----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:27:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.053705060580822 0.000000000000000 0.000000000000000 b 0.000000000000000 8.538021450000000 0.000000000000000 c -5.245528655477716 0.000000000000000 9.931062355095046 Atomic positions (fractional): *1 Cl 0.21769220865940 0.49044541000760 0.66735727044608 35.453 2 Cl 0.78230779134060 0.99044541000760 0.83264272955392 35.453 3 Cl 0.78230779134060 0.50955458999240 0.33264272955392 35.453 4 Cl 0.21769220865940 0.00955458999240 0.16735727044608 35.453 *5 Cl 0.75796115123447 0.00225099948529 0.51200635830229 35.453 6 Cl 0.24203884876553 0.50225099948529 0.98799364169771 35.453 7 Cl 0.24203884876553 0.99774900051471 0.48799364169771 35.453 8 Cl 0.75796115123447 0.49774900051471 0.01200635830229 35.453 *9 Te 0.30571001895270 0.33476653412187 0.36212877975656 127.600 10 Te 0.69428998104730 0.83476653412187 0.13787122024344 127.600 11 Te 0.69428998104730 0.66523346587813 0.63787122024344 127.600 12 Te 0.30571001895270 0.16523346587813 0.86212877975656 127.600 *13 Te 0.68804165899183 0.35176398474655 0.66672389496729 127.600 14 Te 0.31195834100817 0.85176398474655 0.83327610503271 127.600 15 Te 0.31195834100817 0.64823601525345 0.33327610503271 127.600 16 Te 0.68804165899183 0.14823601525346 0.16672389496729 127.600 *17 Te 0.99398581864978 0.24420975392342 0.58477363526838 127.600 18 Te 0.00601418135022 0.74420975392342 0.91522636473162 127.600 19 Te 0.00601418135022 0.75579024607658 0.41522636473162 127.600 20 Te 0.99398581864978 0.25579024607658 0.08477363526838 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.053705060580822 0.000000000000000 0.000000000000000 b 0.000000000000000 8.538021450000000 0.000000000000000 c -5.245528655477716 0.000000000000000 9.931062355095046 Atomic positions (fractional): *1 Cl 0.21769220865940 0.49044541000760 0.66735727044608 35.453 > 1 2 Cl 0.78230779134060 0.99044541000760 0.83264272955392 35.453 > 2 3 Cl 0.78230779134060 0.50955458999240 0.33264272955392 35.453 > 3 4 Cl 0.21769220865940 0.00955458999240 0.16735727044608 35.453 > 4 *5 Cl 0.75796115123447 0.00225099948529 0.51200635830229 35.453 > 5 6 Cl 0.24203884876553 0.50225099948529 0.98799364169771 35.453 > 6 7 Cl 0.24203884876553 0.99774900051471 0.48799364169771 35.453 > 7 8 Cl 0.75796115123447 0.49774900051471 0.01200635830229 35.453 > 8 *9 Te 0.30571001895270 0.33476653412187 0.36212877975656 127.600 > 9 10 Te 0.69428998104730 0.83476653412187 0.13787122024344 127.600 > 10 11 Te 0.69428998104730 0.66523346587813 0.63787122024344 127.600 > 11 12 Te 0.30571001895270 0.16523346587813 0.86212877975656 127.600 > 12 *13 Te 0.68804165899183 0.35176398474655 0.66672389496729 127.600 > 13 14 Te 0.31195834100817 0.85176398474655 0.83327610503271 127.600 > 14 15 Te 0.31195834100817 0.64823601525345 0.33327610503271 127.600 > 15 16 Te 0.68804165899183 0.14823601525346 0.16672389496729 127.600 > 16 *17 Te 0.99398581864978 0.24420975392342 0.58477363526838 127.600 > 17 18 Te 0.00601418135022 0.74420975392342 0.91522636473162 127.600 > 18 19 Te 0.00601418135022 0.75579024607658 0.41522636473162 127.600 > 19 20 Te 0.99398581864978 0.25579024607658 0.08477363526838 127.600 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.107410121161644 0.000000000000000 0.000000000000000 b 0.000000000000000 17.076042900000001 0.000000000000000 c -5.245528655477716 0.000000000000000 9.931062355095046 Atomic positions (fractional): *1 Cl 0.10884610432970 0.24522270500380 0.66735727044608 35.453 > 1 2 Cl 0.60884610432970 0.24522270500380 0.66735727044608 35.453 > 1 3 Cl 0.10884610432970 0.74522270500380 0.66735727044608 35.453 > 1 4 Cl 0.60884610432970 0.74522270500380 0.66735727044608 35.453 > 1 5 Cl 0.39115389567030 0.49522270500380 0.83264272955392 35.453 > 2 6 Cl 0.89115389567030 0.49522270500380 0.83264272955392 35.453 > 2 7 Cl 0.39115389567030 0.99522270500380 0.83264272955392 35.453 > 2 8 Cl 0.89115389567030 0.99522270500380 0.83264272955392 35.453 > 2 9 Cl 0.39115389567030 0.25477729499620 0.33264272955392 35.453 > 3 10 Cl 0.89115389567030 0.25477729499620 0.33264272955392 35.453 > 3 11 Cl 0.39115389567030 0.75477729499620 0.33264272955392 35.453 > 3 12 Cl 0.89115389567030 0.75477729499620 0.33264272955392 35.453 > 3 13 Cl 0.10884610432970 0.00477729499620 0.16735727044608 35.453 > 4 14 Cl 0.60884610432970 0.00477729499620 0.16735727044608 35.453 > 4 15 Cl 0.10884610432970 0.50477729499620 0.16735727044608 35.453 > 4 16 Cl 0.60884610432970 0.50477729499620 0.16735727044608 35.453 > 4 *17 Cl 0.37898057561724 0.00112549974264 0.51200635830229 35.453 > 5 18 Cl 0.87898057561724 0.00112549974264 0.51200635830229 35.453 > 5 19 Cl 0.37898057561724 0.50112549974264 0.51200635830229 35.453 > 5 20 Cl 0.87898057561724 0.50112549974264 0.51200635830229 35.453 > 5 21 Cl 0.12101942438276 0.25112549974264 0.98799364169771 35.453 > 6 22 Cl 0.62101942438276 0.25112549974264 0.98799364169771 35.453 > 6 23 Cl 0.12101942438276 0.75112549974264 0.98799364169771 35.453 > 6 24 Cl 0.62101942438276 0.75112549974264 0.98799364169771 35.453 > 6 25 Cl 0.12101942438276 0.49887450025736 0.48799364169771 35.453 > 7 26 Cl 0.62101942438276 0.49887450025736 0.48799364169771 35.453 > 7 27 Cl 0.12101942438276 0.99887450025736 0.48799364169771 35.453 > 7 28 Cl 0.62101942438276 0.99887450025736 0.48799364169771 35.453 > 7 29 Cl 0.37898057561724 0.24887450025736 0.01200635830229 35.453 > 8 30 Cl 0.87898057561724 0.24887450025736 0.01200635830229 35.453 > 8 31 Cl 0.37898057561724 0.74887450025736 0.01200635830229 35.453 > 8 32 Cl 0.87898057561724 0.74887450025736 0.01200635830229 35.453 > 8 *33 Te 0.15285500947635 0.16738326706094 0.36212877975656 127.600 > 9 34 Te 0.65285500947635 0.16738326706094 0.36212877975656 127.600 > 9 35 Te 0.15285500947635 0.66738326706093 0.36212877975656 127.600 > 9 36 Te 0.65285500947635 0.66738326706093 0.36212877975656 127.600 > 9 37 Te 0.34714499052365 0.41738326706093 0.13787122024344 127.600 > 10 38 Te 0.84714499052365 0.41738326706093 0.13787122024344 127.600 > 10 39 Te 0.34714499052365 0.91738326706093 0.13787122024344 127.600 > 10 40 Te 0.84714499052365 0.91738326706093 0.13787122024344 127.600 > 10 41 Te 0.34714499052365 0.33261673293907 0.63787122024344 127.600 > 11 42 Te 0.84714499052365 0.33261673293907 0.63787122024344 127.600 > 11 43 Te 0.34714499052365 0.83261673293907 0.63787122024344 127.600 > 11 44 Te 0.84714499052365 0.83261673293907 0.63787122024344 127.600 > 11 45 Te 0.15285500947635 0.08261673293907 0.86212877975656 127.600 > 12 46 Te 0.65285500947635 0.08261673293907 0.86212877975656 127.600 > 12 47 Te 0.15285500947635 0.58261673293907 0.86212877975656 127.600 > 12 48 Te 0.65285500947635 0.58261673293907 0.86212877975656 127.600 > 12 *49 Te 0.34402082949591 