.697 ( -0.416 -1.813 -0.708) 1.991 9.809 ( -0.682 -5.067 -1.240) 5.261 9.955 ( -0.405 -1.080 1.261) 1.709 10.082 ( 2.938 2.323 2.498) 4.502 10.115 ( -2.034 2.587 -0.782) 3.383 10.588 ( 0.161 3.916 -0.315) 3.932 10.909 ( -0.426 0.224 -0.549) 0.730 10.988 ( -0.191 -0.611 0.087) 0.646 11.078 ( -0.070 -1.255 -0.057) 1.258 ======================= Grid point 162 (75/105) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.324 3.738 2.998) 5.325 1.072 ( 5.991 2.414 2.026) 6.769 1.193 ( -3.315 1.328 -1.917) 4.054 1.341 ( 2.290 3.726 7.081) 8.322 1.453 ( 1.244 -1.743 -2.275) 3.124 1.503 ( 2.222 0.612 -0.671) 2.400 1.665 ( 0.940 2.785 -0.482) 2.979 1.781 ( 1.819 3.628 1.421) 4.300 1.973 ( -1.553 2.067 -4.537) 5.222 2.031 ( 5.916 3.088 7.574) 10.095 2.166 ( -0.285 0.463 1.044) 1.177 2.219 ( -1.994 2.222 4.706) 5.573 2.390 ( 1.575 1.019 -4.256) 4.650 2.594 ( -1.675 -1.789 1.604) 2.929 2.662 ( -0.926 -1.221 0.753) 1.707 2.716 ( 0.108 -0.667 0.392) 0.781 2.836 ( 0.650 -0.581 0.034) 0.873 2.885 ( 0.819 0.089 1.740) 1.925 2.936 ( -1.471 -1.865 -0.274) 2.391 3.058 ( -0.583 -0.496 2.526) 2.640 3.130 ( 0.824 0.337 2.196) 2.369 3.231 ( 2.014 -0.043 -3.531) 4.065 3.315 ( 3.912 -1.671 3.533) 5.530 3.468 ( -1.536 4.473 -5.862) 7.532 3.563 ( 0.780 0.950 -3.986) 4.171 3.640 ( -0.652 1.791 0.034) 1.907 3.756 ( 0.792 -0.898 -1.453) 1.882 3.816 ( -1.643 1.383 1.194) 2.457 4.017 ( -0.251 0.942 1.329) 1.648 4.058 ( 2.165 0.732 -2.876) 3.674 4.147 ( 1.476 -1.129 -1.896) 2.655 4.455 ( 0.763 -0.566 1.008) 1.386 4.549 ( -1.754 -2.420 -4.902) 5.741 4.663 ( 1.351 -2.640 1.445) 3.298 5.022 ( -2.996 1.611 0.504) 3.439 5.202 ( -0.050 -0.785 2.667) 2.781 5.832 ( 1.191 -5.299 0.907) 5.507 6.029 ( 0.535 -3.588 -0.162) 3.631 6.427 ( -0.602 5.071 -0.835) 5.174 6.583 ( 0.349 1.102 0.634) 1.318 8.240 ( -2.015 0.304 -0.083) 2.039 8.394 ( -0.039 1.875 0.214) 1.888 8.548 ( -0.381 0.218 -0.045) 0.441 8.607 ( 1.798 1.721 0.280) 2.505 8.658 ( 1.287 -2.484 -0.219) 2.806 8.894 ( -1.253 -0.679 -1.212) 1.871 8.975 ( 0.173 3.780 -0.057) 3.785 9.093 ( -2.035 -0.879 -2.516) 3.353 9.193 ( -3.194 -2.786 -0.382) 4.255 9.363 ( 2.537 -2.771 2.264) 4.386 9.598 ( -0.496 -0.262 0.102) 0.570 9.679 ( -1.418 -1.292 0.174) 1.926 9.782 ( -1.845 -4.878 0.440) 5.234 9.931 ( -2.175 -0.184 1.449) 2.621 10.066 ( -1.922 2.334 -1.516) 3.382 10.150 ( 2.775 0.839 1.249) 3.157 10.579 ( -0.766 3.697 -0.332) 3.790 10.920 ( 1.307 0.015 0.385) 1.362 10.966 ( -1.562 -0.322 0.199) 1.607 11.092 ( 1.046 -1.241 0.045) 1.623 ======================= Grid point 163 (76/105) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 1.734 4.034 -1.997) 4.823 1.156 ( 2.231 0.216 -0.535) 2.304 1.192 ( 4.689 2.460 -1.502) 5.504 1.402 ( 0.161 1.140 1.417) 1.826 1.471 ( 1.388 1.650 1.617) 2.696 1.597 ( 6.198 -2.744 6.937) 9.699 1.703 ( 2.876 3.196 2.194) 4.827 1.855 ( 2.819 2.713 0.226) 3.919 1.917 ( -1.174 2.876 -0.950) 3.248 2.090 ( -1.344 -0.581 1.119) 1.843 2.177 ( 1.332 0.075 1.526) 2.027 2.265 ( 4.189 1.381 1.833) 4.777 2.408 ( 0.829 -0.624 -1.353) 1.705 2.551 ( -2.636 -0.512 0.432) 2.719 2.618 ( -2.183 -1.164 -2.316) 3.389 2.737 ( 0.067 2.505 -2.033) 3.227 2.819 ( -2.958 -4.284 -2.383) 5.725 2.921 ( 4.507 3.730 5.092) 7.756 2.955 ( 1.636 -0.952 2.608) 3.223 3.060 ( -0.849 1.494 0.391) 1.762 3.153 ( 0.813 -1.749 2.364) 3.051 3.258 ( 2.605 1.120 -2.891) 4.050 3.377 ( -2.031 1.918 1.627) 3.233 3.436 ( 2.793 -0.118 -3.673) 4.615 3.549 ( -0.913 -0.396 -1.785) 2.044 3.624 ( 0.586 1.162 -3.408) 3.649 3.768 ( 0.149 -0.434 0.300) 0.548 3.790 ( -1.685 0.750 2.680) 3.253 3.995 ( -0.063 3.481 -1.662) 3.858 4.112 ( 1.483 -1.832 -1.432) 2.758 4.171 ( 2.716 -0.162 -0.982) 2.892 4.449 ( -4.725 -2.241 -1.467) 5.432 4.516 ( 4.033 0.533 -2.228) 4.639 4.703 ( 1.276 -1.647 2.523) 3.272 4.968 ( -2.641 0.353 0.060) 2.665 5.192 ( -1.831 -1.129 1.599) 2.680 5.874 ( 2.163 -5.164 1.713) 5.855 6.034 ( 0.210 -3.725 -0.858) 3.828 6.409 ( -0.618 5.343 -1.156) 5.501 6.595 ( 0.347 1.315 1.605) 2.104 8.189 ( -2.818 1.072 -0.470) 3.051 8.401 ( 0.531 1.399 0.675) 1.642 8.538 ( -0.711 0.212 -0.684) 1.009 8.620 ( -0.142 0.206 -1.535) 1.555 8.697 ( 2.242 -1.838 1.194) 3.135 8.855 ( -1.467 -1.562 -2.278) 3.128 8.957 ( -1.825 2.887 -2.676) 4.339 9.050 ( -0.478 2.647 -1.588) 3.124 9.151 ( -1.383 -2.434 1.419) 3.139 9.425 ( 2.282 -3.141 2.729) 4.746 9.577 ( -1.575 0.361 -1.048) 1.926 9.644 ( -2.371 0.418 1.382) 2.776 9.751 ( -1.424 -2.523 2.649) 3.925 9.899 ( -1.512 -0.524 1.624) 2.280 10.030 ( -0.916 0.716 -2.444) 2.706 10.198 ( 1.695 -1.039 0.284) 2.008 10.562 ( -0.700 3.415 -0.265) 3.496 10.926 ( -1.122 -0.515 -0.270) 1.264 10.966 ( 1.661 0.366 1.341) 2.166 11.107 ( 0.437 -1.395 -0.365) 1.507 ======================= Grid point 164 (77/105) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 3.292 3.544 -2.670) 5.525 1.180 ( 1.074 -0.112 -0.506) 1.192 1.298 ( 3.564 1.603 2.604) 4.696 1.419 ( 3.185 1.629 -1.965) 4.081 1.495 ( 0.437 3.550 2.634) 4.442 1.706 ( -0.517 -3.493 0.592) 3.581 1.746 ( -0.809 -0.179 2.103) 2.260 1.855 ( 3.942 1.172 4.386) 6.012 1.967 ( 0.959 -0.929 1.142) 1.757 2.103 ( 1.256 3.802 2.463) 4.701 2.244 ( 5.706 1.113 0.905) 5.884 2.322 ( 0.885 -0.040 1.555) 1.790 2.401 ( -0.800 -2.614 -0.492) 2.777 2.520 ( -0.106 -0.272 -2.497) 2.514 2.584 ( -0.170 2.015 0.365) 2.055 2.708 ( -2.883 -3.139 -1.670) 4.578 2.754 ( 0.202 4.993 -5.228) 7.233 2.970 ( -1.412 -1.037 3.989) 4.357 3.029 ( 1.088 0.911 0.738) 1.599 3.054 ( 3.336 0.882 1.419) 3.731 3.159 ( -1.848 -2.480 -0.316) 3.109 3.236 ( -4.365 1.081 -2.354) 5.076 3.369 ( 1.957 1.731 0.157) 2.618 3.448 ( -2.685 -2.131 -2.515) 4.252 3.502 ( -0.530 0.940 -1.600) 1.930 3.649 ( 0.437 0.828 -5.143) 5.227 3.771 ( -0.771 0.095 5.748) 5.800 3.803 ( 3.006 0.232 5.541) 6.309 4.011 ( 2.105 3.423 -1.566) 4.313 4.109 ( 0.035 -0.647 -2.162) 2.257 4.230 ( 2.606 -0.115 -1.342) 2.934 4.347 ( -3.790 -1.556 -2.317) 4.707 4.604 ( 4.713 0.210 -1.651) 4.999 4.728 ( 0.627 -1.079 2.364) 2.673 4.911 ( -3.303 -0.216 -0.408) 3.335 5.158 ( -1.680 -1.334 0.467) 2.196 5.914 ( 1.030 -5.317 1.087) 5.524 6.035 ( 0.330 -3.699 -0.627) 3.766 6.396 ( -0.276 5.763 -0.937) 5.845 6.611 ( 0.523 1.590 1.852) 2.496 8.137 ( -2.081 1.576 -0.569) 2.672 8.414 ( 0.376 1.611 0.825) 1.849 8.517 ( -1.014 -0.308 -0.456) 1.154 8.596 ( -1.191 -0.761 -2.395) 2.781 8.732 ( 0.763 0.238 -0.009) 0.799 8.841 ( 0.890 -3.257 -0.526) 3.417 8.920 ( -0.444 2.997 -1.822) 3.536 9.041 ( -0.225 2.844 -1.813) 3.380 9.141 ( -0.475 -1.883 0.982) 2.176 9.455 ( -0.239 -2.540 -0.114) 2.553 9.543 ( -0.899 0.913 0.116) 1.286 9.605 ( -2.164 1.667 2.683) 3.829 9.762 ( 0.910 -0.593 3.809) 3.960 9.888 ( -0.480 -0.923 1.304) 1.668 10.006 ( -0.529 -1.053 -2.575) 2.832 10.217 ( 0.344 -2.389 -0.380) 2.443 10.551 ( -0.338 3.076 -0.178) 3.100 10.905 ( -0.764 0.086 -0.425) 0.878 11.007 ( 1.621 -0.187 1.825) 2.448 11.105 ( -0.296 -1.235 -1.012) 1.624 ======================= Grid point 165 (78/105) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.140 2.443 -1.819) 3.049 1.191 ( -0.284 -0.214 -0.319) 0.478 1.368 ( 3.675 -0.456 0.497) 3.736 1.409 ( -3.444 8.593 0.034) 9.258 1.554 ( 1.326 -0.362 -0.357) 1.420 1.647 ( -0.967 1.900 4.932) 5.373 1.768 ( 1.139 -4.148 -4.413) 6.162 1.905 ( 0.076 -1.631 0.798) 1.817 2.020 ( 3.667 0.996 2.648) 4.632 2.121 ( -0.082 1.197 3.390) 3.596 2.287 ( -1.279 0.382 0.803) 1.558 2.358 ( -1.052 -4.701 -1.636) 5.088 2.404 ( 2.709 2.654 4.000) 5.512 2.499 ( -1.763 0.785 -1.862) 2.682 2.567 ( -2.738 -2.221 -1.553) 3.852 2.697 ( 1.555 5.790 0.981) 6.075 2.789 ( 4.645 5.072 -5.224) 8.636 2.923 ( -2.998 -4.620 2.028) 5.869 3.036 ( -1.588 0.887 -1.897) 2.628 3.064 ( -1.652 -0.262 3.602) 3.971 3.131 ( -0.726 -0.892 -1.300) 1.736 3.178 ( 0.248 0.881 1.554) 1.804 3.358 ( -1.961 -1.566 -1.053) 2.721 3.398 ( -1.094 -2.086 -0.891) 2.519 3.504 ( -0.192 4.155 2.532) 4.869 3.583 ( -4.058 0.256 -1.099) 4.212 3.803 ( 1.549 -0.658 3.831) 4.184 3.888 ( 1.848 -0.402 1.984) 2.740 4.046 ( 0.946 0.661 -0.884) 1.454 4.113 ( 0.778 2.906 0.024) 3.008 4.221 ( -1.058 0.456 -3.080) 3.288 4.321 ( 1.415 -2.446 -3.473) 4.477 4.647 ( -0.172 0.215 -0.474) 0.548 4.772 ( 2.937 -1.384 -0.580) 3.298 4.854 ( -1.190 0.389 -0.232) 1.273 5.141 ( -0.108 -1.465 0.208) 1.483 5.925 ( 0.038 -5.436 0.429) 5.453 6.038 ( 0.004 -3.696 -0.269) 3.706 6.390 ( -0.028 6.055 -0.596) 6.085 6.629 ( 0.573 1.607 1.029) 1.992 8.111 ( -0.297 1.846 -0.231) 1.884 8.421 ( 0.016 2.257 0.615) 2.339 8.504 ( -0.022 -0.780 0.118) 0.790 8.565 ( -0.976 -1.296 -1.731) 2.372 8.737 ( 0.129 0.852 -0.691) 1.105 8.852 ( -0.330 0.223 -0.849) 0.937 8.931 ( 1.493 -1.354 1.312) 2.404 9.020 ( -1.117 3.402 -2.386) 4.302 9.139 ( 0.292 -2.513 -0.102) 2.532 9.435 ( -0.734 -0.622 -0.410) 1.046 9.532 ( -0.803 1.621 0.764) 1.963 9.607 ( 1.213 0.771 2.471) 2.859 9.801 ( 1.271 0.683 2.987) 3.317 9.884 ( -0.206 -0.827 -0.294) 0.902 9.987 ( -0.557 -2.423 -1.186) 2.755 10.212 ( -0.607 -2.995 -0.115) 3.058 10.547 ( 0.012 2.847 -0.126) 2.850 10.895 ( -0.077 0.383 -0.274) 0.477 11.041 ( 0.993 -0.581 1.759) 2.102 11.089 ( -0.786 -0.952 -1.366) 1.841 ======================= Grid point 166 (79/105) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -4.514 