0.17588199237327 0.66672389496729 127.600 > 13 50 Te 0.84402082949591 0.17588199237327 0.66672389496729 127.600 > 13 51 Te 0.34402082949591 0.67588199237327 0.66672389496729 127.600 > 13 52 Te 0.84402082949591 0.67588199237327 0.66672389496729 127.600 > 13 53 Te 0.15597917050409 0.42588199237327 0.83327610503271 127.600 > 14 54 Te 0.65597917050409 0.42588199237327 0.83327610503271 127.600 > 14 55 Te 0.15597917050409 0.92588199237327 0.83327610503271 127.600 > 14 56 Te 0.65597917050409 0.92588199237327 0.83327610503271 127.600 > 14 57 Te 0.15597917050409 0.32411800762673 0.33327610503271 127.600 > 15 58 Te 0.65597917050409 0.32411800762673 0.33327610503271 127.600 > 15 59 Te 0.15597917050409 0.82411800762673 0.33327610503271 127.600 > 15 60 Te 0.65597917050409 0.82411800762673 0.33327610503271 127.600 > 15 61 Te 0.34402082949591 0.07411800762673 0.16672389496729 127.600 > 16 62 Te 0.84402082949591 0.07411800762673 0.16672389496729 127.600 > 16 63 Te 0.34402082949591 0.57411800762673 0.16672389496729 127.600 > 16 64 Te 0.84402082949591 0.57411800762673 0.16672389496729 127.600 > 16 *65 Te 0.49699290932489 0.12210487696171 0.58477363526838 127.600 > 17 66 Te 0.99699290932489 0.12210487696171 0.58477363526838 127.600 > 17 67 Te 0.49699290932489 0.62210487696171 0.58477363526838 127.600 > 17 68 Te 0.99699290932489 0.62210487696171 0.58477363526838 127.600 > 17 69 Te 0.00300709067511 0.37210487696171 0.91522636473162 127.600 > 18 70 Te 0.50300709067511 0.37210487696171 0.91522636473162 127.600 > 18 71 Te 0.00300709067511 0.87210487696171 0.91522636473162 127.600 > 18 72 Te 0.50300709067511 0.87210487696171 0.91522636473162 127.600 > 18 73 Te 0.00300709067511 0.37789512303829 0.41522636473162 127.600 > 19 74 Te 0.50300709067511 0.37789512303829 0.41522636473162 127.600 > 19 75 Te 0.00300709067511 0.87789512303829 0.41522636473162 127.600 > 19 76 Te 0.50300709067511 0.87789512303829 0.41522636473162 127.600 > 19 77 Te 0.49699290932489 0.12789512303829 0.08477363526838 127.600 > 20 78 Te 0.99699290932489 0.12789512303829 0.08477363526838 127.600 > 20 79 Te 0.49699290932489 0.62789512303829 0.08477363526838 127.600 > 20 80 Te 0.99699290932489 0.62789512303829 0.08477363526838 127.600 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3919306 0.0000000 3.2039332 0.0000000 11.8317702 0.0000000 3.2039308 0.0000000 12.7267337 -------------------------- Born effective charges -------------------------- 1 Cl -1.4829890 -0.4811306 -0.2923976 -0.9534881 -3.0916330 -0.1295888 -0.0428735 0.6097341 -1.1690419 2 Cl -1.4829890 0.4811306 -0.2923976 0.9534881 -3.0916330 0.1295888 -0.0428735 -0.6097341 -1.1690419 3 Cl -1.4829890 -0.4811306 -0.2923976 -0.9534881 -3.0916330 -0.1295888 -0.0428735 0.6097341 -1.1690419 4 Cl -1.4829890 0.4811306 -0.2923976 0.9534881 -3.0916330 0.1295888 -0.0428735 -0.6097341 -1.1690419 5 Cl -1.3318351 -0.1904304 -0.0519371 -0.6697032 -3.3609542 -0.7392076 -0.2409485 -0.9159789 -1.2558131 6 Cl -1.3318351 0.1904304 -0.0519371 0.6697032 -3.3609542 0.7392076 -0.2409485 0.9159789 -1.2558131 7 Cl -1.3318351 -0.1904304 -0.0519371 -0.6697032 -3.3609542 -0.7392076 -0.2409485 -0.9159789 -1.2558131 8 Cl -1.3318351 0.1904304 -0.0519371 0.6697032 -3.3609542 0.7392076 -0.2409485 0.9159789 -1.2558131 9 Te 0.5033240 0.6915169 2.0538416 0.7752475 0.7756202 0.7695466 1.3680866 1.1537781 3.7099608 10 Te 0.5033240 -0.6915169 2.0538416 -0.7752475 0.7756202 -0.7695466 1.3680866 -1.1537781 3.7099608 11 Te 0.5033240 0.6915169 2.0538416 0.7752475 0.7756202 0.7695466 1.3680866 1.1537781 3.7099608 12 Te 0.5033240 -0.6915169 2.0538416 -0.7752475 0.7756202 -0.7695466 1.3680866 -1.1537781 3.7099608 13 Te 0.6060858 -0.8137521 -0.8739991 -0.5568664 0.9706436 -0.5399986 -0.6219946 -0.6980693 -1.2759933 14 Te 0.6060858 0.8137521 -0.8739991 0.5568664 0.9706436 0.5399986 -0.6219946 0.6980693 -1.2759933 15 Te 0.6060858 -0.8137521 -0.8739991 -0.5568664 0.9706436 -0.5399986 -0.6219946 -0.6980693 -1.2759933 16 Te 0.6060858 0.8137521 -0.8739991 0.5568664 0.9706436 0.5399986 -0.6219946 0.6980693 -1.2759933 17 Te 1.7054143 0.9176762 -0.8355078 1.9025388 4.7063234 1.1801874 -0.4622699 0.6587238 -0.0091125 18 Te 1.7054143 -0.9176762 -0.8355078 -1.9025388 4.7063234 -1.1801874 -0.4622699 -0.6587238 -0.0091125 19 Te 1.7054143 0.9176762 -0.8355078 1.9025388 4.7063234 1.1801874 -0.4622699 0.6587238 -0.0091125 20 Te 1.7054143 -0.9176762 -0.8355078 -1.9025388 4.7063234 -1.1801874 -0.4622699 -0.6587238 -0.0091125 ---------------------------------------------------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.237 Solver_block: 200 / 640 - Time: 2.229 Solver_block: 300 / 640 - Time: 2.206 Solver_block: 400 / 640 - Time: 2.217 Solver_block: 500 / 640 - Time: 2.211 Solver_block: 600 / 640 - Time: 2.264 Solver_block: 640 / 640 - Time: 1.022 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.635 --------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), 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 06:28:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:28:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.053705060580822 0.000000000000000 0.000000000000000 b 0.000000000000000 8.538021450000000 0.000000000000000 c -5.245528655477716 0.000000000000000 9.931062355095046 Atomic positions (fractional): 1 Cl 0.21769220865940 0.49044541000760 0.66735727044608 35.453 2 Cl 0.78230779134060 0.99044541000760 0.83264272955392 35.453 3 Cl 0.78230779134060 0.50955458999240 0.33264272955392 35.453 4 Cl 0.21769220865940 0.00955458999240 0.16735727044608 35.453 5 Cl 0.75796115123447 0.00225099948529 0.51200635830229 35.453 6 Cl 0.24203884876553 0.50225099948529 0.98799364169771 35.453 7 Cl 0.24203884876553 0.99774900051471 0.48799364169771 35.453 8 Cl 0.75796115123447 0.49774900051471 0.01200635830229 35.453 9 Te 0.30571001895270 0.33476653412187 0.36212877975656 127.600 10 Te 0.69428998104730 0.83476653412187 0.13787122024344 127.600 11 Te 0.69428998104730 0.66523346587813 0.63787122024344 127.600 12 Te 0.30571001895270 0.16523346587813 0.86212877975656 127.600 13 Te 0.68804165899183 0.35176398474655 0.66672389496729 127.600 14 Te 0.31195834100817 0.85176398474655 0.83327610503271 127.600 15 Te 0.31195834100817 0.64823601525345 0.33327610503271 127.600 16 Te 0.68804165899183 0.14823601525346 0.16672389496729 127.600 17 Te 0.99398581864978 0.24420975392342 0.58477363526838 127.600 18 Te 0.00601418135022 0.74420975392342 0.91522636473162 127.600 19 Te 0.00601418135022 0.75579024607658 0.41522636473162 127.600 20 Te 0.99398581864978 0.25579024607658 0.08477363526838 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.107410121161644 0.000000000000000 0.000000000000000 b 0.000000000000000 17.076042900000001 0.000000000000000 c -5.245528655477716 0.000000000000000 9.931062355095046 Atomic positions (fractional): 1 Cl 0.10884610432970 0.24522270500380 0.66735727044608 35.453 > 1 2 Cl 0.60884610432970 0.24522270500380 0.66735727044608 35.453 > 1 3 Cl 0.10884610432970 0.74522270500380 0.66735727044608 35.453 > 1 4 Cl 0.60884610432970 0.74522270500380 0.66735727044608 35.453 > 1 5 Cl 0.39115389567030 0.49522270500380 0.83264272955392 35.453 > 5 6 Cl 0.89115389567030 0.49522270500380 0.83264272955392 35.453 > 5 7 Cl 0.39115389567030 0.99522270500380 0.83264272955392 35.453 > 5 8 Cl 0.89115389567030 0.99522270500380 0.83264272955392 35.453 > 5 9 Cl 0.39115389567030 0.25477729499620 0.33264272955392 35.453 > 9 10 Cl 0.89115389567030 0.25477729499620 0.33264272955392 35.453 > 9 11 Cl 0.39115389567030 0.75477729499620 0.33264272955392 35.453 > 9 12 Cl 0.89115389567030 0.75477729499620 0.33264272955392 35.453 > 9 13 Cl 0.10884610432970 0.00477729499620 0.16735727044608 35.453 > 13 14 Cl 0.60884610432970 0.00477729499620 0.16735727044608 35.453 > 13 15 Cl 0.10884610432970 0.50477729499620 0.16735727044608 35.453 > 13 16 Cl 0.60884610432970 0.50477729499620 0.16735727044608 35.453 > 13 17 Cl 0.37898057561724 0.00112549974264 0.51200635830229 35.453 > 17 18 Cl 0.87898057561724 0.00112549974264 0.51200635830229 35.453 > 17 19 Cl 0.37898057561724 0.50112549974264 0.51200635830229 35.453 > 17 20 Cl 0.87898057561724 0.50112549974264 0.51200635830229 35.453 > 17 21 Cl 0.12101942438276 0.25112549974264 0.98799364169771 35.453 > 21 22 Cl 0.62101942438276 0.25112549974264 0.98799364169771 35.453 > 21 23 Cl 0.12101942438276 0.75112549974264 0.98799364169771 35.453 > 21 24 Cl 0.62101942438276 0.75112549974264 0.98799364169771 35.453 > 21 25 Cl 0.12101942438276 0.49887450025736 0.48799364169771 35.453 > 25 26 Cl 0.62101942438276 0.49887450025736 0.48799364169771 35.453 > 25 27 Cl 0.12101942438276 0.99887450025736 0.48799364169771 35.453 > 25 28 Cl 0.62101942438276 0.99887450025736 0.48799364169771 35.453 > 25 29 Cl 0.37898057561724 0.24887450025736 0.01200635830229 35.453 > 29 30 Cl 0.87898057561724 0.24887450025736 0.01200635830229 35.453 > 29 31 Cl 0.37898057561724 0.74887450025736 0.01200635830229 35.453 > 29 32 Cl 0.87898057561724 0.74887450025736 0.01200635830229 35.453 > 29 33 Te 0.15285500947635 0.16738326706094 0.36212877975656 127.600 > 33 34 Te 0.65285500947635 0.16738326706094 0.36212877975656 127.600 > 33 35 Te 0.15285500947635 0.66738326706093 0.36212877975656 127.600 > 33 36 Te 0.65285500947635 0.66738326706093 0.36212877975656 127.600 > 33 37 Te 0.34714499052365 0.41738326706093 0.13787122024344 127.600 > 37 38 Te 0.84714499052365 0.41738326706093 0.13787122024344 127.600 > 37 39 Te 0.34714499052365 0.91738326706093 0.13787122024344 127.600 > 37 40 Te 0.84714499052365 0.91738326706093 0.13787122024344 127.600 > 37 41 Te 0.34714499052365 0.33261673293907 0.63787122024344 127.600 > 41 42 Te 0.84714499052365 0.33261673293907 0.63787122024344 127.600 > 41 43 Te 0.34714499052365 0.83261673293907 0.63787122024344 127.600 > 41 44 Te 0.84714499052365 0.83261673293907 0.63787122024344 127.600 > 41 45 Te 0.15285500947635 0.08261673293907 0.86212877975656 127.600 > 45 46 Te 0.65285500947635 0.08261673293907 0.86212877975656 127.600 > 45 47 Te 0.15285500947635 0.58261673293907 0.86212877975656 127.600 > 45 48 Te 0.65285500947635 0.58261673293907 0.86212877975656 127.600 > 45 49 Te 0.34402082949591 0.17588199237327 0.66672389496729 127.600 > 49 50 Te 0.84402082949591 0.17588199237327 0.66672389496729 127.600 > 49 51 Te 0.34402082949591 0.67588199237327 0.66672389496729 127.600 > 49 52 Te 0.84402082949591 0.67588199237327 0.66672389496729 127.600 > 49 53 Te 0.15597917050409 0.42588199237327 0.83327610503271 127.600 > 53 54 Te 0.65597917050409 0.42588199237327 0.83327610503271 127.600 > 53 55 Te 0.15597917050409 0.92588199237327 0.83327610503271 127.600 > 53 56 Te 0.65597917050409 0.92588199237327 0.83327610503271 127.600 > 53 57 Te 0.15597917050409 0.32411800762673 0.33327610503271 127.600 > 57 58 Te 0.65597917050409 0.32411800762673 0.33327610503271 127.600 > 57 59 Te 0.15597917050409 0.82411800762673 0.33327610503271 127.600 > 57 60 Te 0.65597917050409 0.82411800762673 0.33327610503271 127.600 > 57 61 Te 0.34402082949591 0.07411800762673 0.16672389496729 127.600 > 61 62 Te 0.84402082949591 0.07411800762673 0.16672389496729 127.600 > 61 63 Te 0.34402082949591 0.57411800762673 0.16672389496729 127.600 > 61 64 Te 0.84402082949591 0.57411800762673 0.16672389496729 127.600 > 61 65 Te 0.49699290932489 0.12210487696171 0.58477363526838 127.600 > 65 66 Te 0.99699290932489 0.12210487696171 0.58477363526838 127.600 > 65 67 Te 0.49699290932489 0.62210487696171 0.58477363526838 127.600 > 65 68 Te 0.99699290932489 0.62210487696171 0.58477363526838 127.600 > 65 69 Te 0.00300709067511 0.37210487696171 0.91522636473162 127.600 > 69 70 Te 0.50300709067511 0.37210487696171 0.91522636473162 127.600 > 69 71 Te 0.00300709067511 0.87210487696171 0.91522636473162 127.600 > 69 72 Te 0.50300709067511 0.87210487696171 0.91522636473162 127.600 > 69 73 Te 0.00300709067511 0.37789512303829 0.41522636473162 127.600 > 73 74 Te 0.50300709067511 0.37789512303829 0.41522636473162 127.600 > 73 75 Te 0.00300709067511 0.87789512303829 0.41522636473162 127.600 > 73 76 Te 0.50300709067511 0.87789512303829 0.41522636473162 127.600 > 73 77 Te 0.49699290932489 0.12789512303829 0.08477363526838 127.600 > 77 78 Te 0.99699290932489 0.12789512303829 0.08477363526838 127.600 > 77 79 Te 0.49699290932489 0.62789512303829 0.08477363526838 127.600 > 77 80 Te 0.99699290932489 0.62789512303829 0.08477363526838 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3919306 0.0000000 3.2039332 0.0000000 11.8317702 0.0000000 3.2039308 0.0000000 12.7267337 -------------------------- Born effective charges -------------------------- 1 Cl -1.4829890 -0.4811306 -0.2923976 -0.9534881 -3.0916330 -0.1295888 -0.0428735 0.6097341 -1.1690419 2 Cl -1.4829890 0.4811306 -0.2923976 0.9534881 -3.0916330 0.1295888 -0.0428735 -0.6097341 -1.1690419 3 Cl -1.4829890 -0.4811306 -0.2923976 -0.9534881 -3.0916330 -0.1295888 -0.0428735 0.6097341 -1.1690419 4 Cl -1.4829890 0.4811306 -0.2923976 0.9534881 -3.0916330 0.1295888 -0.0428735 -0.6097341 -1.1690419 5 Cl -1.3318351 -0.1904304 -0.0519371 -0.6697032 -3.3609542 -0.7392076 -0.2409485 -0.9159789 -1.2558131 6 Cl -1.3318351 0.1904304 -0.0519371 0.6697032 -3.3609542 0.7392076 -0.2409485 0.9159789 -1.2558131 7 Cl -1.3318351 -0.1904304 -0.0519371 -0.6697032 -3.3609542 -0.7392076 -0.2409485 -0.9159789 -1.2558131 8 Cl -1.3318351 0.1904304 -0.0519371 0.6697032 -3.3609542 0.7392076 -0.2409485 0.9159789 -1.2558131 9 Te 0.5033240 0.6915169 2.0538416 0.7752475 0.7756202 0.7695466 1.3680866 1.1537781 3.7099608 10 Te 0.5033240 -0.6915169 2.0538416 -0.7752475 0.7756202 -0.7695466 1.3680866 -1.1537781 3.7099608 11 Te 0.5033240 