5.830 -1.018) 7.444 1.162 ( -2.383 0.233 1.090) 2.631 1.328 ( -3.075 2.138 0.678) 3.806 1.401 ( -6.455 3.725 -1.337) 7.572 1.514 ( 1.412 0.594 -0.933) 1.793 1.706 ( 2.319 1.053 3.827) 4.597 1.777 ( 1.553 0.062 -3.374) 3.714 1.908 ( -0.602 -1.612 -0.039) 1.721 2.061 ( 0.430 -1.719 -4.742) 5.062 2.139 ( -0.834 1.987 3.098) 3.774 2.251 ( -3.120 0.163 -2.479) 3.988 2.324 ( 0.294 -2.830 3.271) 4.336 2.373 ( -7.196 0.415 -2.074) 7.500 2.481 ( 1.563 1.076 3.407) 3.900 2.551 ( -0.480 0.026 1.605) 1.675 2.667 ( -1.462 4.654 -1.109) 5.003 2.774 ( -0.024 0.288 -3.524) 3.536 2.987 ( -0.840 0.764 3.074) 3.277 3.002 ( 0.193 0.214 4.205) 4.214 3.063 ( -3.059 -0.933 -0.773) 3.290 3.129 ( 6.097 -0.975 1.564) 6.369 3.196 ( -0.281 -0.409 1.637) 1.710 3.331 ( -2.276 -1.545 2.829) 3.946 3.405 ( 2.428 -0.917 0.736) 2.698 3.463 ( -3.745 2.835 0.672) 4.745 3.553 ( -0.024 1.117 2.888) 3.097 3.843 ( 0.661 -0.516 1.238) 1.495 3.892 ( -0.255 -0.398 -2.292) 2.340 4.015 ( -2.535 1.538 -2.800) 4.079 4.103 ( -0.496 1.316 -1.591) 2.124 4.240 ( 1.768 0.406 -1.340) 2.255 4.324 ( 0.505 -2.262 -0.856) 2.471 4.615 ( -1.775 0.056 -2.410) 2.994 4.788 ( 0.312 -1.198 -2.766) 3.030 4.895 ( 3.405 0.035 1.008) 3.552 5.159 ( 1.838 -1.285 0.415) 2.280 5.926 ( -0.123 -5.622 0.222) 5.627 6.027 ( -1.040 -3.680 -0.111) 3.826 6.390 ( 0.223 6.108 -0.345) 6.122 6.638 ( 0.164 1.304 -0.398) 1.373 8.125 ( 1.657 1.697 0.369) 2.400 8.422 ( -0.151 2.046 0.291) 2.073 8.509 ( -0.110 -0.999 -0.301) 1.049 8.560 ( 1.393 -0.564 1.145) 1.889 8.732 ( -0.403 0.019 -0.398) 0.566 8.825 ( -1.871 1.505 0.089) 2.403 8.951 ( -0.599 -2.154 -3.049) 3.781 8.995 ( 0.344 3.446 1.775) 3.892 9.158 ( 1.747 -2.260 -0.665) 2.933 9.435 ( 0.451 -1.378 1.037) 1.783 9.529 ( 0.154 1.769 1.273) 2.185 9.653 ( 2.715 0.842 -0.319) 2.860 9.825 ( 0.237 1.883 -0.072) 1.899 9.880 ( 0.233 -1.668 -0.215) 1.698 9.974 ( -0.621 -2.247 0.567) 2.399 10.198 ( -0.942 -2.801 1.028) 3.128 10.550 ( 0.346 2.925 -0.114) 2.948 10.900 ( 0.652 0.497 0.003) 0.820 11.044 ( -1.234 -0.702 -1.039) 1.760 11.079 ( 0.387 -0.983 0.883) 1.377 ======================= Grid point 167 (80/105) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -4.512 9.497 4.019) 11.256 1.097 ( -7.935 3.691 4.131) 9.677 1.188 ( -6.845 2.158 -2.269) 7.527 1.330 ( -0.540 2.315 3.605) 4.319 1.544 ( 0.443 -1.463 -1.171) 1.926 1.684 ( -4.147 0.314 -3.155) 5.220 1.806 ( -7.927 2.610 -3.856) 9.193 1.834 ( 2.257 2.122 3.164) 4.428 1.990 ( -5.315 2.485 -4.519) 7.406 2.116 ( -0.201 1.936 2.753) 3.371 2.201 ( 0.346 -1.815 -3.460) 3.922 2.273 ( -1.135 -1.890 -1.166) 2.494 2.398 ( 2.196 -2.936 0.948) 3.787 2.527 ( 2.658 1.011 1.031) 3.025 2.547 ( 0.597 1.789 4.093) 4.507 2.686 ( 1.219 2.611 1.109) 3.088 2.778 ( 0.934 -4.219 1.586) 4.603 2.933 ( -3.909 -0.726 1.334) 4.194 2.977 ( -3.838 -1.219 2.554) 4.768 3.059 ( 1.393 2.015 3.367) 4.164 3.155 ( -3.635 0.067 2.640) 4.493 3.223 ( 0.555 1.850 -1.435) 2.406 3.353 ( 0.887 0.155 1.622) 1.855 3.370 ( -1.263 -0.186 2.362) 2.685 3.476 ( 1.000 -0.456 1.070) 1.534 3.579 ( 2.598 1.690 0.931) 3.237 3.812 ( -2.101 -0.834 -1.610) 2.775 3.909 ( 2.570 0.990 -5.948) 6.555 3.970 ( -0.678 3.293 0.074) 3.363 4.098 ( 0.073 -1.573 -0.546) 1.667 4.202 ( -3.805 -0.431 -3.109) 4.932 4.368 ( 2.661 -1.348 2.876) 4.144 4.576 ( -0.578 -0.553 -4.191) 4.267 4.769 ( -1.193 -2.286 -3.598) 4.427 4.956 ( 2.500 0.862 1.178) 2.895 5.206 ( 2.238 -1.137 0.479) 2.556 5.911 ( -1.466 -5.700 -1.286) 6.024 6.008 ( -0.838 -3.778 1.238) 4.063 6.397 ( 0.638 5.935 -0.101) 5.970 6.631 ( -0.442 0.879 -1.434) 1.739 8.173 ( 2.735 1.014 0.856) 3.040 8.414 ( -0.601 1.018 -0.436) 1.260 8.505 ( -0.038 1.133 1.288) 1.716 8.606 ( 1.469 -0.519 0.636) 1.683 8.715 ( -1.565 -0.928 -0.482) 1.882 8.802 ( 0.118 -0.883 2.845) 2.981 8.930 ( 0.802 2.704 -1.566) 3.227 9.025 ( 1.213 0.759 1.335) 1.957 9.192 ( 2.130 -1.655 -1.950) 3.328 9.444 ( -0.484 -3.547 0.886) 3.688 9.546 ( 0.819 1.623 1.378) 2.281 9.697 ( 2.095 0.901 -2.780) 3.595 9.817 ( 0.150 -0.552 -2.582) 2.645 9.898 ( 1.122 -0.674 1.662) 2.116 9.976 ( 0.491 -0.409 2.147) 2.240 10.182 ( -1.405 -1.589 1.522) 2.611 10.560 ( 0.711 3.343 -0.112) 3.420 10.920 ( 1.251 0.266 0.251) 1.303 11.004 ( -1.898 -0.240 -1.911) 2.704 11.092 ( 0.232 -1.560 0.982) 1.858 ======================= Grid point 168 (81/105) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.386 10.820 7.331) 13.286 0.929 ( -6.518 7.309 10.950) 14.690 1.141 ( 0.492 1.979 1.503) 2.533 1.339 ( -1.398 -0.817 5.228) 5.473 1.501 ( -3.705 -1.030 0.367) 3.863 1.573 ( -4.024 2.714 -7.196) 8.679 1.682 ( -2.009 1.492 -1.936) 3.164 1.841 ( -3.096 3.107 1.077) 4.516 1.906 ( -2.105 7.171 2.172) 7.782 2.084 ( -2.618 -0.178 -0.910) 2.777 2.223 ( -1.219 -1.038 -3.035) 3.431 2.276 ( 3.440 -0.787 -1.841) 3.980 2.382 ( -1.608 -0.448 -4.635) 4.926 2.579 ( 1.584 -1.548 1.796) 2.851 2.632 ( 5.005 0.556 3.643) 6.215 2.703 ( 0.012 -1.119 2.958) 3.163 2.809 ( -0.095 -3.872 1.714) 4.236 2.855 ( -3.597 -1.823 3.564) 5.382 2.937 ( -0.647 -0.022 1.201) 1.365 3.092 ( 0.168 1.739 3.099) 3.557 3.109 ( -1.515 0.044 3.338) 3.666 3.196 ( -2.156 3.975 -0.943) 4.620 3.299 ( -2.310 -1.672 0.661) 2.927 3.431 ( 3.535 0.844 -2.709) 4.533 3.502 ( 1.813 1.000 0.547) 2.141 3.643 ( 2.527 1.573 0.795) 3.081 3.777 ( -0.786 -0.443 -2.424) 2.586 3.894 ( -0.767 2.502 -4.882) 5.539 3.997 ( 0.715 1.057 0.441) 1.349 4.082 ( -1.181 -1.225 0.151) 1.708 4.122 ( -1.619 -0.026 -2.568) 3.035 4.428 ( 2.113 -1.747 1.804) 3.282 4.558 ( 0.252 -1.565 -3.386) 3.739 4.713 ( -2.449 -3.079 -3.615) 5.343 5.011 ( 2.604 1.985 1.494) 3.599 5.227 ( -0.634 -1.006 0.482) 1.282 5.863 ( -2.203 -5.512 -1.871) 6.224 6.007 ( -0.055 -3.846 1.805) 4.249 6.414 ( 1.068 5.545 0.136) 5.649 6.608 ( -1.171 0.803 -1.488) 2.057 8.228 ( 2.288 0.001 0.910) 2.462 8.403 ( -0.163 1.416 -0.629) 1.558 8.519 ( 0.520 2.521 2.448) 3.552 8.605 ( -1.006 0.384 -0.407) 1.152 8.667 ( -2.288 -1.874 -0.549) 3.008 8.852 ( 2.146 -2.500 2.709) 4.265 8.981 ( 3.611 2.682 0.316) 4.510 9.048 ( 1.196 0.409 0.685) 1.438 9.223 ( 2.065 -2.333 -2.645) 4.087 9.410 ( -2.862 -3.307 -1.510) 4.627 9.572 ( 1.064 0.367 2.164) 2.439 9.706 ( 0.307 -0.736 -2.744) 2.858 9.817 ( 0.508 -3.403 -1.991) 3.976 9.934 ( 1.614 -0.553 1.462) 2.247 10.015 ( 2.311 1.855 2.946) 4.179 10.155 ( -1.883 0.633 0.711) 2.110 10.576 ( 0.926 3.838 -0.170) 3.952 10.932 ( -0.843 -0.390 -0.507) 1.058 10.976 ( 0.532 0.368 -0.965) 1.162 11.091 ( -0.669 -1.858 0.157) 1.981 ======================= Grid point 169 (82/105) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -1.100 6.999 4.847) 8.584 1.113 ( 0.521 8.550 1.753) 8.744 1.255 ( -0.474 2.612 5.567) 6.167 1.349 ( 5.583 3.386 2.547) 7.008 1.446 ( -2.195 1.269 -0.878) 2.683 1.521 ( -3.904 2.671 -5.958) 7.607 1.737 ( 2.209 5.555 -2.336) 6.419 1.859 ( -1.808 3.618 1.767) 4.413 2.054 ( -0.988 1.874 -2.576) 3.335 2.081 ( -1.269 4.236 3.070) 5.383 2.179 ( 0.201 0.062 -1.525) 1.539 2.249 ( -3.482 -2.453 1.564) 4.538 2.360 ( 2.951 -1.822 -1.664) 3.846 2.555 ( 0.718 -4.160 1.112) 4.365 2.655 ( -1.074 -3.977 0.759) 4.188 2.676 ( -2.659 -1.013 4.633) 5.437 2.713 ( 3.138 -2.525 1.690) 4.368 2.832 ( 0.995 0.584 -0.941) 1.489 2.971 ( 0.770 -0.458 1.268) 1.552 3.073 ( -1.951 -0.125 2.973) 3.558 3.136 ( 0.261 2.026 5.724) 6.078 3.233 ( -0.800 1.748 0.148) 1.928 3.280 ( 0.260 4.720 -1.440) 4.941 3.477 ( 4.213 -1.974 -8.053) 9.300 3.614 ( 1.681 2.075 2.258) 3.497 3.708 ( 0.874 2.107 0.638) 2.369 3.757 ( -2.369 1.982 -3.080) 4.362 3.884 ( -1.595 2.243 -1.474) 3.122 4.027 ( -0.615 2.074 2.302) 3.159 4.055 ( 0.469 -3.122 0.278) 3.169 4.111 ( 1.348 0.784 -3.946) 4.243 4.406 ( 0.490 -4.038 3.065) 5.093 4.513 ( 0.922 -1.458 -5.027) 5.315 4.596 ( -1.040 -2.996 -2.143) 3.828 5.100 ( 0.208 2.069 1.193) 2.397 5.182 ( -1.489 -0.917 1.598) 2.369 5.715 ( -0.549 -5.008 -0.794) 5.100 5.918 ( 0.493 -6.081 0.888) 6.165 6.535 ( 0.299 4.732 -0.131) 4.743 6.609 ( -0.499 1.411 -0.498) 1.578 8.265 ( 0.420 1.224 0.455) 1.371 8.443 ( 0.048 1.513 -0.259) 1.535 8.558 ( -0.766 -0.252 0.265) 0.849 8.601 ( -0.234 0.965 0.369) 1.059 8.650 ( 0.822 2.452 -0.311) 2.604 8.857 ( 1.583 -1.670 3.294) 4.018 9.040 ( 0.287 -0.325 -0.437) 0.615 9.074 ( 0.195 0.164 -0.156) 0.298 9.201 ( 0.614 -0.655 -1.319) 1.595 9.280 ( -1.904 -3.461 -1.158) 4.116 9.563 ( 0.199 -2.928 1.328) 3.222 9.669 ( -0.653 -0.466 -0.707) 1.070 9.708 ( -1.147 -4.582 -3.285) 5.754 9.907 ( -0.151 -3.318 1.356) 3.588 10.132 ( 1.710 2.373 2.123) 3.614 10.166 ( -0.671 2.170 -0.748) 2.392 10.673 ( 0.070 4.357 0.179) 4.361 10.906 ( 0.022 -0.641 -0.420) 0.767 10.979 ( -0.714 -0.171 -0.434) 0.853 11.048 ( 0.374 -1.632 0.063) 1.676 ======================= Grid point 170 (83/105) ======================= q-point: ( 0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.369 5.472 3.178) 6.339 1.152 ( 2.242 4.772 0.350) 5.284 1.232 ( -1.531 3.017 0.717) 3.458 1.386 ( 0.383 0.887 0.641) 1.159 1.474 ( -0.157 2.402 -0.526) 2.464 1.550 ( 6.602 5.440 2.203) 8.834 1.724 ( 0.094 3.130 -3.126) 4.425 1.871 ( 0.129 4.593 2.928) 5.448 2.007 ( -1.612 0.394 0.022) 1.660 2.072 ( 1.279 1.716 1.277) 2.492 2.165 ( -0.732 -0.726 -0.320) 1.080 2.271 ( 1.301 1.965 2.541) 3.466 