0.6915169 2.0538416 0.7752475 0.7756202 0.7695466 1.3680866 1.1537781 3.7099608 12 Te 0.5033240 -0.6915169 2.0538416 -0.7752475 0.7756202 -0.7695466 1.3680866 -1.1537781 3.7099608 13 Te 0.6060858 -0.8137521 -0.8739991 -0.5568664 0.9706436 -0.5399986 -0.6219946 -0.6980693 -1.2759933 14 Te 0.6060858 0.8137521 -0.8739991 0.5568664 0.9706436 0.5399986 -0.6219946 0.6980693 -1.2759933 15 Te 0.6060858 -0.8137521 -0.8739991 -0.5568664 0.9706436 -0.5399986 -0.6219946 -0.6980693 -1.2759933 16 Te 0.6060858 0.8137521 -0.8739991 0.5568664 0.9706436 0.5399986 -0.6219946 0.6980693 -1.2759933 17 Te 1.7054143 0.9176762 -0.8355078 1.9025388 4.7063234 1.1801874 -0.4622699 0.6587238 -0.0091125 18 Te 1.7054143 -0.9176762 -0.8355078 -1.9025388 4.7063234 -1.1801874 -0.4622699 -0.6587238 -0.0091125 19 Te 1.7054143 0.9176762 -0.8355078 1.9025388 4.7063234 1.1801874 -0.4622699 0.6587238 -0.0091125 20 Te 1.7054143 -0.9176762 -0.8355078 -1.9025388 4.7063234 -1.1801874 -0.4622699 -0.6587238 -0.0091125 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xz) 0.00000005 (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 06:28:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:28:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.053705060580822 0.000000000000000 0.000000000000000 b 0.000000000000000 8.538021450000000 0.000000000000000 c -5.245528655477716 0.000000000000000 9.931062355095046 Atomic positions (fractional): 1 Cl 0.21769220865940 0.49044541000760 0.66735727044608 35.453 2 Cl 0.78230779134060 0.99044541000760 0.83264272955392 35.453 3 Cl 0.78230779134060 0.50955458999240 0.33264272955392 35.453 4 Cl 0.21769220865940 0.00955458999240 0.16735727044608 35.453 5 Cl 0.75796115123447 0.00225099948529 0.51200635830229 35.453 6 Cl 0.24203884876553 0.50225099948529 0.98799364169771 35.453 7 Cl 0.24203884876553 0.99774900051471 0.48799364169771 35.453 8 Cl 0.75796115123447 0.49774900051471 0.01200635830229 35.453 9 Te 0.30571001895270 0.33476653412187 0.36212877975656 127.600 10 Te 0.69428998104730 0.83476653412187 0.13787122024344 127.600 11 Te 0.69428998104730 0.66523346587813 0.63787122024344 127.600 12 Te 0.30571001895270 0.16523346587813 0.86212877975656 127.600 13 Te 0.68804165899183 0.35176398474655 0.66672389496729 127.600 14 Te 0.31195834100817 0.85176398474655 0.83327610503271 127.600 15 Te 0.31195834100817 0.64823601525345 0.33327610503271 127.600 16 Te 0.68804165899183 0.14823601525346 0.16672389496729 127.600 17 Te 0.99398581864978 0.24420975392342 0.58477363526838 127.600 18 Te 0.00601418135022 0.74420975392342 0.91522636473162 127.600 19 Te 0.00601418135022 0.75579024607658 0.41522636473162 127.600 20 Te 0.99398581864978 0.25579024607658 0.08477363526838 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.107410121161644 0.000000000000000 0.000000000000000 b 0.000000000000000 17.076042900000001 0.000000000000000 c -5.245528655477716 0.000000000000000 9.931062355095046 Atomic positions (fractional): 1 Cl 0.10884610432970 0.24522270500380 0.66735727044608 35.453 > 1 2 Cl 0.60884610432970 0.24522270500380 0.66735727044608 35.453 > 1 3 Cl 0.10884610432970 0.74522270500380 0.66735727044608 35.453 > 1 4 Cl 0.60884610432970 0.74522270500380 0.66735727044608 35.453 > 1 5 Cl 0.39115389567030 0.49522270500380 0.83264272955392 35.453 > 5 6 Cl 0.89115389567030 0.49522270500380 0.83264272955392 35.453 > 5 7 Cl 0.39115389567030 0.99522270500380 0.83264272955392 35.453 > 5 8 Cl 0.89115389567030 0.99522270500380 0.83264272955392 35.453 > 5 9 Cl 0.39115389567030 0.25477729499620 0.33264272955392 35.453 > 9 10 Cl 0.89115389567030 0.25477729499620 0.33264272955392 35.453 > 9 11 Cl 0.39115389567030 0.75477729499620 0.33264272955392 35.453 > 9 12 Cl 0.89115389567030 0.75477729499620 0.33264272955392 35.453 > 9 13 Cl 0.10884610432970 0.00477729499620 0.16735727044608 35.453 > 13 14 Cl 0.60884610432970 0.00477729499620 0.16735727044608 35.453 > 13 15 Cl 0.10884610432970 0.50477729499620 0.16735727044608 35.453 > 13 16 Cl 0.60884610432970 0.50477729499620 0.16735727044608 35.453 > 13 17 Cl 0.37898057561724 0.00112549974264 0.51200635830229 35.453 > 17 18 Cl 0.87898057561724 0.00112549974264 0.51200635830229 35.453 > 17 19 Cl 0.37898057561724 0.50112549974264 0.51200635830229 35.453 > 17 20 Cl 0.87898057561724 0.50112549974264 0.51200635830229 35.453 > 17 21 Cl 0.12101942438276 0.25112549974264 0.98799364169771 35.453 > 21 22 Cl 0.62101942438276 0.25112549974264 0.98799364169771 35.453 > 21 23 Cl 0.12101942438276 0.75112549974264 0.98799364169771 35.453 > 21 24 Cl 0.62101942438276 0.75112549974264 0.98799364169771 35.453 > 21 25 Cl 0.12101942438276 0.49887450025736 0.48799364169771 35.453 > 25 26 Cl 0.62101942438276 0.49887450025736 0.48799364169771 35.453 > 25 27 Cl 0.12101942438276 0.99887450025736 0.48799364169771 35.453 > 25 28 Cl 0.62101942438276 0.99887450025736 0.48799364169771 35.453 > 25 29 Cl 0.37898057561724 0.24887450025736 0.01200635830229 35.453 > 29 30 Cl 0.87898057561724 0.24887450025736 0.01200635830229 35.453 > 29 31 Cl 0.37898057561724 0.74887450025736 0.01200635830229 35.453 > 29 32 Cl 0.87898057561724 0.74887450025736 0.01200635830229 35.453 > 29 33 Te 0.15285500947635 0.16738326706094 0.36212877975656 127.600 > 33 34 Te 0.65285500947635 0.16738326706094 0.36212877975656 127.600 > 33 35 Te 0.15285500947635 0.66738326706093 0.36212877975656 127.600 > 33 36 Te 0.65285500947635 0.66738326706093 0.36212877975656 127.600 > 33 37 Te 0.34714499052365 0.41738326706093 0.13787122024344 127.600 > 37 38 Te 0.84714499052365 0.41738326706093 0.13787122024344 127.600 > 37 39 Te 0.34714499052365 0.91738326706093 0.13787122024344 127.600 > 37 40 Te 0.84714499052365 0.91738326706093 0.13787122024344 127.600 > 37 41 Te 0.34714499052365 0.33261673293907 0.63787122024344 127.600 > 41 42 Te 0.84714499052365 0.33261673293907 0.63787122024344 127.600 > 41 43 Te 0.34714499052365 0.83261673293907 0.63787122024344 127.600 > 41 44 Te 0.84714499052365 0.83261673293907 0.63787122024344 127.600 > 41 45 Te 0.15285500947635 0.08261673293907 0.86212877975656 127.600 > 45 46 Te 0.65285500947635 0.08261673293907 0.86212877975656 127.600 > 45 47 Te 0.15285500947635 0.58261673293907 0.86212877975656 127.600 > 45 48 Te 0.65285500947635 0.58261673293907 0.86212877975656 127.600 > 45 49 Te 0.34402082949591 0.17588199237327 0.66672389496729 127.600 > 49 50 Te 0.84402082949591 0.17588199237327 0.66672389496729 127.600 > 49 51 Te 0.34402082949591 0.67588199237327 0.66672389496729 127.600 > 49 52 Te 0.84402082949591 0.67588199237327 0.66672389496729 127.600 > 49 53 Te 0.15597917050409 0.42588199237327 0.83327610503271 127.600 > 53 54 Te 0.65597917050409 0.42588199237327 0.83327610503271 127.600 > 53 55 Te 0.15597917050409 0.92588199237327 0.83327610503271 127.600 > 53 56 Te 0.65597917050409 0.92588199237327 0.83327610503271 127.600 > 53 57 Te 0.15597917050409 0.32411800762673 0.33327610503271 127.600 > 57 58 Te 0.65597917050409 0.32411800762673 0.33327610503271 127.600 > 57 59 Te 0.15597917050409 0.82411800762673 0.33327610503271 127.600 > 57 60 Te 0.65597917050409 0.82411800762673 0.33327610503271 127.600 > 57 61 Te 0.34402082949591 0.07411800762673 0.16672389496729 127.600 > 61 62 Te 0.84402082949591 0.07411800762673 0.16672389496729 127.600 > 61 63 Te 0.34402082949591 0.57411800762673 0.16672389496729 127.600 > 61 64 Te 0.84402082949591 0.57411800762673 0.16672389496729 127.600 > 61 65 Te 0.49699290932489 0.12210487696171 0.58477363526838 127.600 > 65 66 Te 0.99699290932489 0.12210487696171 0.58477363526838 127.600 > 65 67 Te 0.49699290932489 0.62210487696171 0.58477363526838 127.600 > 65 68 Te 0.99699290932489 0.62210487696171 0.58477363526838 127.600 > 65 69 Te 0.00300709067511 0.37210487696171 0.91522636473162 127.600 > 69 70 Te 0.50300709067511 0.37210487696171 0.91522636473162 127.600 > 69 71 Te 0.00300709067511 0.87210487696171 0.91522636473162 127.600 > 69 72 Te 0.50300709067511 0.87210487696171 0.91522636473162 127.600 > 69 73 Te 0.00300709067511 0.37789512303829 0.41522636473162 127.600 > 73 74 Te 0.50300709067511 0.37789512303829 0.41522636473162 127.600 > 73 75 Te 0.00300709067511 0.87789512303829 0.41522636473162 127.600 > 73 76 Te 0.50300709067511 0.87789512303829 0.41522636473162 127.600 > 73 77 Te 0.49699290932489 0.12789512303829 0.08477363526838 127.600 > 77 78 Te 0.99699290932489 0.12789512303829 0.08477363526838 127.600 > 77 79 Te 0.49699290932489 0.62789512303829 0.08477363526838 127.600 > 77 80 Te 0.99699290932489 0.62789512303829 0.08477363526838 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.3919306 0.0000000 3.2039332 0.0000000 11.8317702 0.0000000 3.2039308 0.0000000 12.7267337 -------------------------- Born effective charges -------------------------- 1 Cl -1.4829890 -0.4811306 -0.2923976 -0.9534881 -3.0916330 -0.1295888 -0.0428735 0.6097341 -1.1690419 2 Cl -1.4829890 0.4811306 -0.2923976 0.9534881 -3.0916330 0.1295888 -0.0428735 -0.6097341 -1.1690419 3 Cl -1.4829890 -0.4811306 -0.2923976 -0.9534881 -3.0916330 -0.1295888 -0.0428735 0.6097341 -1.1690419 4 Cl -1.4829890 0.4811306 -0.2923976 0.9534881 -3.0916330 0.1295888 -0.0428735 -0.6097341 -1.1690419 5 Cl -1.3318351 -0.1904304 -0.0519371 -0.6697032 -3.3609542 -0.7392076 -0.2409485 -0.9159789 -1.2558131 6 Cl -1.3318351 0.1904304 -0.0519371 0.6697032 -3.3609542 0.7392076 -0.2409485 0.9159789 -1.2558131 7 Cl -1.3318351 -0.1904304 -0.0519371 -0.6697032 -3.3609542 -0.7392076 -0.2409485 -0.9159789 -1.2558131 8 Cl -1.3318351 0.1904304 -0.0519371 0.6697032 -3.3609542 0.7392076 -0.2409485 0.9159789 -1.2558131 9 Te 0.5033240 0.6915169 2.0538416 0.7752475 0.7756202 0.7695466 1.3680866 1.1537781 3.7099608 10 Te 0.5033240 -0.6915169 2.0538416 -0.7752475 0.7756202 -0.7695466 1.3680866 -1.1537781 3.7099608 11 Te 0.5033240 0.6915169 2.0538416 0.7752475 0.7756202 0.7695466 1.3680866 1.1537781 3.7099608 12 Te 0.5033240 -0.6915169 2.0538416 -0.7752475 0.7756202 -0.7695466 1.3680866 -1.1537781 3.7099608 13 Te 0.6060858 -0.8137521 -0.8739991 -0.5568664 0.9706436 -0.5399986 -0.6219946 -0.6980693 -1.2759933 14 Te 0.6060858 0.8137521 -0.8739991 0.5568664 0.9706436 0.5399986 -0.6219946 0.6980693 -1.2759933 15 Te 0.6060858 -0.8137521 -0.8739991 -0.5568664 0.9706436 -0.5399986 -0.6219946 -0.6980693 -1.2759933 16 Te 0.6060858 0.8137521 -0.8739991 0.5568664 0.9706436 0.5399986 -0.6219946 0.6980693 -1.2759933 17 Te 1.7054143 0.9176762 -0.8355078 1.9025388 4.7063234 1.1801874 -0.4622699 0.6587238 -0.0091125 18 Te 1.7054143 -0.9176762 -0.8355078 -1.9025388 4.7063234 -1.1801874 -0.4622699 -0.6587238 -0.0091125 19 Te 1.7054143 0.9176762 -0.8355078 1.9025388 4.7063234 1.1801874 -0.4622699 0.6587238 -0.0091125 20 Te 1.7054143 -0.9176762 -0.8355078 -1.9025388 4.7063234 -1.1801874 -0.4622699 -0.6587238 -0.0091125 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx) 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 6 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: 0.49, Number of G-points: 301, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.668 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.749 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 6.713 0.000 11.363) 13.197 0.299 ( 14.633 0.000 4.644) 15.352 0.584 ( 21.937 0.000 17.719) 28.200 0.747 ( 7.764 0.000 2.055) 8.031 0.968 ( 5.562 0.000 0.505) 5.585 1.063 ( 5.366 0.000 3.211) 6.253 1.091 ( -0.901 0.000 -5.636) 5.708 1.190 ( 1.318 0.000 -0.953) 1.626 1.265 ( -2.301 0.000 -3.755) 4.404 1.440 ( -1.548 0.000 1.171) 1.941 1.469 ( 0.680 0.000 -2.495) 2.586 1.585 ( -2.713 0.000 -2.589) 3.751 1.632 ( -4.310 0.000 -1.053) 4.437 1.649 ( 0.986 0.000 0.230) 1.012 1.740 ( 5.726 0.000 4.753) 7.442 1.869 ( 0.171 0.000 2.769) 2.774 1.960 ( -1.263 0.000 -0.269) 1.291 2.027 ( -0.917 0.000 -3.809) 3.918 2.033 ( 1.122 0.000 -0.470) 1.217 2.156 ( -1.108 0.000 -0.037) 1.109 2.182 ( -4.736 0.000 -1.592) 4.997 2.200 ( 2.855 0.000 1.112) 3.064 2.378 ( -4.678 0.000 -4.786) 6.692 2.386 ( 0.660 0.000 4.114) 4.167 2.515 ( 2.272 0.000 -0.293) 2.291 2.567 ( -1.409 0.000 -0.970) 1.710 2.638 ( 1.642 0.000 0.145) 1.648 2.664 ( -9.179 0.000 0.852) 9.218 2.693 ( 3.413 0.000 4.242) 5.445 2.784 ( -0.988 0.000 3.169) 3.319 2.815 ( 2.722 0.000 1.371) 3.048 3.013 ( 2.606 0.000 -1.019) 2.798 3.121 ( 0.603 0.000 -1.019) 1.184 3.195 ( 3.185 0.000 -0.841) 3.294 3.345 ( 0.974 0.000 -1.089) 1.462 3.415 ( 2.875 0.000 1.224) 3.124 3.479 ( -2.250 0.000 0.299) 2.270 3.521 ( -2.615 0.000 2.272) 3.464 3.831 ( -1.128 0.000 0.587) 1.271 3.892 ( -0.158 0.000 0.909) 0.922 4.125 ( -0.925 0.000 0.739) 1.184 4.194 ( -2.197 0.000 -0.111) 2.200 4.306 ( -0.078 0.000 0.922) 0.925 4.384 ( -2.986 0.000 -0.188) 2.992 4.778 ( 2.307 0.000 1.758) 2.901 4.829 ( 3.504 0.000 2.040) 4.054 4.905 ( -1.072 0.000 -1.766) 2.066 5.148 ( -0.360 0.000 -1.537) 1.579 5.647 ( -0.098 0.000 0.473) 0.483 5.658 ( -0.284 0.000 -0.424) 0.510 5.791 ( 0.217 0.000 0.210) 0.302 5.807 ( -0.392 0.000 -0.775) 0.869 6.352 ( 0.891 0.000 -2.026) 2.214 6.589 ( 5.662 0.000 -5.632) 7.986 6.771 ( -0.292 0.000 4.877) 4.885 7.244 ( -5.832 0.000 -3.815) 6.969 7.567 ( 0.432 0.000 -0.023) 0.433 7.572 ( -0.156 0.000 -0.305) 0.343 7.600 ( 2.463 0.000 1.797) 3.049 7.650 ( -0.122 0.000 -0.628) 0.640 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 4.774 0.000 8.578) 9.817 0.589 ( 12.231 0.000 5.139) 13.266 0.917 ( 2.591 0.000 2.713) 3.751 1.010 ( 2.829 0.000 -6.399) 6.997 1.017 ( 6.431 0.000 -8.980) 11.045 1.070 ( 13.741 0.000 11.647) 18.013 1.186 ( 1.168 0.000 -3.657) 3.839 1.222 ( 6.518 0.000 3.917) 7.604 1.240 ( 0.833 0.000 0.277) 0.878 1.378 ( -4.644 0.000 -1.916) 5.024 1.487 ( 2.194 0.000 -0.540) 2.259 1.506 ( -6.712 