2.373 ( -0.291 -2.055 -2.152) 2.989 2.547 ( -0.817 -3.617 0.552) 3.749 2.626 ( -1.529 -3.227 -0.329) 3.586 2.682 ( 1.320 -3.006 3.340) 4.683 2.794 ( 2.408 -1.028 0.000) 2.618 2.855 ( 1.889 -1.089 -0.248) 2.195 2.966 ( 0.409 1.421 -0.832) 1.696 3.081 ( 1.035 2.530 4.578) 5.332 3.144 ( -1.857 1.431 3.517) 4.226 3.253 ( 1.952 1.678 0.671) 2.660 3.312 ( 3.442 2.879 -1.291) 4.669 3.513 ( 3.136 -0.931 -7.705) 8.370 3.590 ( -3.707 1.698 -1.575) 4.371 3.681 ( -2.625 2.227 -2.208) 4.090 3.747 ( 0.668 0.325 2.011) 2.144 3.855 ( -1.312 2.595 0.926) 3.051 4.040 ( 0.929 0.852 1.181) 1.727 4.059 ( 0.346 -1.136 -1.046) 1.583 4.129 ( 1.990 0.043 -3.102) 3.685 4.420 ( -0.069 -3.464 1.928) 3.965 4.506 ( 0.636 -1.044 -5.741) 5.870 4.608 ( 2.319 -2.580 0.686) 3.536 5.056 ( -4.008 1.693 0.913) 4.445 5.180 ( -0.551 -1.275 2.416) 2.787 5.725 ( 1.550 -4.710 0.518) 4.986 5.930 ( 0.524 -6.067 -0.308) 6.097 6.531 ( -0.458 4.826 -0.592) 4.884 6.611 ( 0.528 1.541 0.565) 1.725 8.258 ( -1.169 1.578 -0.355) 1.996 8.437 ( -0.418 1.622 -0.146) 1.681 8.540 ( -0.644 -0.601 0.572) 1.050 8.610 ( 0.280 -0.544 1.378) 1.507 8.671 ( 1.406 2.951 -1.472) 3.585 8.868 ( -1.135 -1.355 -1.238) 2.158 9.030 ( -0.262 0.600 -0.361) 0.747 9.083 ( 0.452 -0.303 -0.849) 1.008 9.162 ( -2.582 0.633 -0.912) 2.811 9.296 ( 2.276 -3.576 1.937) 4.661 9.569 ( -0.127 -2.976 0.685) 3.056 9.657 ( -1.132 -1.797 0.860) 2.292 9.683 ( -0.077 -2.980 -0.272) 2.994 9.901 ( -1.010 -2.739 1.123) 3.128 10.116 ( -2.528 2.387 -1.289) 3.708 10.173 ( 0.720 1.203 0.342) 1.443 10.663 ( -1.025 4.405 0.040) 4.523 10.910 ( 0.235 -1.062 -0.231) 1.112 10.966 ( -0.243 0.432 0.609) 0.785 11.060 ( 0.816 -1.769 -0.294) 1.970 ======================= Grid point 171 (84/105) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.979 3.205 0.165) 3.355 1.175 ( 0.243 1.624 -0.699) 1.785 1.250 ( 3.593 2.450 -0.470) 4.374 1.413 ( -0.516 0.276 0.254) 0.638 1.479 ( 2.228 1.627 2.499) 3.722 1.622 ( 0.927 2.254 2.110) 3.224 1.747 ( 1.681 1.472 3.179) 3.885 1.904 ( 2.010 2.408 2.615) 4.083 2.007 ( 0.062 5.398 -2.560) 5.975 2.106 ( -0.907 0.758 1.837) 2.184 2.165 ( 3.717 -0.401 0.317) 3.752 2.291 ( 2.042 0.351 -0.713) 2.191 2.368 ( 0.019 -0.958 -0.668) 1.168 2.543 ( -0.169 -2.022 -0.910) 2.223 2.603 ( -0.498 -0.819 0.346) 1.019 2.688 ( -2.106 -4.818 1.857) 5.577 2.808 ( 1.204 1.330 -3.109) 3.590 2.918 ( 3.066 -0.325 3.350) 4.552 2.997 ( 2.736 1.259 -2.325) 3.805 3.101 ( -3.189 0.891 1.667) 3.707 3.128 ( 0.614 1.042 4.033) 4.210 3.300 ( 1.758 2.498 0.471) 3.091 3.362 ( 1.410 -0.395 -1.802) 2.322 3.498 ( -2.672 3.207 -4.045) 5.813 3.544 ( 0.464 -0.068 -2.194) 2.244 3.630 ( -0.000 -0.046 -3.260) 3.261 3.753 ( -0.583 0.414 3.984) 4.048 3.844 ( -0.481 3.223 0.820) 3.360 4.040 ( -0.527 -0.773 -1.731) 1.968 4.085 ( 2.206 0.386 -0.161) 2.246 4.169 ( 3.164 0.319 -1.887) 3.698 4.393 ( -2.976 -3.096 -0.970) 4.403 4.530 ( 3.932 0.845 -2.737) 4.865 4.662 ( 2.137 -2.318 1.813) 3.637 4.981 ( -3.873 0.999 0.683) 4.058 5.161 ( -2.211 -1.939 1.570) 3.334 5.769 ( 2.211 -4.694 1.200) 5.326 5.935 ( 0.326 -5.875 -0.968) 5.964 6.520 ( -0.242 5.294 -0.604) 5.334 6.627 ( 0.704 1.730 1.312) 2.283 8.222 ( -2.071 2.255 -0.587) 3.117 8.432 ( 0.106 1.161 0.037) 1.167 8.533 ( -0.511 -0.706 -0.402) 0.960 8.611 ( -0.920 -1.034 1.189) 1.825 8.696 ( 1.595 1.636 0.251) 2.299 8.820 ( -1.872 -0.929 -4.206) 4.696 9.010 ( -1.131 1.345 -2.084) 2.726 9.089 ( 0.045 0.304 -1.566) 1.596 9.134 ( -0.196 1.937 1.504) 2.460 9.351 ( 2.148 -4.095 2.125) 5.089 9.561 ( -0.637 -1.931 -0.185) 2.042 9.641 ( -1.205 -2.195 3.041) 3.939 9.699 ( 1.036 -0.503 2.243) 2.522 9.881 ( -1.434 -1.609 1.430) 2.586 10.056 ( -2.485 1.767 -2.599) 4.006 10.177 ( -0.254 -1.048 -0.774) 1.327 10.641 ( -1.105 4.182 -0.096) 4.326 10.905 ( -0.631 -1.640 -0.006) 1.757 10.980 ( 1.128 0.923 0.967) 1.749 11.073 ( 0.535 -1.845 -0.443) 1.972 ======================= Grid point 172 (85/105) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.333 2.276 -1.212) 2.903 1.178 ( 0.607 0.020 -1.048) 1.211 1.322 ( 1.800 0.384 0.885) 2.042 1.412 ( 3.063 -1.381 0.361) 3.379 1.557 ( 4.044 -1.030 0.024) 4.173 1.620 ( -2.434 -0.046 4.250) 4.898 1.798 ( 0.710 2.427 0.332) 2.550 1.934 ( -1.020 4.882 1.084) 5.104 1.963 ( 0.210 1.638 2.731) 3.191 2.115 ( 0.610 -1.830 -0.077) 1.930 2.277 ( 4.527 1.662 -1.396) 5.021 2.335 ( 1.467 1.541 0.727) 2.248 2.382 ( 3.223 0.678 1.636) 3.677 2.521 ( -0.811 0.311 -2.437) 2.587 2.585 ( -2.492 -3.168 -1.131) 4.187 2.679 ( 1.746 1.631 4.090) 4.736 2.832 ( 2.355 1.657 -2.825) 4.034 2.960 ( -1.263 -0.300 2.800) 3.087 3.034 ( 0.260 1.841 -1.994) 2.727 3.058 ( 0.618 -2.199 2.350) 3.277 3.127 ( -1.913 0.066 0.648) 2.021 3.263 ( -4.062 1.205 -2.055) 4.709 3.356 ( -0.199 -1.921 -2.482) 3.145 3.427 ( -4.444 -0.443 -2.877) 5.312 3.552 ( 1.969 3.462 -0.552) 4.021 3.642 ( 0.642 -1.066 -2.379) 2.685 3.787 ( 0.226 2.316 3.791) 4.448 3.842 ( 1.106 2.126 3.758) 4.457 4.029 ( 0.536 -0.837 -1.853) 2.103 4.131 ( 2.602 1.907 -0.194) 3.231 4.223 ( 2.790 -0.269 -1.752) 3.306 4.320 ( -3.449 -0.804 -1.850) 3.995 4.610 ( 4.520 0.311 -1.974) 4.942 4.698 ( 0.967 -1.866 1.791) 2.761 4.912 ( -3.292 0.528 -0.073) 3.335 5.121 ( -2.001 -2.377 0.538) 3.153 5.806 ( 0.990 -4.869 0.685) 5.016 5.939 ( 0.439 -5.615 -0.649) 5.670 6.517 ( 0.070 5.867 -0.379) 5.880 6.648 ( 0.743 1.897 1.497) 2.528 8.182 ( -1.594 2.915 -0.433) 3.351 8.442 ( 0.729 0.555 0.460) 1.025 8.513 ( -1.121 -0.234 -0.920) 1.469 8.587 ( -1.605 0.365 0.112) 1.650 8.720 ( 0.459 -3.082 -0.604) 3.174 8.795 ( 1.063 0.878 -0.747) 1.568 8.977 ( -1.280 2.088 -2.856) 3.762 9.079 ( 0.150 0.857 -1.210) 1.491 9.140 ( -0.352 2.032 0.367) 2.094 9.388 ( 0.962 -4.279 0.361) 4.401 9.558 ( 0.306 0.157 1.528) 1.566 9.626 ( -1.582 0.182 2.295) 2.794 9.741 ( 1.742 -0.565 4.068) 4.461 9.869 ( -0.425 -1.168 2.197) 2.524 10.000 ( -1.891 0.606 -3.751) 4.244 10.160 ( -0.805 -3.085 -1.517) 3.531 10.622 ( -0.700 3.825 -0.115) 3.890 10.893 ( -0.500 -1.513 -0.063) 1.594 11.009 ( 1.145 0.385 1.269) 1.752 11.076 ( 0.030 -1.498 -0.715) 1.661 ======================= Grid point 173 (86/105) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.373 1.703 -1.254) 2.148 1.184 ( 0.127 -0.412 -1.127) 1.207 1.339 ( 0.680 -1.207 -0.204) 1.400 1.498 ( 2.586 -3.339 -0.178) 4.227 1.557 ( -3.873 -0.414 2.966) 4.896 1.644 ( 5.154 -1.109 -3.827) 6.515 1.772 ( -1.080 6.295 0.776) 6.434 1.926 ( -0.572 1.778 0.373) 1.905 2.015 ( 1.625 -0.875 4.811) 5.153 2.124 ( 0.886 -0.201 -1.261) 1.554 2.293 ( 0.126 0.833 -3.855) 3.946 2.343 ( -1.451 2.440 2.734) 3.941 2.454 ( 0.875 2.015 2.200) 3.109 2.500 ( -1.964 -1.023 -1.413) 2.627 2.547 ( 0.759 0.660 0.020) 1.006 2.790 ( 5.846 1.387 4.798) 7.689 2.828 ( -4.460 -1.075 0.866) 4.669 2.909 ( 0.066 4.191 -4.344) 6.036 3.017 ( -2.397 -0.913 -1.082) 2.784 3.065 ( 0.171 -1.651 1.169) 2.030 3.117 ( 0.185 0.398 0.568) 0.718 3.205 ( -1.658 0.719 3.198) 3.673 3.312 ( -2.751 -1.613 -3.574) 4.790 3.362 ( -0.238 -1.381 -0.891) 1.660 3.572 ( -0.475 1.167 0.890) 1.543 3.611 ( -2.873 3.332 -0.106) 4.401 3.800 ( 1.039 0.696 3.953) 4.146 3.892 ( 1.336 0.239 -0.109) 1.361 4.033 ( -0.627 -0.590 0.618) 1.060 4.184 ( 2.098 1.865 1.010) 2.983 4.231 ( -1.106 0.877 -2.731) 3.074 4.275 ( 0.404 -0.995 -2.842) 3.038 4.652 ( -0.097 0.220 -0.795) 0.831 4.737 ( 2.811 -1.957 -1.413) 3.705 4.866 ( -0.602 0.988 -0.103) 1.161 5.100 ( -0.091 -2.618 0.232) 2.630 5.815 ( -0.022 -4.942 0.241) 4.948 5.943 ( 0.017 -5.512 -0.299) 5.520 6.518 ( 0.072 6.220 -0.267) 6.226 6.665 ( 0.403 1.808 0.880) 2.051 8.163 ( -0.150 3.346 -0.168) 3.354 8.460 ( 0.554 0.459 0.941) 1.185 8.488 ( -0.800 -0.620 -0.928) 1.373 8.562 ( -0.656 2.094 0.031) 2.194 8.716 ( -0.109 -4.285 -1.664) 4.598 8.839 ( 2.366 -0.535 2.266) 3.319 8.929 ( -2.318 1.976 -3.200) 4.418 9.094 ( 1.361 2.275 0.242) 2.662 9.118 ( -1.355 1.396 -1.298) 2.339 9.395 ( -0.245 -3.682 0.126) 3.692 9.577 ( 0.160 2.552 1.293) 2.866 9.615 ( 0.564 0.176 1.312) 1.439 9.794 ( 1.750 -1.091 4.645) 5.082 9.877 ( 0.090 -0.425 0.686) 0.812 9.954 ( -1.069 -0.273 -3.209) 3.393 10.138 ( -0.700 -4.101 -1.121) 4.309 10.614 ( -0.127 3.594 0.021) 3.597 10.888 ( 0.065 -1.419 -0.134) 1.427 11.031 ( 0.502 -0.292 1.239) 1.368 11.068 ( -0.413 -0.924 -0.864) 1.331 ======================= Grid point 174 (87/105) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.283 2.934 -1.681) 3.394 1.166 ( -1.582 0.392 -0.080) 1.632 1.326 ( -2.788 -0.964 -0.007) 2.950 1.474 ( -1.017 -1.733 -4.190) 4.647 1.508 ( -3.405 1.258 2.548) 4.435 1.732 ( 3.271 -0.863 -4.894) 5.949 1.791 ( 2.606 2.963 2.100) 4.470 1.923 ( 0.287 3.166 1.065) 3.353 2.028 ( -1.043 -1.174 0.436) 1.630 2.143 ( 1.806 -1.454 -3.479) 4.181 2.268 ( -1.628 1.688 -2.735) 3.603 2.309 ( -3.410 1.301 3.381) 4.975 2.416 ( -4.426 2.880 -0.635) 5.319 2.483 ( -0.285 -0.076 1.417) 1.447 2.564 ( 1.501 1.641 0.395) 2.259 2.724 ( -2.784 0.486 0.748) 2.924 2.810 ( -3.662 1.708 -1.398) 4.276 2.950 ( -0.640 -1.172 3.830) 4.056 3.030 ( 0.238 -0.160 0.152) 0.324 3.043 ( -1.845 -0.560 3.916) 4.365 3.121 ( 4.484 -0.170 -1.289) 4.668 3.201 ( -2.186 1.079 4.746) 5.336 3.289 ( 1.298 -1.873 0.602) 2.357 3.387 ( 2.591 -0.702 0.591) 2.749 3.520 ( -3.944 2.763 