0.000 -1.152) 6.810 1.553 ( 2.537 0.000 -1.245) 2.826 1.639 ( 0.495 0.000 -3.991) 4.022 1.890 ( -1.619 0.000 1.011) 1.909 1.921 ( 5.544 0.000 6.471) 8.521 1.932 ( -0.704 0.000 2.946) 3.029 1.994 ( -0.333 0.000 -3.345) 3.361 2.045 ( -0.002 0.000 -0.299) 0.299 2.059 ( -4.306 0.000 -1.725) 4.639 2.127 ( -1.945 0.000 0.660) 2.054 2.237 ( 1.003 0.000 -1.554) 1.850 2.302 ( -0.132 0.000 0.316) 0.342 2.374 ( -3.812 0.000 -3.365) 5.084 2.525 ( -2.726 0.000 0.315) 2.744 2.555 ( -1.270 0.000 0.393) 1.329 2.580 ( 2.452 0.000 3.683) 4.425 2.660 ( 0.617 0.000 -0.505) 0.797 2.788 ( 3.156 0.000 3.197) 4.492 2.788 ( 0.115 0.000 -1.327) 1.332 2.883 ( 3.456 0.000 0.616) 3.510 3.064 ( 3.635 0.000 -0.460) 3.664 3.128 ( 1.411 0.000 -1.556) 2.100 3.215 ( -0.173 0.000 -1.135) 1.148 3.354 ( 2.839 0.000 -4.113) 4.998 3.439 ( -0.833 0.000 -1.594) 1.799 3.484 ( -4.977 0.000 4.158) 6.485 3.487 ( 1.301 0.000 4.564) 4.746 3.807 ( -1.980 0.000 0.337) 2.009 3.900 ( 0.006 0.000 1.091) 1.091 4.117 ( -0.950 0.000 1.286) 1.599 4.152 ( -2.354 0.000 0.457) 2.398 4.312 ( -0.399 0.000 1.210) 1.274 4.320 ( -2.934 0.000 -1.764) 3.423 4.851 ( 3.182 0.000 2.805) 4.242 4.858 ( -1.642 0.000 -2.640) 3.109 4.918 ( 3.989 0.000 1.809) 4.380 5.120 ( -0.669 0.000 -2.384) 2.476 5.646 ( -0.515 0.000 -0.568) 0.767 5.655 ( 0.257 0.000 1.046) 1.077 5.786 ( -0.794 0.000 -1.420) 1.627 5.800 ( 0.362 0.000 0.438) 0.568 6.355 ( 2.064 0.000 -2.792) 3.472 6.647 ( 5.094 0.000 -3.409) 6.129 6.824 ( 0.045 0.000 6.949) 6.949 7.089 ( -6.587 0.000 -4.402) 7.922 7.569 ( 0.318 0.000 -0.468) 0.566 7.576 ( 0.512 0.000 0.101) 0.522 7.636 ( -0.524 0.000 -1.206) 1.315 7.653 ( 1.645 0.000 1.330) 2.115 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 2.176 0.000 3.873) 4.442 0.787 ( 4.736 0.000 2.452) 5.333 0.873 ( 1.183 0.000 -7.746) 7.835 0.950 ( -0.047 0.000 -7.629) 7.629 1.123 ( 3.195 0.000 0.951) 3.334 1.158 ( 1.759 0.000 -1.501) 2.313 1.242 ( -4.180 0.000 -4.958) 6.485 1.264 ( 0.352 0.000 1.433) 1.475 1.292 ( 2.488 0.000 1.788) 3.064 1.358 ( 3.592 0.000 3.536) 5.041 1.394 ( -3.811 0.000 -1.446) 4.076 1.502 ( -0.805 0.000 -1.582) 1.775 1.650 ( 4.632 0.000 -0.867) 4.713 1.659 ( 5.189 0.000 1.624) 5.437 1.863 ( -2.042 0.000 0.981) 2.266 1.902 ( -1.698 0.000 -0.169) 1.706 1.954 ( -0.079 0.000 0.906) 0.909 1.978 ( 1.451 0.000 0.698) 1.611 2.046 ( 0.265 0.000 -1.267) 1.295 2.081 ( -0.541 0.000 0.934) 1.079 2.191 ( 4.350 0.000 8.105) 9.199 2.221 ( -0.071 0.000 -2.846) 2.847 2.268 ( -1.566 0.000 -3.546) 3.877 2.343 ( 2.053 0.000 1.711) 2.672 2.476 ( -4.117 0.000 2.171) 4.655 2.566 ( -0.153 0.000 2.421) 2.426 2.645 ( 0.650 0.000 1.114) 1.290 2.649 ( 0.070 0.000 -2.472) 2.473 2.763 ( 0.271 0.000 -3.152) 3.164 2.855 ( 1.530 0.000 1.895) 2.436 2.941 ( 2.571 0.000 -0.017) 2.571 3.124 ( 2.474 0.000 0.829) 2.609 3.137 ( 0.847 0.000 -0.929) 1.257 3.179 ( -0.930 0.000 -2.818) 2.968 3.365 ( 3.332 0.000 -5.378) 6.327 3.422 ( -0.492 0.000 0.305) 0.579 3.428 ( -5.919 0.000 5.342) 7.973 3.538 ( 0.554 0.000 2.533) 2.593 3.776 ( -1.359 0.000 -0.031) 1.359 3.910 ( 0.123 0.000 0.644) 0.656 4.115 ( -0.507 0.000 0.914) 1.045 4.126 ( -1.281 0.000 0.817) 1.519 4.258 ( -1.910 0.000 -1.730) 2.577 4.313 ( -0.449 0.000 0.782) 0.902 4.807 ( -1.288 0.000 -2.001) 2.379 4.928 ( 2.301 0.000 2.338) 3.280 4.989 ( 2.386 0.000 0.763) 2.505 5.086 ( -0.676 0.000 -1.887) 2.004 5.632 ( -0.433 0.000 -0.379) 0.575 5.678 ( 0.906 0.000 1.661) 1.892 5.754 ( -1.075 0.000 -1.840) 2.131 5.810 ( 0.327 0.000 0.339) 0.471 6.374 ( 2.365 0.000 -1.858) 3.007 6.687 ( 1.957 0.000 -1.582) 2.517 6.897 ( 1.437 0.000 4.831) 5.041 6.950 ( -4.611 0.000 -3.035) 5.521 7.574 ( 0.490 0.000 -0.208) 0.532 7.585 ( 0.293 0.000 0.144) 0.327 7.611 ( -0.733 0.000 -1.214) 1.418 7.683 ( 0.711 0.000 0.668) 0.976 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 0.000 -0.000) 0.000 0.823 ( 0.000 0.000 -0.000) 0.000 0.850 ( 0.000 0.000 -0.000) 0.000 0.904 ( 0.000 0.000 -0.000) 0.000 1.124 ( -0.000 0.000 -0.000) 0.000 1.193 ( 0.000 0.000 -0.000) 0.000 1.226 ( 0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 0.000 -0.000) 0.000 1.347 ( 0.000 0.000 -0.000) 0.000 1.420 ( 0.000 0.000 -0.000) 0.000 1.465 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 -0.000) 0.000 1.721 ( -0.000 0.000 -0.000) 0.000 1.828 ( 0.000 0.000 -0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 -0.000) 0.000 2.050 ( 0.000 0.000 -0.000) 0.000 2.063 ( -0.000 0.000 -0.000) 0.000 2.195 ( 0.000 0.000 -0.000) 0.000 2.216 ( 0.000 0.000 -0.000) 0.000 2.320 ( 0.000 0.000 -0.000) 0.000 2.378 ( 0.000 0.000 -0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 -0.000) 0.000 2.635 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 -0.000) 0.000 2.965 ( 0.000 0.000 -0.000) 0.000 3.138 ( 0.000 0.000 -0.000) 0.000 3.140 ( 0.000 0.000 -0.000) 0.000 3.170 ( 0.000 0.000 -0.000) 0.000 3.370 ( 0.000 0.000 -0.000) 0.000 3.395 ( -0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 -0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 -0.000) 0.000 3.915 ( 0.000 0.000 -0.000) 0.000 4.115 ( 0.000 0.000 -0.000) 0.000 4.119 ( 0.000 0.000 -0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 -0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 -0.000) 0.000 5.069 ( 0.000 0.000 -0.000) 0.000 5.626 ( 0.000 0.000 -0.000) 0.000 5.712 ( -0.000 0.000 -0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 -0.000) 0.000 6.390 ( 0.000 0.000 -0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 -0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 -0.000) 0.000 7.597 ( 0.000 0.000 -0.000) 0.000 7.692 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 0.000 12.252 0.000) 12.252 0.300 ( 0.000 14.952 0.000) 14.952 0.614 ( 0.000 29.570 0.000) 29.570 0.701 ( 0.000 0.587 0.000) 0.587 0.924 ( 0.000 2.354 0.000) 2.354 1.009 ( 0.000 2.024 0.000) 2.024 1.172 ( 0.000 3.193 0.000) 3.193 1.203 ( 0.000 1.028 0.000) 1.028 1.343 ( 0.000 1.876 0.000) 1.876 1.437 ( 0.000 0.530 0.000) 0.530 1.458 ( 0.000 -1.127 0.000) 1.127 1.621 ( 0.000 1.221 0.000) 1.221 1.642 ( 0.000 3.499 0.000) 3.499 1.719 ( 0.000 3.521 0.000) 3.521 1.757 ( 0.000 5.858 0.000) 5.858 1.905 ( 0.000 4.054 0.000) 4.054 1.950 ( 0.000 -1.534 0.000) 1.534 2.040 ( 0.000 1.734 0.000) 1.734 2.077 ( 0.000 -0.355 0.000) 0.355 2.125 ( 0.000 -0.286 0.000) 0.286 2.145 ( 0.000 -0.739 0.000) 0.739 2.214 ( 0.000 -1.407 0.000) 1.407 2.279 ( 0.000 -2.278 0.000) 2.278 2.424 ( 0.000 2.202 0.000) 2.202 2.479 ( 0.000 -0.842 0.000) 0.842 2.542 ( 0.000 -5.866 0.000) 5.866 2.589 ( 0.000 -1.594 0.000) 1.594 2.607 ( 0.000 0.106 0.000) 0.106 2.663 ( 0.000 -0.454 0.000) 0.454 2.742 ( 0.000 -3.683 0.000) 3.683 2.834 ( 0.000 -4.465 0.000) 4.465 2.857 ( 0.000 -0.989 0.000) 0.989 3.032 ( 0.000 2.098 0.000) 2.098 3.118 ( 0.000 -0.383 0.000) 0.383 3.336 ( 0.000 0.559 0.000) 0.559 3.405 ( 0.000 -0.157 0.000) 0.157 3.491 ( 0.000 -0.837 0.000) 0.837 3.519 ( 0.000 -1.441 0.000) 1.441 3.854 ( 0.000 1.504 0.000) 1.504 3.899 ( 0.000 0.902 0.000) 0.902 4.129 ( 0.000 -0.202 0.000) 0.202 4.204 ( 0.000 -1.372 0.000) 1.372 4.289 ( 0.000 0.010 0.000) 0.010 4.367 ( 0.000 -0.736 0.000) 0.736 4.749 ( 0.000 0.145 0.000) 0.145 4.780 ( 0.000 -0.235 0.000) 0.235 4.924 ( 0.000 0.290 0.000) 0.290 5.133 ( 0.000 -2.571 0.000) 2.571 5.652 ( 0.000 0.515 0.000) 0.515 5.660 ( 0.000 -0.221 0.000) 0.221 5.768 ( 0.000 0.432 0.000) 0.432 5.810 ( 0.000 -0.413 0.000) 0.413 6.447 ( 0.000 4.825 0.000) 4.825 6.747 ( 0.000 -0.238 0.000) 0.238 7.269 ( 0.000 -5.210 0.000) 5.210 7.490 ( 0.000 -10.098 0.000) 10.098 7.553 ( 0.000 -0.771 0.000) 0.771 7.566 ( 0.000 0.419 0.000) 0.419 7.595 ( 0.000 1.699 0.000) 1.699 7.850 ( 0.000 1.723 0.000) 1.723 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 11.180 8.947 4.202) 14.923 0.574 ( 10.733 12.302 7.344) 17.902 0.721 ( 9.926 17.656 10.788) 22.948 0.776 ( 7.605 3.922 3.657) 9.306 0.968 ( 3.666 0.516 -0.354) 3.719 1.075 ( 4.859 0.395 2.078) 5.300 1.133 ( -0.907 1.715 -4.983) 5.348 1.191 ( 0.963 2.402 -1.720) 3.107 1.304 ( -1.982 4.150 -3.327) 5.676 1.419 ( -0.630 -1.344 -0.166) 1.494 1.519 ( 2.278 3.847 0.229) 4.477 1.607 ( -1.278 1.889 -2.026) 3.051 1.641 ( -1.283 1.575 0.315) 2.056 1.690 ( -0.628 4.134 1.121) 4.329 1.777 ( 1.734 3.244 2.051) 4.212 1.910 ( -0.519 3.433 2.451) 4.250 1.958 ( -0.162 -0.602 -0.371) 0.726 2.008 ( -1.486 -0.755 -2.667) 3.145 2.055 ( 0.665 1.522 -0.539) 1.746 2.115 ( -1.724 -2.692 0.121) 3.199 2.170 ( -2.434 0.197 -2.008) 3.162 2.199 ( 2.731 -1.064 0.962) 3.085 2.350 ( 0.881 -3.950 4.129) 5.782 2.390 ( -4.524 0.610 -4.636) 6.506 2.479 ( 0.869 -2.395 1.201) 2.817 2.515 ( 0.710 -4.259 -0.741) 4.381 2.583 ( -2.784 -3.025 1.239) 4.294 2.636 ( 1.467 -1.213 0.959) 2.131 2.696 ( 2.253 -0.647 1.078) 2.580 2.768 ( 0.812 -1.436 1.962) 2.563 2.814 ( 0.660 -1.444 -0.448) 1.650 2.968 ( 5.924 -4.712 0.391) 7.579 3.081 ( 3.627 -1.787 1.560) 4.334 3.125 ( 1.848 -0.637 -0.455) 2.007 3.342 ( 1.568 0.057 -1.978) 2.525 3.431 ( 2.628 0.035 -0.074) 2.629 3.474 ( -2.040 -0.601 0.751) 2.255 3.505 ( -2.660 -1.125 2.428) 3.773 3.851 ( -1.156 1.363 0.845) 1.977 3.901 ( -0.175 0.763 0.589) 0.980 4.122 ( -1.298 -0.311 0.626) 1.475 4.189 ( -0.897 -0.540 -0.284) 1.085 4.300 ( 0.009 -0.851 0.741) 1.128 4.355 ( -1.606 -0.921 0.376) 1.889 4.780 ( 2.319 0.198 1.836) 2.964 4.823 ( 3.290 -0.551 1.947) 3.863 4.908 ( -0.874 0.441 -1.688) 1.952 5.122 ( -0.341 -2.633 -1.662) 3.132 5.653 ( -0.114 0.353 0.275) 0.462 5.658 ( -0.045 0.168 -0.140) 0.224 5.770 ( 0.038 -0.299 0.380) 0.486 5.804 ( -0.389 -0.385 -0.595) 0.809 6.463 ( 1.163 5.151 -0.136) 5.283 6.756 ( -1.219 -0.345 3.454) 3.679 7.008 ( -18.933 15.830 -20.426) 32.035 7.191 ( -5.739 -4.949 -3.697) 8.432 7.584 ( 0.433 1.615 -1.071) 1.986 7.595 ( 2.189 -0.395 1.551) 2.712 7.612 ( 1.134 0.577 -0.081) 1.275 7.672 ( -3.060 5.204 -3.247) 6.855 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 11.323 6.315 5.129) 13.943 0.724 ( 3.558 18.852 4.686) 19.749 0.917 ( 2.404 0.096 2.205) 3.263 0.998 ( 4.125 -0.187 -5.075) 6.543 1.038 ( 2.318 -0.277 -5.663) 6.125 1.110 ( 10.938 4.345 7.042) 13.716 1.191 ( -0.287 1.347 -3.729) 3.975 1.206 ( 4.884 -0.192 1.515) 5.117 1.278 ( 3.385 3.447 0.658) 4.876 1.387 ( -1.113 2.768 -2.729) 4.043 1.545 ( 0.548 5.330 0.376) 5.372 1.553 ( -5.153 2.510 0.091) 5.733 1.591 ( 1.883 4.302 -1.508) 4.932 1.679 ( -0.410 3.600 -3.993) 5.392 1.903 ( 3.730 -0.196 4.870) 6.138 1.913 ( -0.993 1.040 1.654) 2.192 1.953 ( 0.099 -0.009 3.315) 3.317 1.981 ( 0.458 -0.162 -1.148) 1.246 2.038 ( -4.060 -1.294 -0.830) 4.341 2.072 ( 0.982 2.310 -0.941) 2.681 2.127 ( -1.256 0.101 0.602) 1.397 2.229 ( 0.641 -1.517 -1.757) 2.408 2.294 ( -1.228 -0.225 -0.282) 1.280 2.385 ( -1.850 0.387 -1.322) 2.307 2.454 ( -1.901 -6.027 0.894) 6.382 2.515 ( -2.555 -3.890 1.143) 4.792 2.560 ( 3.434 -0.937 -0.117) 3.561 2.660 ( 0.616 -0.802 0.345) 1.069 2.770 ( 2.145 -1.621 2.490) 3.665 2.785 ( 0.347 -0.890 -0.199) 0.975 2.860 ( 3.651 -1.204 -0.011) 3.845 3.043 ( 3.565 -2.553 -0.573) 4.422 3.114 ( 1.657 -0.908 -1.287) 2.286 3.177 ( 1.816 -2.354 -0.323) 2.991 3.351 ( 3.125 -0.325 -4.879) 5.803 3.436 ( -0.725 -0.644 -2.038) 2.257 3.474 ( -4.369 -0.810 4.611) 6.403 3.490 ( 0.559 0.209 4.577) 4.616 3.826 ( -2.087 1.498 0.405) 2.601 3.905 ( -0.098 0.333 0.866) 0.932 4.102 ( -0.962 -0.714 0.169) 1.210 4.172 ( -1.633 1.163 1.222) 2.348 4.289 ( -1.510 -1.819 -0.874) 2.521 4.329 ( -1.245 0.494 0.598) 1.467 4.846 ( 1.286 -0.237 0.476) 1.392 4.870 ( 0.467 0.833 0.358) 1.020 4.914 ( 3.901 -0.354 1.403) 4.161 5.092 ( -0.651 -2.698 -2.560) 3.776 5.647 ( -0.330 0.203 -0.395) 0.553 5.664 ( 0.287 0.749 0.852) 1.170 5.772 ( -0.293 -0.977 -0.027) 1.021 5.788 ( -0.421 -0.550 -0.563) 0.892 6.450 ( -0.531 6.683 -3.248) 7.450 6.718 ( -0.807 4.978 -2.973) 5.854 6.813 ( -0.621 -0.435 3.245) 3.332 7.042 ( -6.225 -4.520 -3.790) 8.576 7.575 ( 0.179 0.987 -0.931) 1.369 7.613 ( -0.335 2.882 -1.068) 3.091 7.625 ( -0.331 -0.807 -1.346) 1.604 7.652 ( 1.858 -0.118 1.283) 2.261 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 1.541 15.327 -0.241) 15.406 0.840 ( 2.348 6.466 2.232) 7.232 0.905 ( 1.366 3.799 -3.629) 5.429 0.943 ( 1.748 -2.346 -5.236) 5.998 1.096 ( 0.434 -1.595 -0.124) 1.658 1.147 ( 3.294 0.960 -4.181) 5.409 1.247 ( 2.455 -0.916 0.800) 2.740 1.276 ( 1.277 0.228 -0.458) 1.376 1.302 ( -3.534 3.661 -1.673) 5.357 1.396 ( 3.632 2.725 0.122) 4.542 1.453 ( -4.442 5.023 -0.505) 6.724 1.545 ( -1.192 4.276 -0.591) 4.478 1.664 ( 3.141 2.144 -0.977) 3.926 1.690 ( 5.345 2.556 1.512) 6.114 1.871 ( -3.256 1.351 -0.035) 3.525 1.921 ( -0.473 0.104 1.410) 1.491 1.965 ( 0.916 -1.613 -0.426) 1.903 1.978 ( 0.051 1.751 2.309) 2.898 2.072 ( 0.879 2.960 -1.179) 3.305 2.103 ( -0.472 2.214 1.204) 2.564 2.176 ( 4.046 -1.245 6.021) 7.361 2.225 ( 2.589 -0.513 0.651) 2.718 2.273 ( -2.327 1.145 -3.144) 4.076 2.339 ( 0.872 -0.453 1.146) 1.510 2.439 ( -1.801 -3.423 1.481) 4.142 2.518 ( -0.687 -4.469 2.804) 5.321 2.614 ( 2.445 -1.691 -0.566) 3.026 2.654 ( -1.302 -0.375 -0.786) 1.566 2.759 ( 0.287 -0.664 -4.039) 4.104 2.816 ( -0.479 -3.876 2.725) 4.762 2.920 ( 2.849 -1.017 -0.196) 3.031 3.086 ( 1.777 -3.490 -0.690) 3.977 3.139 ( 1.805 0.121 -0.111) 1.812 3.172 ( -0.322 -0.632 -1.918) 2.045 3.361 ( 3.310 -0.433 -5.359) 6.313 3.406 ( -2.689 -0.661 1.850) 3.331 3.444 ( -2.781 0.398 3.297) 4.332 3.532 ( 0.180 -0.700 2.464) 2.567 3.795 ( -1.424 1.656 0.050) 2.185 3.912 ( 0.068 0.007 0.607) 0.610 4.098 ( 0.446 -0.641 0.028) 0.781 4.151 ( -1.988 1.607 1.247) 2.844 4.247 ( -1.508 -0.923 -1.182) 2.127 4.320 ( -0.549 0.240 0.447) 0.747 4.813 ( -1.101 0.580 -1.850) 2.229 4.935 ( 2.217 0.661 2.510) 3.413 4.983 ( 2.411 -0.739 0.528) 2.576 5.058 ( -0.596 -2.523 -1.904) 3.216 5.638 ( -0.258 0.618 -0.302) 0.734 