1.876) 5.168 3.590 ( -0.220 2.582 1.749) 3.126 3.841 ( 0.760 0.404 0.816) 1.186 3.899 ( 0.939 0.759 -1.942) 2.287 4.006 ( -1.304 -1.436 -0.942) 2.157 4.152 ( -2.842 2.327 -1.743) 4.065 4.246 ( -1.040 -0.601 -2.442) 2.722 4.276 ( 2.091 -1.410 1.354) 2.862 4.620 ( -1.890 0.448 -2.618) 3.260 4.755 ( -0.052 -2.003 -2.956) 3.571 4.904 ( 3.549 1.026 0.644) 3.750 5.123 ( 2.193 -2.338 0.399) 3.230 5.813 ( -0.363 -5.120 0.185) 5.136 5.932 ( -1.036 -5.510 -0.147) 5.608 6.517 ( 0.014 6.143 -0.302) 6.151 6.668 ( -0.290 1.524 -0.178) 1.562 8.175 ( 1.269 3.265 0.141) 3.506 8.450 ( -1.219 0.138 -0.181) 1.240 8.495 ( 1.064 -0.533 0.333) 1.236 8.573 ( 1.600 2.704 1.598) 3.525 8.705 ( -0.456 -3.733 -0.747) 3.834 8.845 ( -2.897 -1.121 -3.556) 4.722 8.910 ( 1.890 1.647 2.847) 3.794 9.076 ( -1.459 2.993 -0.803) 3.425 9.139 ( 2.320 0.734 0.133) 2.437 9.382 ( -1.033 -3.857 0.494) 4.024 9.573 ( -0.414 1.824 0.058) 1.872 9.656 ( 2.553 -0.087 0.114) 2.557 9.835 ( 0.097 -1.738 0.367) 1.779 9.864 ( -0.268 0.522 -0.871) 1.051 9.947 ( 1.028 0.185 0.506) 1.161 10.131 ( 0.229 -3.593 0.565) 3.644 10.618 ( 0.501 3.634 0.231) 3.675 10.894 ( 0.659 -1.406 -0.205) 1.566 11.031 ( -0.875 -0.487 -0.194) 1.020 11.060 ( -0.132 -0.782 0.244) 0.830 ======================= Grid point 175 (88/105) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -2.254 5.355 0.210) 5.814 1.145 ( -0.461 1.692 1.354) 2.215 1.247 ( -4.612 1.682 0.049) 4.909 1.397 ( -4.745 3.621 0.574) 5.996 1.514 ( 2.155 0.098 0.053) 2.158 1.687 ( -3.611 -0.345 -5.200) 6.340 1.834 ( -2.442 0.378 -1.291) 2.788 1.926 ( -0.358 5.260 1.908) 5.607 2.024 ( 1.386 1.762 -3.669) 4.300 2.164 ( 1.197 -0.056 -1.737) 2.110 2.183 ( -2.965 0.246 -2.973) 4.206 2.258 ( -1.882 0.958 0.826) 2.268 2.357 ( -1.242 -0.040 0.643) 1.399 2.515 ( 2.290 -0.863 1.774) 3.022 2.593 ( 0.242 1.434 1.246) 1.915 2.699 ( -1.923 -1.774 1.570) 3.051 2.753 ( -0.633 1.683 1.109) 2.113 2.916 ( -4.768 -0.510 2.712) 5.508 2.941 ( -3.018 -1.992 2.497) 4.395 3.083 ( -0.893 -0.095 6.206) 6.271 3.155 ( -1.618 0.924 3.179) 3.685 3.237 ( 3.584 -0.535 0.544) 3.665 3.337 ( 2.000 -0.994 -1.130) 2.503 3.410 ( -1.424 2.512 3.912) 4.862 3.486 ( 0.288 2.295 1.161) 2.588 3.611 ( 2.456 1.614 -0.282) 2.953 3.821 ( -1.065 1.317 -2.202) 2.778 3.929 ( 2.515 1.200 -4.302) 5.126 4.003 ( 0.956 -1.168 0.457) 1.577 4.089 ( -3.119 1.502 -0.369) 3.481 4.185 ( -3.044 -1.243 -2.839) 4.344 4.328 ( 1.739 -2.594 3.050) 4.365 4.570 ( -1.503 0.182 -4.107) 4.377 4.719 ( -2.211 -2.534 -3.255) 4.680 4.980 ( 3.714 1.586 0.816) 4.120 5.175 ( 2.492 -1.906 0.413) 3.164 5.795 ( -1.529 -5.316 -0.892) 5.603 5.910 ( -1.006 -5.638 0.993) 5.812 6.517 ( 0.223 5.689 -0.288) 5.700 6.654 ( -0.844 1.242 -0.912) 1.757 8.208 ( 1.797 2.536 0.546) 3.156 8.432 ( -0.362 0.687 -0.055) 0.778 8.517 ( 1.030 -0.392 0.649) 1.279 8.622 ( 1.819 2.248 1.204) 3.133 8.698 ( -0.591 -1.898 0.604) 2.078 8.771 ( -2.215 -0.878 -1.160) 2.650 8.960 ( 1.879 1.172 2.024) 3.000 9.061 ( 0.163 1.826 0.621) 1.936 9.176 ( 1.506 0.317 -1.684) 2.281 9.363 ( -1.139 -4.424 0.565) 4.603 9.564 ( -0.457 -0.135 -0.405) 0.626 9.695 ( 1.372 -1.051 -1.506) 2.292 9.794 ( -1.667 -1.038 -5.469) 5.811 9.879 ( 0.562 -1.451 1.930) 2.479 9.995 ( 2.922 2.112 2.625) 4.460 10.149 ( 0.887 -1.640 1.418) 2.342 10.635 ( 1.054 3.904 0.371) 4.061 10.908 ( 0.755 -1.616 -0.315) 1.811 11.006 ( -1.071 0.411 -1.118) 1.602 11.058 ( -0.414 -1.567 0.738) 1.781 ======================= Grid point 176 (89/105) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.568 6.309 4.342) 7.680 1.133 ( -2.557 7.946 1.744) 8.527 1.193 ( 0.999 3.296 1.771) 3.873 1.332 ( -2.762 1.448 3.411) 4.622 1.508 ( -3.207 2.180 -0.916) 3.984 1.651 ( 1.001 4.645 -5.528) 7.290 1.699 ( -6.018 0.929 -1.001) 6.171 1.907 ( -2.234 2.869 1.202) 3.830 2.052 ( 2.569 5.453 -3.779) 7.114 2.097 ( -3.175 1.366 0.509) 3.494 2.205 ( -0.581 -1.891 -3.301) 3.848 2.275 ( 4.002 -0.230 0.706) 4.071 2.335 ( -2.039 -1.875 -0.134) 2.773 2.546 ( -0.472 -2.212 0.037) 2.263 2.602 ( 2.466 -2.864 1.777) 4.176 2.685 ( -1.340 -1.918 6.111) 6.544 2.751 ( -2.183 -0.500 0.666) 2.336 2.836 ( -2.341 0.301 1.099) 2.604 2.933 ( 0.934 -0.973 2.032) 2.439 3.086 ( -1.001 -1.041 5.606) 5.789 3.136 ( -2.525 2.335 6.087) 6.991 3.267 ( -1.452 -0.824 0.856) 1.877 3.302 ( -1.301 5.379 -4.101) 6.888 3.433 ( 2.208 -1.065 -2.675) 3.629 3.536 ( 4.022 2.574 2.576) 5.426 3.672 ( 3.050 1.182 -0.513) 3.311 3.800 ( -0.730 2.687 -1.912) 3.378 3.930 ( -0.820 0.864 -5.500) 5.628 4.024 ( 0.512 0.351 1.741) 1.849 4.050 ( -0.811 -0.761 1.498) 1.866 4.123 ( -1.401 0.015 -3.292) 3.578 4.371 ( 1.460 -3.964 3.122) 5.253 4.531 ( -0.658 -0.750 -4.232) 4.348 4.651 ( -2.888 -2.855 -3.427) 5.313 5.053 ( 3.216 2.111 1.213) 4.034 5.203 ( -0.143 -1.352 0.522) 1.456 5.749 ( -2.183 -5.227 -1.624) 5.893 5.907 ( -0.019 -5.932 1.694) 6.169 6.525 ( 0.609 5.087 -0.107) 5.125 6.630 ( -1.110 1.240 -1.015) 1.949 8.243 ( 1.403 1.571 0.840) 2.268 8.436 ( 0.579 1.387 -0.041) 1.503 8.543 ( 1.425 -0.227 0.335) 1.481 8.634 ( -1.356 1.513 0.237) 2.045 8.652 ( -1.886 1.384 -0.702) 2.442 8.798 ( 2.548 -2.268 3.847) 5.142 9.004 ( 1.930 0.289 1.975) 2.776 9.078 ( 0.593 1.104 0.026) 1.253 9.185 ( 0.907 -0.763 -2.621) 2.877 9.334 ( -2.102 -4.049 -0.907) 4.652 9.556 ( -0.138 -1.757 0.611) 1.866 9.692 ( -0.657 -0.970 -2.204) 2.496 9.745 ( -1.002 -2.955 -4.715) 5.654 9.897 ( 0.473 -2.663 1.626) 3.156 10.069 ( 3.211 2.951 2.865) 5.218 10.169 ( 0.529 0.592 0.591) 0.990 10.659 ( 1.123 4.191 0.324) 4.351 10.913 ( -0.219 -1.514 -0.373) 1.574 10.989 ( -0.098 0.758 -1.432) 1.624 11.050 ( -0.637 -1.990 0.658) 2.190 ======================= Grid point 177 (90/105) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -0.815 2.828 1.365) 3.244 1.190 ( 0.473 0.735 -2.034) 2.214 1.349 ( 2.292 3.774 3.222) 5.466 1.410 ( 2.820 0.820 1.965) 3.533 1.527 ( -3.605 8.944 -0.504) 9.657 1.638 ( -1.947 8.340 -2.633) 8.959 1.843 ( 3.494 1.684 2.455) 4.591 1.912 ( -2.220 2.463 -1.960) 3.852 2.039 ( -5.260 -3.304 4.603) 7.731 2.104 ( -0.346 1.019 -1.531) 1.871 2.161 ( 1.669 -4.066 -2.171) 4.902 2.229 ( 0.671 0.907 -2.891) 3.103 2.308 ( 0.078 -1.594 1.534) 2.214 2.457 ( 0.020 -4.790 -0.370) 4.804 2.573 ( -0.767 -2.952 4.538) 5.467 2.637 ( -2.188 -3.805 -0.228) 4.395 2.708 ( 1.074 1.764 2.008) 2.881 2.830 ( 0.228 -2.654 0.484) 2.707 2.977 ( 2.266 2.661 -0.706) 3.566 3.077 ( 0.329 -0.161 2.133) 2.164 3.215 ( -1.303 5.574 4.909) 7.541 3.275 ( 0.431 3.327 1.293) 3.596 3.362 ( 1.572 -0.289 -0.391) 1.646 3.447 ( 1.743 -0.047 -3.776) 4.159 3.620 ( 0.066 0.512 0.722) 0.888 3.726 ( 0.405 -0.207 2.172) 2.219 3.839 ( -2.170 4.837 -3.823) 6.536 3.933 ( -0.171 2.648 0.022) 2.653 3.983 ( 1.359 -3.662 -1.698) 4.259 4.051 ( -1.254 -0.517 0.492) 1.443 4.135 ( 1.343 2.129 -1.136) 2.762 4.304 ( 1.138 -5.541 1.938) 5.980 4.504 ( 0.221 0.289 -3.902) 3.919 4.549 ( -0.748 -1.869 -2.551) 3.250 5.133 ( -0.069 1.161 1.192) 1.666 5.165 ( -1.355 -0.785 1.251) 2.004 5.651 ( -0.187 -0.935 -0.555) 1.103 5.790 ( 0.409 -6.421 0.520) 6.455 6.609 ( 0.144 2.616 -0.093) 2.621 6.634 ( -0.372 0.934 -0.359) 1.067 8.306 ( 0.381 2.751 0.495) 2.821 8.428 ( -0.039 -2.479 -0.401) 2.511 8.578 ( -0.165 1.618 0.006) 1.626 8.612 ( -0.669 0.018 0.179) 0.693 8.718 ( 0.865 4.367 0.783) 4.520 8.839 ( 1.738 -0.430 2.800) 3.324 9.012 ( 0.178 -1.663 0.868) 1.884 9.053 ( -0.626 -2.643 -1.469) 3.088 9.208 ( 1.196 0.641 0.605) 1.486 9.234 ( -1.450 -0.733 -1.026) 1.922 9.512 ( -0.334 -1.312 -0.717) 1.531 9.601 ( -0.820 -4.604 -3.323) 5.737 9.703 ( -0.882 2.156 -1.026) 2.545 9.833 ( -0.311 -3.896 0.632) 3.959 10.171 ( 0.918 1.526 1.429) 2.283 10.194 ( 0.123 0.603 0.065) 0.619 10.756 ( 0.123 3.876 0.509) 3.912 10.880 ( 0.235 -2.056 -0.118) 2.073 10.982 ( -0.692 0.470 -0.328) 0.899 11.018 ( 0.285 -1.281 -0.032) 1.312 ======================= Grid point 178 (91/105) ======================= q-point: ( 0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.934 2.844 1.147) 3.206 1.198 ( 0.709 0.121 -1.065) 1.285 1.333 ( -2.482 5.212 -2.794) 6.413 1.443 ( -1.338 3.129 -0.190) 3.408 1.502 ( 2.922 3.217 2.266) 4.902 1.683 ( 0.654 5.800 1.566) 6.043 1.782 ( -3.610 1.820 -0.554) 4.081 1.927 ( 1.855 -1.258 0.702) 2.349 1.987 ( -1.109 0.647 4.499) 4.679 2.104 ( 1.118 0.230 -0.114) 1.147 2.160 ( 0.491 1.405 -2.026) 2.514 2.289 ( 1.841 -0.434 -1.765) 2.587 2.328 ( 2.336 -1.681 1.591) 3.289 2.461 ( 1.068 -4.293 1.318) 4.616 2.550 ( -2.945 -2.990 -0.319) 4.209 2.612 ( 0.167 -3.828 4.130) 5.634 2.780 ( 3.620 -0.074 -0.251) 3.630 2.851 ( 2.278 -1.513 0.838) 2.860 2.994 ( 1.009 2.897 -2.455) 3.929 3.103 ( 0.039 -0.871 2.058) 2.235 3.207 ( -0.482 4.741 1.274) 4.933 3.299 ( 1.102 3.757 2.293) 4.537 3.393 ( 1.685 0.657 -2.428) 3.027 3.479 ( 3.029 -1.293 -3.296) 4.660 3.590 ( -2.853 0.707 0.795) 3.045 3.722 ( -1.979 -0.352 -1.223) 2.353 3.788 ( -1.802 4.697 1.121) 5.154 3.918 ( -0.658 3.612 -0.092) 3.673 3.995 ( -0.053 -4.186 -1.250) 4.369 4.046 ( 0.859 -1.317 0.195) 1.584 4.160 ( 2.170 2.900 -2.211) 4.243 4.329 ( 0.810 -5.037 -0.148) 5.104 4.507 ( 1.858 0.756 -3.316) 3.875 4.564 ( 2.406 -1.902 -0.161) 3.072 5.088 ( -3.941 1.587 1.321) 4.449 5.152 ( -1.462 -1.526 2.127) 2.999 5.666 ( 1.660 -0.804 0.068) 1.846 5.802 ( 0.787 -6.337 -0.360) 6.396 6.608 ( -0.115 2.784 -0.279) 2.800 6.637 ( 0.598 0.950 0.416) 1.198 8.303 ( -0.740 2.855 -0.289) 2.963 8.424 ( -0.228 -2.446 -0.078) 2.458 8.554 ( -1.602 1.518 0.071) 2.208 8.600 ( -0.942 -0.687 0.976) 1.521 8.746 ( 1.447 4.602 -0.620) 4.864 8.855 ( -0.497 -0.165 -1.600) 1.684 9.011 ( -0.293 -1.433 0.452) 1.531 9.060 ( 1.549 -2.740 -0.031) 3.148 9.197 ( -1.241 1.913 -0.783) 2.411 9.244 ( 1.402 -1.276 1.039) 2.162 9.511 ( 0.236 -1.955 0.479) 2.026 9.573 ( -0.922 -4.225 -0.640) 4.372 9.702 ( 0.669 2.345 0.851) 2.583 9.834 ( -0.045 -3.774 0.930) 3.887 10.156 ( -2.300 1.616 -0.708) 2.899 10.188 ( -0.836 0.189 -0.260) 0.896 10.747 ( -1.017 3.993 0.068) 4.121 10.877 ( -0.471 -2.294 -0.393) 2.375 10.980 ( 0.462 0.893 0.662) 1.204 11.027 ( 0.626 -1.515 -0.186) 1.649 ======================= Grid point 179 (92/105) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.225 2.726 0.132) 2.738 1.195 ( -0.773 -0.176 -0.512) 0.944 1.295 ( 0.545 2.958 -3.086) 4.309 1.424 ( -1.693 -0.545 -0.034) 1.779 1.539 ( -1.153 3.815 2.195) 4.550 1.628 ( -0.225 -0.522 -0.489) 0.749 1.797 ( 0.567 3.055 2.813) 4.191 1.951 ( 0.840 -0.690 1.784) 2.089 2.022 ( 0.234 -0.499 1.171) 1.294 2.134 ( 2.228 2.344 -1.440) 3.540 2.198 ( 4.301 1.769 1.254) 4.817 2.293 ( 0.990 1.939 -0.419) 2.217 2.369 ( 1.400 -1.807 -0.356) 2.313 2.491 ( -0.335 -1.173 0.651) 1.383 2.546 ( 3.179 -4.204 1.628) 5.516 2.622 ( -0.532 -2.425 2.696) 3.665 2.825 ( 2.119 1.145 -1.576) 2.878 2.924 ( 3.759 -1.095 0.706) 3.979 3.006 ( 0.025 1.377 0.928) 1.661 3.084 ( -1.424 -1.311 0.628) 2.035 3.196 ( -1.372 4.226 -0.924) 4.538 3.318 ( -0.918 0.333 1.210) 1.555 3.388 ( -0.559 0.845 -4.826) 4.931 3.488 ( -2.411 -3.192 -1.728) 4.358 3.581 ( 2.594 3.673 0.287) 4.506 3.652 ( -3.079 1.292 -2.098) 3.944 3.787 ( 0.958 3.126 3.456) 4.758 3.904 ( -1.560 2.048 0.901) 2.727 3.994 ( 1.191 -2.134 -1.581) 2.911 4.078 ( 2.352 -1.966 -0.481) 3.103 4.203 ( 3.024 2.878 -2.384) 4.807 4.330 ( -0.280 -3.203 -1.388) 3.502 4.550 ( 3.518 1.189 -1.963) 4.200 4.617 ( 2.475 -2.112 0.996) 3.403 5.012 ( -4.288 2.112 1.204) 4.929 5.117 ( -2.876 -2.516 1.560) 4.128 5.706 ( 2.005 -1.282 0.462) 2.425 5.815 ( 0.760 -5.769 -0.763) 5.868 6.608 ( 0.290 3.396 -0.067) 3.409 6.655 ( 0.876 0.830 0.895) 1.503 8.279 ( -1.429 3.406 -0.250) 3.702 8.420 ( -0.187 -2.470 0.420) 2.512 8.527 ( -1.009 0.434 -0.881) 1.408 8.582 ( -1.370 -1.849 1.162) 2.578 8.754 ( -0.626 3.984 -1.164) 4.197 8.827 ( -0.269 1.015 -3.690) 3.837 9.009 ( -0.074 -0.255 0.406) 0.485 9.093 ( 1.433 -1.143 -0.993) 2.084 9.178 ( -0.379 2.147 -0.065) 2.181 9.273 ( 1.069 -3.204 0.872) 3.488 9.523 ( 0.786 -1.322 0.867) 1.766 9.572 ( 0.421 -3.415 3.019) 4.577 9.730 ( 1.333 2.433 2.226) 3.557 9.837 ( -0.153 -2.619 1.349) 2.950 10.092 ( -3.295 1.761 -2.035) 4.255 10.155 ( -2.153 -1.239 -1.443) 2.873 10.723 ( -1.292 3.991 -0.309) 4.207 10.861 ( -0.838 -2.728 -0.331) 2.873 10.999 ( 0.953 0.914 0.861) 1.576 11.040 ( 0.683 -1.386 -0.048) 1.546 ======================= Grid point 180 (93/105) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.695 1.910 -0.929) 2.235 1.179 ( -0.260 -0.148 -0.912) 0.959 1.316 ( 1.706 -0.249 -1.308) 2.164 1.383 ( -0.765 -1.970 0.038) 2.114 1.535 ( 0.426 0.866 -0.782) 1.242 1.627 ( -1.546 -0.990 2.290) 2.935 1.829 ( 2.369 1.383 0.040) 2.743 1.951 ( -2.162 -4.048 -0.434) 4.609 2.026 ( 1.099 5.350 4.786) 7.262 2.144 ( 0.025 4.247 -3.554) 5.538 2.295 ( 3.379 -1.002 1.263) 3.744 2.346 ( 2.912 0.222 -1.225) 3.167 2.412 ( 3.943 1.354 1.912) 4.587 2.499 ( 0.326 -1.453 1.949) 2.452 2.559 ( -1.380 0.606 -0.717) 1.669 2.675 ( 3.863 -3.035 3.743) 6.176 2.860 ( 1.916 2.150 -1.848) 3.422 2.967 ( -2.144 1.743 4.410) 5.204 2.994 ( 0.760 -3.327 1.581) 3.762 3.083 ( 0.678 -0.002 -3.435) 3.502 3.147 ( -3.049 2.770 0.763) 4.189 3.259 ( -4.468 -1.562 -0.191) 4.737 3.348 ( -1.206 1.078 -3.818) 4.147 3.413 ( -3.362 -1.138 -4.665) 5.862 3.596 ( -0.860 1.109 -0.097) 1.407 3.644 ( 1.690 0.723 0.084) 1.840 3.842 ( 1.560 2.529 2.390) 3.813 3.866 ( -1.610 0.636 1.934) 2.596 4.029 ( 2.229 1.128 -0.175) 2.505 4.123 ( 2.246 -2.465 -0.924) 3.461 4.247 ( 2.096 2.366 -1.640) 3.561 4.313 ( -0.758 -0.341 -1.292) 1.536 4.617 ( 3.849 0.464 -1.861) 4.301 4.660 ( 1.605 -1.789 0.732) 2.512 4.938 ( -3.376 2.188 0.380) 4.041 5.065 ( -2.539 -3.211 0.588) 4.136 5.738 ( 0.959 -1.665 0.210) 1.933 5.827 ( 0.682 -5.245 -0.447) 5.308 6.617 ( 0.474 3.960 0.136) 3.991 6.676 ( 0.817 0.756 1.027) 1.514 8.253 ( -1.047 4.201 0.220) 4.335 8.423 ( 0.197 -2.605 0.958) 2.783 8.505 ( -0.863 -0.149 -1.464) 1.706 8.567 ( -0.365 -3.088 0.972) 3.258 8.713 ( -2.133 3.566 -2.493) 4.845 8.824 ( 0.663 0.553 -1.823) 2.017 9.007 ( -0.358 1.799 -0.183) 1.844 9.103 ( 0.604 0.707 -1.628) 1.875 9.177 ( -0.200 1.391 0.304) 1.437 9.289 ( 0.484 -4.999 -0.003) 5.022 9.557 ( 2.041 0.122 2.311) 3.086 9.604 ( 1.146 -1.830 3.055) 3.741 9.764 ( 0.796 2.314 3.031) 3.895 9.841 ( 0.025 -1.476 2.171) 2.626 10.021 ( -2.708 1.260 -3.203) 4.380 10.101 ( -2.258 -2.790 -2.323) 4.276 10.699 ( -0.902 3.863 -0.376) 3.985 10.845 ( -0.589 -3.097 -0.285) 3.165 11.020 ( 0.714 0.642 0.846) 1.279 11.051 ( 0.392 -1.022 -0.032) 1.095 ======================= Grid point 181 (94/105) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.495 1.816 -1.279) 2.276 1.179 ( 0.732 -0.119 -1.819) 1.964 1.323 ( 0.193 -0.317 -0.836) 0.915 1.414 ( 1.859 -4.440 -1.271) 4.979 1.525 ( -0.556 0.103 -0.876) 1.043 1.620 ( 1.391 -2.356 0.165) 2.741 1.867 ( -0.033 1.667 0.792) 1.846 1.914 ( 0.060 -2.047 -0.375) 2.082 2.057 ( -0.186 4.763 2.841) 5.549 2.143 ( 1.289 2.102 -3.148) 3.999 2.323 ( -0.402 0.880 1.325) 1.641 2.373 ( 0.232 -0.153 -1.534) 1.559 2.467 ( -0.750 0.306 -0.291) 0.861 2.502 ( 1.311 0.389 -0.832) 1.601 2.572 ( 1.340 2.203 3.885) 4.663 2.738 ( -0.371 -4.198 3.176) 5.277 2.862 ( -1.813 2.348 1.520) 3.333 2.954 ( 0.466 0.135 1.640) 1.710 3.018 ( 1.238 0.125 -0.179) 1.257 3.047 ( -2.066 1.036 -2.282) 3.248 3.128 ( 0.140 0.442 2.812) 2.850 3.177 ( -3.831 -2.449 2.258) 5.077 3.315 ( -0.562 0.876 -2.975) 3.152 3.349 ( -0.579 -0.167 -3.870) 3.917 3.588 ( -0.295 1.139 0.610) 1.325 3.655 ( -0.487 0.124 -0.585) 0.771 3.833 ( -0.555 2.450 3.654) 4.434 3.895 ( 1.475 0.246 -0.677) 1.641 4.041 ( -2.102 1.373 2.492) 3.538 4.152 ( 1.092 -3.175 -1.351) 3.619 4.268 ( 0.419 1.789 -0.330) 1.867 4.290 ( -1.052 1.304 -1.380) 2.171 4.657 ( 0.541 0.396 -1.505) 1.647 4.699 ( 2.641 -1.705 -2.294) 3.891 4.899 ( -0.211 2.412 0.079) 2.423 5.038 ( -0.101 -3.598 0.249) 3.608 5.746 ( -0.025 -1.664 0.011) 1.665 5.834 ( 0.044 -5.104 -0.217) 5.108 6.624 ( 0.136 4.252 0.057) 4.255 6.691 ( 0.252 0.610 0.633) 0.914 8.244 ( 0.053 4.827 0.317) 4.838 8.434 ( 0.315 -2.693 1.142) 2.942 8.482 ( -0.626 0.117 -1.299) 1.447 8.574 ( 0.344 -4.819 0.924) 4.919 8.671 ( -0.851 4.337 -1.970) 4.839 8.827 ( 0.263 -1.475 -1.067) 1.839 8.992 ( -0.969 4.085 0.008) 4.199 9.111 ( 0.521 0.237 -0.620) 0.844 9.167 ( -0.416 2.136 -0.461) 2.225 9.294 ( -0.074 -5.691 0.200) 5.695 9.612 ( 1.982 0.721 1.707) 2.713 9.624 ( 0.073 0.587 0.465) 0.753 9.789 ( 0.674 1.057 3.846) 4.045 9.858 ( 0.445 -1.209 2.000) 2.379 9.968 ( -1.028 1.143 -3.125) 3.483 10.059 ( -0.737 -3.631 -2.084) 4.250 10.687 ( -0.177 3.768 -0.149) 3.775 10.838 ( 0.018 -3.332 -0.245) 3.341 11.031 ( 0.097 0.299 0.706) 0.773 11.054 ( -0.053 -0.615 -0.091) 0.624 ======================= Grid point 182 (95/105) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.856 2.006 -1.845) 2.857 1.182 ( 0.202 0.838 -1.434) 1.673 1.311 ( -1.899 -0.059 -0.994) 2.144 1.412 ( 0.651 -3.601 -2.041) 4.190 1.528 ( 0.404 1.686 -0.322) 1.763 1.678 ( 3.509 -3.949 -1.717) 5.555 1.841 ( -1.040 1.697 -0.327) 2.017 1.946 ( 1.611 -2.890 0.269) 3.320 2.061 ( 0.294 5.074 1.653) 5.345 2.139 ( -0.301 1.416 -3.812) 4.078 2.308 ( -2.329 0.331 1.052) 2.577 2.334 ( -2.648 2.099 -1.356) 3.641 2.428 ( -3.052 -0.376 -0.712) 3.157 2.529 ( 0.666 2.565 -0.036) 2.650 2.588 ( 0.460 0.653 -1.555) 1.748 2.696 ( -3.134 -3.400 2.381) 5.201 2.819 ( -2.896 1.530 1.646) 3.666 2.953 ( -3.688 -0.641 3.894) 5.402 3.005 ( -2.851 -1.006 1.719) 3.478 3.033 ( -1.156 -1.374 2.636) 3.190 3.128 ( 3.881 1.748 0.786) 4.328 3.210 ( 2.374 -0.657 4.469) 5.103 3.293 ( -0.413 1.915 -1.477) 2.454 3.370 ( 3.292 -1.185 -0.580) 3.546 3.579 ( -1.172 3.200 1.323) 3.656 3.639 ( -0.472 1.643 0.121) 1.714 3.854 ( 0.438 0.899 1.763) 2.027 3.910 ( 1.140 -0.125 -1.133) 1.612 3.993 ( -2.440 1.033 0.504) 2.698 4.142 ( -1.473 -3.444 -1.236) 3.944 4.240 ( -2.722 1.193 -0.717) 3.058 4.278 ( -0.434 0.238 1.015) 1.129 4.637 ( -1.352 1.305 -3.123) 3.644 4.713 ( -0.180 -2.162 -3.402) 4.035 4.938 ( 3.685 2.457 0.368) 4.444 5.067 ( 2.764 -3.207 0.409) 4.254 5.740 ( -0.643 -1.848 0.045) 1.957 5.823 ( -1.043 -5.064 -0.163) 5.173 6.621 ( -0.320 4.166 -0.208) 4.184 6.690 ( -0.535 0.460 -0.063) 0.708 8.255 ( 0.847 4.813 0.080) 4.887 8.434 ( -0.481 -1.857 0.069) 1.919 8.483 ( 0.851 -0.253 0.227) 0.916 8.579 ( 0.290 -5.549 0.177) 5.559 8.674 ( 1.322 4.733 0.390) 4.930 8.820 ( -0.820 -1.509 -1.138) 2.060 8.979 ( -0.432 4.220 1.578) 4.526 9.101 ( -1.052 -0.049 -0.886) 1.376 9.175 ( 1.117 1.912 0.171) 2.221 9.287 ( -0.734 -5.181 0.203) 5.236 9.597 ( -1.557 1.050 -1.388) 2.335 9.653 ( 1.074 -0.752 -0.891) 1.585 9.815 ( 0.197 0.163 1.386) 1.410 9.859 ( -0.683 -0.787 -0.200) 1.061 9.971 ( 2.180 1.704 0.181) 2.773 10.065 ( 1.767 -3.006 0.077) 3.488 10.692 ( 0.626 3.778 0.231) 3.836 10.844 ( 0.632 -3.396 -0.192) 3.460 11.028 ( -0.579 0.235 0.286) 0.687 11.048 ( -0.442 -0.499 -0.012) 0.666 ======================= Grid point 183 (96/105) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.444 3.059 -2.066) 3.718 1.184 ( 0.682 1.904 0.362) 2.055 1.260 ( -2.089 1.275 -0.159) 2.453 1.413 ( -1.353 -2.154 0.856) 2.684 1.566 ( 4.381 3.931 0.008) 5.886 1.676 ( -2.118 -0.940 -3.890) 4.528 1.850 ( 0.684 1.570 -1.348) 2.179 1.954 ( -0.545 -2.397 -0.302) 2.476 2.089 ( 0.424 3.796 0.588) 3.864 2.122 ( 1.695 -0.778 -3.375) 3.856 2.217 ( -5.254 1.156 -0.898) 5.454 2.295 ( -1.849 1.879 -0.559) 2.695 2.349 ( -3.837 -0.861 0.230) 3.939 2.528 ( 0.397 1.957 -1.765) 2.665 2.586 ( -1.720 -2.599 -2.374) 3.917 2.657 ( -1.117 -1.696 0.984) 2.256 2.789 ( -0.751 1.992 1.623) 2.677 2.881 ( -4.663 -2.858 4.503) 7.085 2.931 ( -4.113 0.709 5.503) 6.906 3.051 ( -0.596 -3.139 6.466) 7.212 3.207 ( 3.287 2.564 -1.850) 4.561 3.251 ( -0.328 3.750 5.077) 6.320 3.308 ( 1.764 -1.504 0.549) 2.383 3.433 ( 1.565 -0.971 2.489) 3.096 3.564 ( -0.364 5.042 1.439) 5.255 3.650 ( 2.066 1.968 -1.470) 3.210 3.849 ( 0.099 1.400 -1.267) 1.890 3.948 ( 1.781 -2.531 1.019) 3.259 3.965 ( 0.047 1.549 -3.206) 3.561 4.098 ( -2.106 -2.335 -1.326) 3.412 4.177 ( -3.101 1.426 -0.446) 3.442 4.272 ( -0.726 -2.770 2.482) 3.790 4.587 ( -1.993 1.515 -3.848) 4.591 4.671 ( -2.353 -2.281 -3.480) 4.780 5.021 ( 4.162 2.498 0.456) 4.875 5.131 ( 3.113 -2.518 0.356) 4.020 5.718 ( -1.615 -2.073 -0.480) 2.671 5.798 ( -1.273 -5.197 0.550) 5.379 6.612 ( -0.374 3.734 -0.359) 3.770 6.673 ( -0.983 0.423 -0.563) 1.210 8.273 ( 0.841 3.974 0.237) 4.068 8.428 ( -0.016 -1.727 -0.268) 1.748 8.505 ( 1.375 0.094 0.825) 1.606 8.601 ( 1.707 -4.242 -0.226) 4.578 8.712 ( 1.723 3.946 2.279) 4.871 8.783 ( -2.212 0.945 -0.195) 2.413 8.989 ( 0.414 1.852 1.892) 2.680 9.079 ( -0.735 -0.274 -0.024) 0.785 9.192 ( 0.397 0.841 -0.800) 1.227 9.274 ( -0.556 -4.099 0.382) 4.154 9.559 ( -1.353 0.377 -2.238) 2.642 9.651 ( -0.163 -3.128 -3.101) 4.408 9.795 ( -1.693 0.916 -3.031) 3.591 9.847 ( -0.498 -1.548 0.592) 1.731 10.040 ( 3.802 2.242 2.299) 4.977 10.117 ( 2.845 -1.583 1.477) 3.575 10.712 ( 1.211 3.840 0.560) 4.065 10.859 ( 0.842 -3.201 -0.122) 3.313 11.015 ( -0.669 0.444 -0.312) 0.861 11.036 ( -0.880 -0.733 0.139) 1.154 ======================= Grid point 184 (97/105) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.176 3.729 0.094) 3.735 1.199 ( -0.059 0.622 -1.298) 1.440 1.257 ( 2.589 3.988 2.894) 5.566 1.391 ( -1.147 1.261 3.476) 3.872 1.584 ( -2.501 4.981 -3.764) 6.726 1.707 ( 5.911 1.173 2.056) 6.368 1.781 ( -5.853 6.466 -3.336) 9.338 1.936 ( -0.619 0.292 0.345) 0.767 2.104 ( 1.165 0.060 -2.878) 3.106 2.119 ( -3.235 -0.674 0.473) 3.338 2.147 ( 0.478 -1.377 -3.916) 4.178 2.271 ( -2.315 -1.411 1.225) 2.975 2.299 ( -0.412 -0.914 1.534) 1.833 2.498 ( -4.011 -4.300 -1.874) 6.172 2.550 ( 1.715 0.387 -0.455) 1.816 2.647 ( -0.989 -1.434 1.715) 2.445 2.763 ( -3.995 -0.113 1.051) 4.133 2.829 ( -1.406 -2.233 3.387) 4.293 2.923 ( 1.463 2.016 3.203) 4.057 3.069 ( -0.311 -1.615 5.016) 5.279 3.222 ( -1.889 6.652 5.571) 8.880 3.265 ( 0.751 0.894 -0.218) 1.188 3.338 ( 1.310 -1.961 -0.574) 2.427 3.443 ( -0.428 0.697 0.694) 1.073 3.588 ( 1.926 3.558 1.247) 4.233 3.697 ( 2.611 1.194 -1.306) 3.155 3.867 ( 1.471 3.229 -1.514) 3.858 3.931 ( -0.899 -0.733 -2.466) 2.725 3.983 ( 0.240 -1.735 -0.341) 1.784 4.068 ( -0.305 -0.502 -1.246) 1.377 4.130 ( -1.161 1.565 -0.162) 1.956 4.278 ( 0.263 -4.970 2.843) 5.731 4.534 ( -1.534 0.962 -3.936) 4.332 4.602 ( -2.847 -2.098 -3.478) 4.960 5.094 ( 2.945 2.096 0.819) 3.707 5.173 ( 0.756 -1.674 0.390) 1.878 5.677 ( -1.904 -1.607 -0.910) 2.652 5.785 ( -0.411 -5.868 1.086) 5.982 6.607 ( 0.006 3.104 -0.227) 3.112 6.650 ( -0.957 0.616 -0.657) 1.314 8.290 ( 0.758 3.120 0.726) 3.291 8.429 ( 0.138 -2.377 -0.382) 2.411 8.548 ( 2.370 1.242 0.681) 2.761 8.623 ( 0.375 -1.684 -0.943) 1.966 8.720 ( -1.458 3.922 1.306) 4.383 8.785 ( 1.820 0.658 3.614) 4.100 9.002 ( 0.225 -0.206 1.237) 1.275 9.072 ( -0.397 -1.708 -0.325) 1.784 9.190 ( 0.345 0.854 -0.720) 1.169 9.263 ( -0.933 -2.762 -0.228) 2.924 9.529 ( -0.785 -0.332 -1.980) 2.156 9.629 ( -0.458 -4.289 -3.914) 5.824 9.742 ( -2.024 1.620 -2.942) 3.921 9.840 ( -0.533 -2.931 0.489) 3.019 10.121 ( 3.100 2.145 2.380) 4.458 10.172 ( 1.940 -0.334 1.057) 2.235 10.739 ( 1.163 3.852 0.680) 4.081 10.872 ( 0.540 -2.581 -0.002) 2.637 11.001 ( -0.632 0.399 -1.120) 1.347 11.020 ( -0.670 -0.982 0.518) 1.297 ======================= Grid point 185 (98/105) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.142 -0.905 -1.161) 1.478 1.188 ( -0.142 0.905 -1.161) 1.478 1.396 ( 1.887 -1.466 1.146) 2.650 1.396 ( 1.887 1.466 1.146) 2.650 1.716 ( 0.485 -7.228 0.217) 7.247 1.716 ( 0.485 7.228 0.217) 7.247 1.849 ( -3.680 -7.145 0.551) 8.056 1.849 ( -3.680 7.145 0.551) 8.056 2.080 ( -1.609 -4.214 0.473) 4.536 2.080 ( -1.609 4.214 0.473) 4.536 2.155 ( 2.373 -3.749 -0.619) 4.480 2.155 ( 2.373 3.749 -0.619) 4.480 2.367 ( 0.122 -4.514 -0.035) 4.516 2.367 ( 0.122 4.514 -0.035) 4.516 2.567 ( -2.401 -2.400 1.656) 3.777 2.567 ( -2.401 2.400 1.656) 3.777 2.758 ( 0.786 -3.451 0.711) 3.610 2.758 ( 0.786 3.451 0.711) 3.610 3.046 ( 1.486 -3.042 0.741) 3.466 3.046 ( 1.486 3.042 0.741) 3.466 3.305 ( 0.604 -3.663 0.059) 3.713 3.305 ( 0.604 3.663 0.059) 3.713 3.384 ( 0.741 -6.126 1.109) 6.270 3.384 ( 0.741 6.126 1.109) 6.270 3.684 ( -0.973 -4.044 2.488) 4.847 3.684 ( -0.973 4.044 2.488) 4.847 3.917 ( 0.604 -3.022 -3.726) 4.836 3.917 ( 0.604 3.022 -3.726) 4.836 4.001 ( -0.624 -3.769 -0.155) 3.823 4.001 ( -0.624 3.769 -0.155) 3.823 4.203 ( 1.287 -4.414 0.885) 4.682 4.203 ( 1.287 4.414 0.885) 4.682 4.519 ( -0.343 -1.143 -3.060) 3.285 4.519 ( -0.343 1.143 -3.060) 3.285 5.150 ( -0.758 -0.723 1.120) 1.533 5.150 ( -0.758 0.723 1.120) 1.533 5.682 ( 0.179 -3.865 -0.023) 3.870 5.682 ( 0.179 3.865 -0.023) 3.870 6.640 ( -0.122 -0.493 -0.193) 0.544 6.640 ( -0.122 0.493 -0.193) 0.544 8.368 ( 0.173 -3.286 0.130) 3.294 8.368 ( 0.173 3.286 0.130) 3.294 8.602 ( -0.305 -0.861 0.016) 0.913 8.602 ( -0.305 0.861 0.016) 0.913 8.806 ( 1.361 -3.518 2.101) 4.317 8.806 ( 1.361 3.518 2.101) 4.317 9.002 ( -0.618 -1.330 -0.564) 1.572 9.002 ( -0.618 1.330 -0.564) 1.572 9.223 ( 0.171 -0.775 0.331) 0.860 9.223 ( 0.171 0.775 0.331) 0.860 9.526 ( -0.649 -2.549 -2.774) 3.823 9.526 ( -0.649 2.549 -2.774) 3.823 9.759 ( -0.639 -3.388 -0.251) 3.456 9.759 ( -0.639 3.388 -0.251) 3.456 10.193 ( 0.515 -0.670 0.784) 1.153 10.193 ( 0.515 0.670 0.784) 1.153 10.827 ( 0.206 -3.189 0.293) 3.209 10.827 ( 0.206 3.189 0.293) 3.209 10.996 ( -0.196 -0.936 -0.149) 0.967 10.996 ( -0.196 0.936 -0.149) 0.967 ======================= Grid point 187 (99/105) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.100 -1.467 -0.533) 1.564 1.183 ( -0.100 1.467 -0.533) 1.564 1.415 ( -0.242 -3.413 -2.283) 4.113 1.415 ( -0.242 3.413 -2.283) 4.113 1.656 ( -4.495 -8.030 0.696) 9.229 1.656 ( -4.495 8.030 0.696) 9.229 1.847 ( 1.045 -5.140 3.385) 6.243 1.847 ( 1.045 5.140 3.385) 6.243 2.057 ( -0.021 -4.327 0.533) 4.360 2.057 ( -0.021 4.327 0.533) 4.360 2.223 ( 3.731 -4.324 -1.232) 5.842 2.223 ( 3.731 4.324 -1.232) 5.842 2.372 ( 0.527 -4.540 0.095) 4.571 2.372 ( 0.527 4.540 0.095) 4.571 2.546 ( -0.666 -2.276 3.291) 4.057 2.546 ( -0.666 2.276 3.291) 4.057 2.803 ( 3.365 -2.319 -0.193) 4.091 2.803 ( 3.365 2.319 -0.193) 4.091 3.061 ( -0.056 -3.039 -0.141) 3.042 3.061 ( -0.056 3.039 -0.141) 3.042 3.310 ( 0.171 -4.932 -2.085) 5.357 3.310 ( 0.171 4.932 -2.085) 5.357 3.410 ( 1.282 -4.916 0.620) 5.118 3.410 ( 1.282 4.916 0.620) 5.118 3.668 ( -1.601 -4.568 2.310) 5.363 3.668 ( -1.601 4.568 2.310) 5.363 3.896 ( -1.267 -5.478 -1.883) 5.929 3.896 ( -1.267 5.478 -1.883) 5.929 3.994 ( 0.304 -3.584 -0.277) 3.608 3.994 ( 0.304 3.584 -0.277) 3.608 4.234 ( 1.927 -4.341 -1.363) 4.941 4.234 ( 1.927 4.341 -1.363) 4.941 4.530 ( 2.231 -1.477 -1.407) 3.023 4.530 ( 2.231 1.477 -1.407) 3.023 5.120 ( -2.776 -1.648 1.751) 3.672 5.120 ( -2.776 1.648 1.751) 3.672 5.697 ( 1.275 -3.768 -0.258) 3.987 5.697 ( 1.275 3.768 -0.258) 3.987 6.641 ( 0.334 -0.660 0.103) 0.747 6.641 ( 0.334 0.660 0.103) 0.747 8.365 ( -0.438 -3.225 -0.141) 3.258 8.365 ( -0.438 3.225 -0.141) 3.258 8.581 ( -1.686 -1.161 0.333) 2.075 8.581 ( -1.686 1.161 0.333) 2.075 8.832 ( 0.682 -3.005 -1.096) 3.271 8.832 ( 0.682 3.005 -1.096) 3.271 9.004 ( 0.877 -1.460 0.867) 1.911 9.004 ( 0.877 1.460 0.867) 1.911 9.227 ( 0.069 -1.033 -0.187) 1.052 9.227 ( 0.069 1.033 -0.187) 1.052 9.510 ( -0.159 -1.816 -0.398) 1.865 9.510 ( -0.159 1.816 -0.398) 1.865 9.760 ( 0.508 -3.433 0.942) 3.596 9.760 ( 0.508 3.433 0.942) 3.596 10.181 ( -1.749 -0.885 -0.461) 2.014 10.181 ( -1.749 0.885 -0.461) 2.014 10.820 ( -0.811 -3.306 -0.191) 3.409 10.820 ( -0.811 3.306 -0.191) 3.409 11.001 ( 0.573 -1.157 0.277) 1.321 11.001 ( 0.573 1.157 0.277) 1.321 ======================= Grid point 189 (100/105) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.506 -1.639 -0.295) 1.741 1.175 ( -0.506 1.639 -0.295) 1.741 1.369 ( -2.344 -4.073 -2.584) 5.363 1.369 ( -2.344 4.073 -2.584) 5.363 1.608 ( -1.417 -2.337 1.150) 2.965 1.608 ( -1.417 2.337 1.150) 2.965 1.866 ( 0.074 -4.352 0.868) 4.439 1.866 ( 0.074 4.352 0.868) 4.439 2.095 ( 2.588 -4.633 2.098) 5.706 2.095 ( 2.588 4.633 2.098) 5.706 2.268 ( 2.010 -4.883 -1.677) 5.540 2.268 ( 2.010 4.883 -1.677) 5.540 2.405 ( 2.496 -6.125 1.748) 6.841 2.405 ( 2.496 6.125 1.748) 6.841 2.561 ( 0.744 -3.487 2.502) 4.355 2.561 ( 0.744 3.487 2.502) 4.355 2.871 ( 3.468 -3.162 -0.908) 4.780 2.871 ( 3.468 3.163 -0.908) 4.780 3.049 ( -1.206 -2.161 1.198) 2.749 3.049 ( -1.206 2.161 1.198) 2.749 3.285 ( -1.914 -4.050 -2.785) 5.274 3.285 ( -1.914 4.050 -2.785) 5.274 3.420 ( -0.708 -3.052 -1.029) 3.298 3.420 ( -0.708 3.052 -1.029) 3.298 3.646 ( -1.141 -2.054 0.513) 2.405 3.646 ( -1.141 2.054 0.513) 2.405 3.869 ( -0.910 -4.346 1.433) 4.666 3.869 ( -0.910 4.346 1.433) 4.666 4.019 ( 2.513 -3.402 -1.350) 4.439 4.019 ( 2.513 3.402 -1.350) 4.439 4.266 ( 2.061 -3.257 -2.090) 4.385 4.266 ( 2.061 3.257 -2.090) 4.385 4.579 ( 2.858 -1.699 -0.334) 3.342 4.579 ( 2.858 1.699 -0.334) 3.342 5.062 ( -3.739 -2.819 1.475) 4.910 5.062 ( -3.739 2.819 1.475) 4.910 5.724 ( 1.428 -3.001 -0.264) 3.334 5.724 ( 1.428 3.001 -0.264) 3.334 6.653 ( 0.730 -1.126 0.437) 1.411 6.653 ( 0.730 1.126 0.437) 1.411 8.353 ( -0.729 -3.834 0.327) 3.916 8.353 ( -0.729 3.834 0.327) 3.916 8.547 ( -1.683 -1.480 -0.431) 2.282 8.547 ( -1.683 1.480 -0.431) 2.282 8.823 ( -0.613 -2.060 -2.480) 3.281 8.823 ( -0.613 2.060 -2.480) 3.281 9.036 ( 1.605 -3.116 1.161) 3.693 9.036 ( 1.605 3.116 1.161) 3.693 9.223 ( -0.178 -2.300 -0.801) 2.443 9.223 ( -0.178 2.300 -0.801) 2.443 9.523 ( 1.215 -1.341 2.063) 2.744 9.523 ( 1.215 1.341 2.063) 2.744 9.782 ( 0.997 -2.777 1.874) 3.496 9.782 ( 0.997 2.777 1.874) 3.496 10.126 ( -3.200 -1.604 -1.725) 3.974 10.126 ( -3.200 1.604 -1.725) 3.974 10.798 ( -1.170 -3.537 -0.498) 3.759 10.798 ( -1.170 3.537 -0.498) 3.759 11.017 ( 0.829 -0.952 0.519) 1.365 11.017 ( 0.829 0.952 0.519) 1.365 ======================= Grid point 191 (101/105) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.051 -1.111 -0.789) 1.363 1.167 ( 0.051 1.111 -0.789) 1.363 1.335 ( -0.145 -2.165 -1.369) 2.566 1.335 ( -0.145 2.165 -1.369) 2.566 1.583 ( -1.562 -2.977 0.190) 3.367 1.583 ( -1.562 2.977 0.190) 3.367 1.872 ( 0.529 -3.145 -0.180) 3.194 1.872 ( 0.529 3.145 -0.180) 3.194 2.139 ( 0.961 -4.938 0.755) 5.087 2.139 ( 0.961 4.938 0.755) 5.087 2.311 ( 2.491 -3.072 0.267) 3.964 2.311 ( 2.491 3.072 0.267) 3.964 2.461 ( 2.023 -3.215 1.048) 3.940 2.461 ( 2.023 3.215 1.048) 3.940 2.597 ( 2.087 -3.552 2.475) 4.806 2.597 ( 2.087 3.552 2.475) 4.806 2.920 ( 1.631 -3.553 -0.494) 3.941 2.920 ( 1.631 3.553 -0.494) 3.941 3.033 ( -0.990 -3.690 2.380) 4.501 3.033 ( -0.990 3.690 2.380) 4.501 3.214 ( -4.048 -2.989 -1.183) 5.169 3.214 ( -4.048 2.989 -1.183) 5.169 3.380 ( -1.700 -1.909 -4.243) 4.954 3.380 ( -1.700 1.909 -4.243) 4.954 3.629 ( -0.763 -1.913 0.260) 2.076 3.629 ( -0.763 1.913 0.260) 2.076 3.873 ( 0.173 -0.515 2.082) 2.152 3.873 ( 0.173 0.515 2.082) 2.152 4.067 ( 2.411 -2.591 -0.640) 3.596 4.067 ( 2.411 2.591 -0.640) 3.596 4.292 ( 1.237 -1.831 -1.444) 2.640 4.292 ( 1.237 1.831 -1.444) 2.640 4.631 ( 2.674 -1.064 -0.720) 2.967 4.631 ( 2.674 1.064 -0.720) 2.967 4.996 ( -3.141 -3.447 0.565) 4.698 4.996 ( -3.141 3.447 0.565) 4.698 5.746 ( 0.892 -2.468 -0.157) 2.629 5.746 ( 0.892 2.468 -0.157) 2.629 6.671 ( 0.738 -1.448 0.584) 1.727 6.671 ( 0.738 1.448 0.584) 1.727 8.345 ( -0.345 -4.746 1.150) 4.896 8.345 ( -0.345 4.746 1.150) 4.896 8.517 ( -0.921 -1.496 -1.267) 2.165 8.517 ( -0.921 1.496 -1.267) 2.165 8.794 ( -1.179 -3.375 -2.119) 4.156 8.794 ( -1.179 3.375 -2.119) 4.156 9.067 ( 1.073 -3.665 0.585) 3.864 9.067 ( 1.073 3.665 0.585) 3.864 9.214 ( -0.343 -2.603 -0.832) 2.754 9.214 ( -0.343 2.603 -0.832) 2.754 9.571 ( 2.430 -1.297 2.804) 3.930 9.571 ( 2.430 1.297 2.804) 3.930 9.808 ( 0.609 -1.936 2.532) 3.245 9.808 ( 0.609 1.936 2.532) 3.245 10.052 ( -3.046 -2.017 -2.774) 4.587 10.052 ( -3.046 2.017 -2.774) 4.587 10.776 ( -0.836 -3.766 -0.514) 3.891 10.776 ( -0.836 3.766 -0.514) 3.891 11.033 ( 0.556 -0.750 0.516) 1.067 11.033 ( 0.556 0.750 0.516) 1.067 ======================= Grid point 193 (102/105) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.809 -0.907 -1.672) 2.067 1.171 ( 0.809 0.907 -1.672) 2.067 1.341 ( 0.866 -2.448 -1.548) 3.023 1.341 ( 0.866 2.448 -1.548) 3.023 1.564 ( 0.149 -2.944 -0.313) 2.964 1.564 ( 0.149 2.944 -0.313) 2.964 1.880 ( 0.195 -1.029 -0.061) 1.049 1.880 ( 0.195 1.029 -0.061) 1.049 2.148 ( 0.231 -2.862 -0.670) 2.948 2.148 ( 0.231 2.862 -0.670) 2.948 2.342 ( 0.068 -1.925 1.231) 2.286 2.342 ( 0.068 1.925 1.231) 2.286 2.490 ( 1.109 -1.384 -1.158) 2.118 2.490 ( 1.109 1.384 -1.158) 2.118 2.642 ( 0.232 -4.664 2.756) 5.422 2.642 ( 0.232 4.664 2.756) 5.422 2.921 ( -1.574 -2.977 2.108) 3.973 2.921 ( -1.574 2.977 2.108) 3.973 3.042 ( 0.859 -1.658 0.174) 1.875 3.042 ( 0.859 1.658 0.174) 1.875 3.142 ( -2.688 -1.131 2.113) 3.601 3.142 ( -2.688 1.131 2.113) 3.601 3.336 ( -0.516 -1.104 -4.036) 4.216 3.336 ( -0.516 1.104 -4.036) 4.216 3.624 ( 0.331 -2.311 -0.084) 2.336 3.624 ( 0.331 2.311 -0.084) 2.336 3.882 ( -0.132 -1.887 1.646) 2.507 3.882 ( -0.132 1.887 1.646) 2.507 4.087 ( -0.626 -3.055 0.648) 3.185 4.087 ( -0.626 3.055 0.648) 3.185 4.296 ( -0.510 -0.788 -0.599) 1.114 4.296 ( -0.510 0.788 -0.599) 1.114 4.671 ( 1.791 -1.071 -2.317) 3.118 4.671 ( 1.791 1.071 -2.317) 3.118 4.962 ( -0.111 -3.762 0.197) 3.769 4.962 ( -0.111 3.762 0.197) 3.769 5.755 ( 0.027 -2.462 -0.122) 2.465 5.755 ( 0.027 2.462 -0.122) 2.465 6.683 ( 0.174 -1.630 0.355) 1.677 6.683 ( 0.174 1.630 0.355) 1.677 8.350 ( 0.306 -5.404 1.131) 5.529 8.350 ( 0.306 5.404 1.131) 5.529 8.500 ( -0.360 -2.000 -1.163) 2.342 8.500 ( -0.360 2.000 -1.163) 2.342 8.769 ( -0.508 -4.335 -1.066) 4.493 8.769 ( -0.508 4.335 -1.066) 4.493 9.078 ( -0.213 -3.822 0.399) 3.849 9.078 ( -0.213 3.822 0.399) 3.849 9.207 ( 0.018 -2.601 -0.527) 2.654 9.207 ( 0.018 2.601 -0.527) 2.654 9.623 ( 1.479 -0.484 0.987) 1.842 9.623 ( 1.479 0.484 0.987) 1.842 9.827 ( 0.090 -2.051 3.063) 3.688 9.827 ( 0.090 2.051 3.063) 3.688 10.000 ( -0.735 -2.258 -2.797) 3.669 10.000 ( -0.735 2.258 -2.797) 3.669 10.764 ( -0.115 -3.922 -0.306) 3.935 10.764 ( -0.115 3.922 -0.306) 3.935 11.041 ( 0.024 -0.615 0.385) 0.726 11.041 ( 0.024 0.615 0.385) 0.726 ======================= Grid point 195 (103/105) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.976 -1.040 -1.969) 2.431 1.181 ( 0.976 1.040 -1.969) 2.431 1.341 ( -0.088 -3.036 -1.833) 3.548 1.341 ( -0.088 3.036 -1.833) 3.548 1.592 ( 2.543 -4.246 -0.409) 4.966 1.592 ( 2.543 4.246 -0.409) 4.966 1.880 ( 0.201 -2.738 -0.689) 2.831 1.880 ( 0.201 2.738 -0.689) 2.831 2.146 ( -0.192 -2.189 -0.556) 2.266 2.146 ( -0.192 2.189 -0.556) 2.266 2.321 ( -2.746 -1.969 0.106) 3.380 2.321 ( -2.746 1.969 0.106) 3.380 2.490 ( -0.539 -5.212 -2.042) 5.623 2.490 ( -0.539 5.212 -2.042) 5.623 2.627 ( -1.482 -2.991 0.819) 3.437 2.627 ( -1.482 2.991 0.819) 3.437 2.890 ( -2.738 -4.526 2.230) 5.740 2.890 ( -2.738 4.526 2.230) 5.740 3.007 ( -4.142 -0.878 3.921) 5.771 3.007 ( -4.142 0.878 3.921) 5.771 3.178 ( 3.964 -2.479 2.376) 5.244 3.178 ( 3.964 2.479 2.376) 5.244 3.336 ( 1.627 -2.161 -1.218) 2.966 3.336 ( 1.627 2.161 -1.218) 2.966 3.635 ( 0.698 -1.976 -0.342) 2.123 3.635 ( 0.698 1.976 -0.342) 2.123 3.884 ( -0.214 -1.954 1.328) 2.372 3.884 ( -0.214 1.954 1.328) 2.372 4.056 ( -2.138 -4.522 -0.023) 5.002 4.056 ( -2.138 4.522 -0.023) 5.002 4.268 ( -2.192 -1.195 0.277) 2.512 4.268 ( -2.192 1.195 0.277) 2.512 4.671 ( -0.583 -2.003 -3.525) 4.096 4.671 ( -0.583 2.003 -3.525) 4.096 4.999 ( 3.421 -3.445 0.361) 4.868 4.999 ( 3.421 3.445 0.361) 4.868 5.746 ( -0.923 -2.350 -0.106) 2.527 5.746 ( -0.923 2.350 -0.106) 2.527 6.679 ( -0.538 -1.641 -0.095) 1.729 6.679 ( -0.538 1.641 -0.095) 1.729 8.360 ( 0.262 -5.258 0.101) 5.266 8.360 ( 0.262 5.258 0.101) 5.266 8.498 ( 0.732 -2.037 -0.003) 2.164 8.498 ( 0.732 2.037 -0.003) 2.164 8.768 ( 0.402 -3.887 0.271) 3.917 8.768 ( 0.402 3.887 0.271) 3.917 9.064 ( -1.260 -3.769 0.511) 4.007 9.064 ( -1.260 3.769 0.511) 4.007 9.210 ( 0.363 -2.200 -0.249) 2.244 9.210 ( 0.363 2.200 -0.249) 2.244 9.625 ( -0.862 -1.689 -1.939) 2.712 9.625 ( -0.862 1.689 -1.939) 2.712 9.835 ( -0.422 -1.463 1.428) 2.087 9.835 ( -0.422 1.463 1.428) 2.087 10.012 ( 2.602 -2.368 -0.252) 3.527 10.012 ( 2.602 2.368 -0.252) 3.527 10.769 ( 0.656 -3.942 0.023) 3.997 10.769 ( 0.656 3.942 0.023) 3.997 11.038 ( -0.509 -0.580 0.177) 0.792 11.038 ( -0.509 0.580 0.177) 0.792 ======================= Grid point 197 (104/105) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.932 -0.909 -1.703) 2.143 1.192 ( 0.932 0.909 -1.703) 2.143 1.333 ( -0.073 -5.006 0.353) 5.019 1.333 ( -0.073 5.006 0.353) 5.019 1.638 ( 2.246 -2.933 -0.871) 3.796 1.638 ( 2.246 2.933 -0.871) 3.796 1.892 ( 1.537 -2.752 -1.559) 3.517 1.892 ( 1.537 2.752 -1.559) 3.517 2.134 ( -0.726 -0.973 -1.140) 1.665 2.134 ( -0.726 0.973 -1.140) 1.665 2.240 ( -4.881 -3.069 0.330) 5.775 2.240 ( -4.881 3.069 0.330) 5.775 2.449 ( -2.777 -7.297 -2.043) 8.071 2.449 ( -2.777 7.297 -2.043) 8.071 2.614 ( 0.179 -3.226 -1.732) 3.666 2.614 ( 0.179 3.226 -1.732) 3.666 2.830 ( -4.198 -2.139 2.971) 5.570 2.830 ( -4.198 2.139 2.971) 5.570 2.974 ( -1.325 -3.752 7.144) 8.177 2.974 ( -1.325 3.752 7.144) 8.177 3.253 ( 2.833 -2.381 -0.197) 3.706 3.253 ( 2.833 2.381 -0.197) 3.706 3.370 ( 0.587 -4.934 2.970) 5.789 3.370 ( 0.587 4.934 2.970) 5.789 3.651 ( 1.413 -2.563 -0.511) 2.971 3.651 ( 1.413 2.563 -0.511) 2.971 3.887 ( 0.206 -2.726 0.582) 2.795 3.887 ( 0.206 2.726 0.582) 2.795 4.025 ( -0.429 -3.865 -1.993) 4.370 4.025 ( -0.429 3.865 -1.993) 4.370 4.220 ( -2.704 -2.489 1.227) 3.874 4.220 ( -2.704 2.489 1.227) 3.874 4.626 ( -2.189 -2.213 -3.690) 4.827 4.626 ( -2.189 2.213 -3.690) 4.827 5.076 ( 3.833 -2.925 0.334) 4.833 5.076 ( 3.833 2.925 0.334) 4.833 5.720 ( -1.540 -2.272 0.011) 2.745 5.720 ( -1.540 2.272 0.011) 2.745 6.664 ( -0.825 -1.437 -0.411) 1.707 6.664 ( -0.825 1.437 -0.411) 1.707 8.360 ( -0.058 -4.457 -0.215) 4.463 8.360 ( -0.058 4.457 -0.215) 4.463 8.532 ( 2.406 -2.425 0.684) 3.484 8.532 ( 2.406 2.425 0.684) 3.484 8.778 ( 0.045 -1.912 1.395) 2.367 8.778 ( 0.045 1.912 1.395) 2.367 9.040 ( -1.249 -3.057 0.519) 3.342 9.040 ( -1.249 3.057 0.519) 3.342 9.216 ( 0.231 -1.868 -0.059) 1.883 9.216 ( 0.231 1.868 -0.059) 1.883 9.590 ( -1.215 -2.579 -3.484) 4.502 9.590 ( -1.215 2.579 -3.484) 4.502 9.818 ( -1.325 -1.357 -0.823) 2.068 9.818 ( -1.325 1.357 -0.823) 2.068 10.082 ( 3.766 -1.958 1.743) 4.588 10.082 ( 3.766 1.958 1.743) 4.588 10.788 ( 1.132 -3.763 0.337) 3.944 10.788 ( 1.132 3.763 0.337) 3.944 11.024 ( -0.819 -0.498 -0.078) 0.961 11.024 ( -0.819 0.498 -0.078) 0.961 ======================= Grid point 199 (105/105) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.114 -0.809 -1.660) 1.850 1.196 ( 0.114 0.809 -1.660) 1.850 1.352 ( 1.329 -4.355 2.801) 5.347 1.352 ( 1.329 4.355 2.801) 5.347 1.678 ( 2.365 -3.881 -0.615) 4.587 1.678 ( 2.365 3.881 -0.615) 4.587 1.905 ( -0.284 -4.695 -2.035) 5.125 1.905 ( -0.284 4.695 -2.035) 5.125 2.104 ( -1.402 -1.618 -1.585) 2.664 2.104 ( -1.402 1.618 -1.585) 2.664 2.167 ( -2.933 -3.640 1.880) 5.038 2.167 ( -2.933 3.640 1.880) 5.038 2.385 ( -2.180 -5.950 -1.293) 6.467 2.385 ( -2.180 5.950 -1.293) 6.467 2.604 ( -0.993 -3.343 -1.162) 3.676 2.604 ( -0.993 3.343 -1.162) 3.676 2.770 ( -2.792 -2.236 2.991) 4.663 2.770 ( -2.792 2.236 2.991) 4.663 3.004 ( 1.370 -4.534 4.354) 6.433 3.004 ( 1.370 4.534 4.354) 6.433 3.289 ( 1.285 -1.968 -0.707) 2.455 3.289 ( 1.285 1.968 -0.707) 2.455 3.376 ( -0.810 -6.446 3.488) 7.374 3.376 ( -0.810 6.446 3.488) 7.374 3.680 ( 0.873 -3.673 0.706) 3.841 3.680 ( 0.873 3.673 0.706) 3.841 3.903 ( 1.573 -1.256 -1.640) 2.597 3.903 ( 1.573 1.256 -1.640) 2.597 4.014 ( -0.139 -3.724 -1.993) 4.226 4.014 ( -0.139 3.724 -1.993) 4.226 4.189 ( -0.822 -3.844 1.806) 4.326 4.189 ( -0.822 3.844 1.806) 4.326 4.563 ( -2.360 -1.811 -3.623) 4.688 4.563 ( -2.360 1.811 -3.623) 4.688 5.136 ( 1.901 -2.044 0.464) 2.830 5.136 ( 1.901 2.044 0.464) 2.830 5.692 ( -1.164 -3.036 0.126) 3.254 5.692 ( -1.164 3.036 0.126) 3.254 6.648 ( -0.575 -1.002 -0.403) 1.223 6.648 ( -0.575 1.002 -0.403) 1.223 8.361 ( 0.243 -3.820 0.200) 3.833 8.361 ( 0.243 3.820 0.200) 3.833 8.583 ( 2.179 -2.063 0.179) 3.006 8.583 ( 2.179 2.063 0.179) 3.006 8.782 ( -0.090 -1.701 2.524) 3.045 8.782 ( -0.090 1.701 2.524) 3.045 9.021 ( -0.942 -2.417 -0.132) 2.598 9.021 ( -0.942 2.417 -0.132) 2.598 9.219 ( 0.131 -1.904 0.212) 1.920 9.219 ( 0.131 1.904 0.212) 1.920 9.554 ( -0.808 -2.784 -3.797) 4.777 9.554 ( -0.808 2.784 -3.797) 4.777 9.785 ( -1.484 -2.528 -1.160) 3.153 9.785 ( -1.484 2.528 -1.160) 3.153 10.155 ( 2.675 -1.339 1.714) 3.447 10.155 ( 2.675 1.339 1.714) 3.447 10.812 ( 1.018 -3.403 0.491) 3.586 10.812 ( 1.018 3.403 0.491) 3.586 11.007 ( -0.758 -0.372 -0.276) 0.888 11.007 ( -0.758 0.372 -0.276) 0.888 =================== 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 3/19200 10.0 46.518 48.181 28.641 0.000 8.228 0.000 3/19200 20.0 7.752 8.193 5.074 0.000 1.526 0.000 3/19200 30.0 3.563 3.719 2.404 0.000 0.686 0.000 3/19200 40.0 2.255 2.344 1.565 0.000 0.420 0.000 3/19200 50.0 1.649 1.714 1.171 0.000 0.297 0.000 3/19200 60.0 1.303 1.357 0.942 0.000 0.228 0.000 3/19200 70.0 1.080 1.128 0.791 0.000 0.186 0.000 3/19200 80.0 0.923 0.968 0.683 0.000 0.156 0.000 3/19200 90.0 0.807 0.849 0.602 0.000 0.135 0.000 3/19200 100.0 0.718 0.758 0.539 0.000 0.120 0.000 3/19200 110.0 0.646 0.685 0.488 0.000 0.107 0.000 3/19200 120.0 0.588 0.625 0.446 0.000 0.097 0.000 3/19200 130.0 0.540 0.575 0.411 0.000 0.089 0.000 3/19200 140.0 0.499 0.533 0.381 0.000 0.082 0.000 3/19200 150.0 0.464 0.497 0.355 0.000 0.077 0.000 3/19200 160.0 0.434 0.466 0.333 0.000 0.072 0.000 3/19200 170.0 0.407 0.438 0.313 0.000 0.067 0.000 3/19200 180.0 0.384 0.413 0.296 0.000 0.063 0.000 3/19200 190.0 0.363 0.392 0.280 0.000 0.060 0.000 3/19200 200.0 0.344 0.372 0.266 0.000 0.057 0.000 3/19200 210.0 0.328 0.354 0.254 0.000 0.054 0.000 3/19200 220.0 0.312 0.338 0.242 0.000 0.052 0.000 3/19200 230.0 0.299 0.324 0.232 0.000 0.049 0.000 3/19200 240.0 0.286 0.310 0.222 0.000 0.047 0.000 3/19200 250.0 0.274 0.298 0.213 0.000 0.045 0.000 3/19200 260.0 0.264 0.286 0.205 0.000 0.044 0.000 3/19200 270.0 0.254 0.276 0.197 0.000 0.042 0.000 3/19200 280.0 0.245 0.266 0.190 0.000 0.040 0.000 3/19200 290.0 0.236 0.257 0.184 0.000 0.039 0.000 3/19200 300.0 0.228 0.248 0.178 0.000 0.038 0.000 3/19200 310.0 0.221 0.240 0.172 0.000 0.037 0.000 3/19200 320.0 0.214 0.233 0.167 0.000 0.035 0.000 3/19200 330.0 0.207 0.226 0.162 0.000 0.034 0.000 3/19200 340.0 0.201 0.219 0.157 0.000 0.033 0.000 3/19200 350.0 0.195 0.213 0.153 0.000 0.032 0.000 3/19200 360.0 0.190 0.207 0.148 0.000 0.032 0.000 3/19200 370.0 0.185 0.202 0.144 0.000 0.031 0.000 3/19200 380.0 0.180 0.196 0.141 0.000 0.030 0.000 3/19200 390.0 0.175 0.191 0.137 0.000 0.029 0.000 3/19200 400.0 0.171 0.187 0.134 0.000 0.028 0.000 3/19200 410.0 0.166 0.182 0.130 0.000 0.028 0.000 3/19200 420.0 0.163 0.178 0.127 0.000 0.027 0.000 3/19200 430.0 0.159 0.174 0.124 0.000 0.026 0.000 3/19200 440.0 0.155 0.170 0.121 0.000 0.026 0.000 3/19200 450.0 0.152 0.166 0.119 0.000 0.025 0.000 3/19200 460.0 0.148 0.162 0.116 0.000 0.025 0.000 3/19200 470.0 0.145 0.159 0.114 0.000 0.024 0.000 3/19200 480.0 0.142 0.156 0.111 0.000 0.024 0.000 3/19200 490.0 0.139 0.152 0.109 0.000 0.023 0.000 3/19200 500.0 0.136 0.149 0.107 0.000 0.023 0.000 3/19200 510.0 0.134 0.146 0.105 0.000 0.022 0.000 3/19200 520.0 0.131 0.144 0.103 0.000 0.022 0.000 3/19200 530.0 0.129 0.141 0.101 0.000 0.021 0.000 3/19200 540.0 0.126 0.138 0.099 0.000 0.021 0.000 3/19200 550.0 0.124 0.136 0.097 0.000 0.021 0.000 3/19200 560.0 0.122 0.133 0.095 0.000 0.020 0.000 3/19200 570.0 0.120 0.131 0.094 0.000 0.020 0.000 3/19200 580.0 0.118 0.129 0.092 0.000 0.020 0.000 3/19200 590.0 0.116 0.127 0.091 0.000 0.019 0.000 3/19200 600.0 0.114 0.125 0.089 0.000 0.019 0.000 3/19200 610.0 0.112 0.123 0.088 0.000 0.019 0.000 3/19200 620.0 0.110 0.121 0.086 0.000 0.018 0.000 3/19200 630.0 0.108 0.119 0.085 0.000 0.018 0.000 3/19200 640.0 0.107 0.117 0.084 0.000 0.018 0.000 3/19200 650.0 0.105 0.115 0.082 0.000 0.017 0.000 3/19200 660.0 0.103 0.113 0.081 0.000 0.017 0.000 3/19200 670.0 0.102 0.112 0.080 0.000 0.017 0.000 3/19200 680.0 0.100 0.110 0.079 0.000 0.017 0.000 3/19200 690.0 0.099 0.108 0.078 0.000 0.016 0.000 3/19200 700.0 0.097 0.107 0.076 0.000 0.016 0.000 3/19200 710.0 0.096 0.105 0.075 0.000 0.016 0.000 3/19200 720.0 0.095 0.104 0.074 0.000 0.016 0.000 3/19200 730.0 0.093 0.102 0.073 0.000 0.016 0.000 3/19200 740.0 0.092 0.101 0.072 0.000 0.015 0.000 3/19200 750.0 0.091 0.100 0.071 0.000 0.015 0.000 3/19200 760.0 0.090 0.098 0.070 0.000 0.015 0.000 3/19200 770.0 0.089 0.097 0.070 0.000 0.015 0.000 3/19200 780.0 0.087 0.096 0.069 0.000 0.015 0.000 3/19200 790.0 0.086 0.095 0.068 0.000 0.014 0.000 3/19200 800.0 0.085 0.093 0.067 0.000 0.014 0.000 3/19200 810.0 0.084 0.092 0.066 0.000 0.014 0.000 3/19200 820.0 0.083 0.091 0.065 0.000 0.014 0.000 3/19200 830.0 0.082 0.090 0.064 0.000 0.014 0.000 3/19200 840.0 0.081 0.089 0.064 0.000 0.014 0.000 3/19200 850.0 0.080 0.088 0.063 0.000 0.013 0.000 3/19200 860.0 0.079 0.087 0.062 0.000 0.013 0.000 3/19200 870.0 0.078 0.086 0.062 0.000 0.013 0.000 3/19200 880.0 0.077 0.085 0.061 0.000 0.013 0.000 3/19200 890.0 0.077 0.084 0.060 0.000 0.013 0.000 3/19200 900.0 0.076 0.083 0.059 0.000 0.013 0.000 3/19200 910.0 0.075 0.082 0.059 0.000 0.012 0.000 3/19200 920.0 0.074 0.081 0.058 0.000 0.012 0.000 3/19200 930.0 0.073 0.080 0.058 0.000 0.012 0.000 3/19200 940.0 0.073 0.080 0.057 0.000 0.012 0.000 3/19200 950.0 0.072 0.079 0.056 0.000 0.012 0.000 3/19200 960.0 0.071 0.078 0.056 0.000 0.012 0.000 3/19200 970.0 0.070 0.077 0.055 0.000 0.012 0.000 3/19200 980.0 0.070 0.076 0.055 0.000 0.012 0.000 3/19200 990.0 0.069 0.076 0.054 0.000 0.011 0.000 3/19200 1000.0 0.068 0.075 0.054 0.000 0.011 0.000 3/19200 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:44:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|