5.684 ( 0.820 0.414 1.304) 1.595 5.752 ( -1.003 -0.023 -1.258) 1.609 5.787 ( 0.068 -1.748 0.266) 1.770 6.425 ( 0.986 4.317 -2.478) 5.074 6.711 ( 0.326 1.953 -0.157) 1.986 6.829 ( -1.804 -5.211 0.808) 5.573 6.943 ( -1.497 -1.845 0.325) 2.398 7.574 ( 0.332 0.390 -0.466) 0.692 7.594 ( -0.472 -0.424 -0.975) 1.163 7.611 ( -0.138 1.136 -0.850) 1.426 7.686 ( 0.903 0.100 0.660) 1.123 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.000 13.132 -0.000) 13.132 0.838 ( 0.000 0.733 -0.000) 0.733 0.876 ( 0.000 7.272 0.000) 7.272 0.966 ( 0.000 3.706 -0.000) 3.706 1.116 ( -0.000 -1.601 -0.000) 1.601 1.168 ( 0.000 -1.548 0.000) 1.548 1.232 ( 0.000 0.658 0.000) 0.658 1.235 ( -0.000 1.992 -0.000) 1.992 1.339 ( 0.000 -0.343 0.000) 0.343 1.373 ( -0.000 5.499 -0.000) 5.499 1.440 ( 0.000 1.403 -0.000) 1.403 1.523 ( 0.000 5.509 0.000) 5.509 1.698 ( 0.000 0.769 -0.000) 0.769 1.748 ( -0.000 2.343 -0.000) 2.343 1.830 ( 0.000 0.325 -0.000) 0.325 1.955 ( 0.000 1.560 0.000) 1.560 1.980 ( -0.000 -3.855 0.000) 3.855 1.985 ( 0.000 2.216 -0.000) 2.216 2.086 ( 0.000 3.893 -0.000) 3.893 2.090 ( -0.000 2.422 -0.000) 2.422 2.211 ( -0.000 1.435 -0.000) 1.435 2.215 ( 0.000 0.117 0.000) 0.117 2.321 ( 0.000 0.106 -0.000) 0.106 2.364 ( -0.000 -1.321 -0.000) 1.321 2.427 ( 0.000 -1.449 0.000) 1.449 2.530 ( 0.000 -4.724 0.000) 4.724 2.611 ( 0.000 -0.497 -0.000) 0.497 2.633 ( 0.000 -0.634 0.000) 0.634 2.742 ( 0.000 -1.682 -0.000) 1.682 2.821 ( 0.000 -4.966 0.000) 4.966 2.946 ( 0.000 -1.141 -0.000) 1.141 3.097 ( -0.000 -3.638 0.000) 3.638 3.150 ( 0.000 0.636 -0.000) 0.636 3.166 ( 0.000 -0.404 0.000) 0.404 3.366 ( 0.000 -0.332 -0.000) 0.332 3.384 ( -0.000 -0.445 0.000) 0.445 3.437 ( 0.000 0.757 -0.000) 0.757 3.544 ( 0.000 -1.022 -0.000) 1.022 3.782 ( 0.000 1.682 -0.000) 1.682 3.916 ( 0.000 -0.068 -0.000) 0.068 4.109 ( 0.000 -0.667 -0.000) 0.667 4.133 ( -0.000 1.577 -0.000) 1.577 4.226 ( 0.000 -0.424 0.000) 0.424 4.317 ( 0.000 0.067 0.000) 0.067 4.793 ( 0.000 0.827 -0.000) 0.827 4.970 ( 0.000 0.726 -0.000) 0.726 5.005 ( 0.000 -1.252 -0.000) 1.252 5.043 ( 0.000 -2.048 -0.000) 2.048 5.634 ( 0.000 0.819 -0.000) 0.819 5.708 ( -0.000 -0.845 -0.000) 0.845 5.726 ( 0.000 1.304 0.000) 1.304 5.789 ( 0.000 -2.066 -0.000) 2.066 6.426 ( 0.000 3.156 -0.000) 3.156 6.714 ( 0.000 1.726 0.000) 1.726 6.799 ( 0.000 -6.640 -0.000) 6.640 6.950 ( 0.000 -1.168 -0.000) 1.168 7.575 ( -0.000 0.164 0.000) 0.164 7.583 ( 0.000 -0.933 -0.000) 0.933 7.606 ( 0.000 1.335 -0.000) 1.335 7.697 ( 0.000 0.182 -0.000) 0.182 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 8.838 0.000) 8.838 0.586 ( 0.000 14.356 0.000) 14.356 0.675 ( 0.000 -2.911 0.000) 2.911 0.979 ( 0.000 1.612 0.000) 1.612 1.046 ( 0.000 1.307 0.000) 1.307 1.055 ( 0.000 4.128 0.000) 4.128 1.194 ( 0.000 10.795 0.000) 10.795 1.255 ( 0.000 3.573 0.000) 3.573 1.368 ( 0.000 -0.000 0.000) 0.000 1.453 ( 0.000 0.682 0.000) 0.682 1.525 ( 0.000 6.929 0.000) 6.929 1.664 ( 0.000 2.214 0.000) 2.214 1.720 ( 0.000 4.185 0.000) 4.185 1.816 ( 0.000 5.838 0.000) 5.838 1.865 ( 0.000 4.678 0.000) 4.678 1.899 ( 0.000 -3.349 0.000) 3.349 1.984 ( 0.000 3.513 0.000) 3.513 2.060 ( 0.000 -3.056 0.000) 3.056 2.080 ( 0.000 -1.876 0.000) 1.876 2.103 ( 0.000 1.319 0.000) 1.319 2.121 ( 0.000 -0.114 0.000) 0.114 2.218 ( 0.000 -3.752 0.000) 3.752 2.224 ( 0.000 2.215 0.000) 2.215 2.365 ( 0.000 -6.897 0.000) 6.897 2.440 ( 0.000 -0.748 0.000) 0.748 2.526 ( 0.000 2.468 0.000) 2.468 2.533 ( 0.000 -4.377 0.000) 4.377 2.621 ( 0.000 0.907 0.000) 0.907 2.635 ( 0.000 -2.572 0.000) 2.572 2.670 ( 0.000 -2.825 0.000) 2.825 2.770 ( 0.000 -1.297 0.000) 1.297 2.823 ( 0.000 -2.287 0.000) 2.287 3.064 ( 0.000 1.297 0.000) 1.297 3.107 ( 0.000 -0.804 0.000) 0.804 3.347 ( 0.000 0.684 0.000) 0.684 3.399 ( 0.000 -0.812 0.000) 0.812 3.479 ( 0.000 -0.275 0.000) 0.275 3.488 ( 0.000 -1.275 0.000) 1.275 3.887 ( 0.000 1.633 0.000) 1.633 3.915 ( 0.000 0.462 0.000) 0.462 4.123 ( 0.000 -0.283 0.000) 0.283 4.166 ( 0.000 -2.342 0.000) 2.342 4.298 ( 0.000 1.031 0.000) 1.031 4.350 ( 0.000 -1.006 0.000) 1.006 4.752 ( 0.000 0.208 0.000) 0.208 4.771 ( 0.000 -0.639 0.000) 0.639 4.944 ( 0.000 1.895 0.000) 1.895 5.069 ( 0.000 -3.720 0.000) 3.720 5.657 ( 0.000 0.039 0.000) 0.039 5.661 ( 0.000 0.282 0.000) 0.282 5.777 ( 0.000 0.493 0.000) 0.493 5.799 ( 0.000 -0.636 0.000) 0.636 6.566 ( 0.000 6.735 0.000) 6.735 6.734 ( 0.000 -1.375 0.000) 1.375 7.165 ( 0.000 -4.307 0.000) 4.307 7.277 ( 0.000 -9.917 0.000) 9.917 7.559 ( 0.000 0.530 0.000) 0.530 7.573 ( 0.000 0.099 0.000) 0.099 7.646 ( 0.000 3.778 0.000) 3.778 7.831 ( 0.000 -3.388 0.000) 3.388 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 9.236 7.812 2.597) 12.373 0.735 ( 8.311 4.196 5.455) 10.791 0.776 ( 8.401 2.456 5.280) 10.222 1.000 ( 2.980 1.606 -1.409) 3.667 1.038 ( -0.269 -2.016 -2.288) 3.061 1.096 ( 3.263 1.421 1.671) 3.931 1.216 ( 1.516 16.443 4.684) 17.164 1.270 ( 2.042 4.311 -0.802) 4.837 1.368 ( -1.597 0.565 -4.574) 4.878 1.451 ( 3.764 4.574 0.458) 5.941 1.578 ( 2.855 2.523 2.883) 4.778 1.657 ( -1.579 2.322 0.989) 2.977 1.697 ( -1.190 4.199 -2.293) 4.930 1.790 ( -1.617 5.388 0.028) 5.626 1.858 ( -0.765 5.249 0.888) 5.378 1.911 ( -0.175 -3.784 1.015) 3.922 1.963 ( -2.415 -0.846 -1.573) 3.003 2.006 ( -0.986 1.531 -0.111) 1.825 2.088 ( -0.480 0.670 -0.385) 0.910 2.096 ( -0.696 0.817 -1.537) 1.875 2.142 ( 1.546 -3.593 -0.293) 3.922 2.194 ( -2.375 1.479 -1.367) 3.114 2.249 ( 1.872 -5.423 3.637) 6.793 2.362 ( -1.798 -6.994 2.041) 7.504 2.398 ( -4.362 0.119 -4.522) 6.285 2.473 ( 1.369 -1.847 -0.801) 2.434 2.577 ( -1.085 1.560 -0.857) 2.084 2.606 ( 2.291 -0.763 -0.238) 2.426 2.663 ( 1.811 -2.475 1.880) 3.597 2.722 ( 3.023 -3.461 -0.468) 4.619 2.797 ( 2.981 0.889 0.829) 3.219 2.890 ( 4.928 -3.242 1.858) 6.185 3.078 ( 1.650 0.655 -0.090) 1.778 3.113 ( 1.159 -0.699 -0.439) 1.423 3.344 ( 1.713 0.291 -3.583) 3.982 3.406 ( 2.841 -2.337 -4.972) 6.185 3.473 ( -2.240 0.518 4.560) 5.107 3.488 ( -2.732 -0.485 4.408) 5.209 3.879 ( -1.193 1.519 0.599) 2.022 3.912 ( -0.418 0.231 0.225) 0.528 4.117 ( -1.098 0.016 0.600) 1.251 4.166 ( 0.424 -1.767 -0.069) 1.818 4.294 ( -0.729 0.518 0.107) 0.901 4.341 ( -0.985 -0.946 0.120) 1.371 4.784 ( 2.363 0.269 1.844) 3.009 4.808 ( 2.816 -0.879 1.804) 3.458 4.930 ( -0.593 1.947 -1.586) 2.581 5.056 ( -0.471 -3.826 -1.734) 4.227 5.656 ( -0.066 0.232 0.004) 0.241 5.666 ( 0.264 0.256 0.299) 0.474 5.773 ( -0.447 0.343 0.013) 0.563 5.793 ( -0.470 -0.608 -0.311) 0.829 6.576 ( 0.143 6.146 1.205) 6.265 6.736 ( -1.284 -1.713 2.717) 3.459 7.082 ( -8.853 -3.496 -5.515) 11.001 7.088 ( -8.825 -3.669 -8.074) 12.511 7.587 ( 2.173 0.043 0.889) 2.348 7.607 ( 2.043 -0.480 0.127) 2.103 7.632 ( -0.590 3.211 -1.370) 3.541 7.745 ( -3.941 0.355 -4.952) 6.339 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 9.865 5.512 1.987) 11.474 0.903 ( 5.286 -0.189 2.965) 6.064 0.954 ( 3.430 2.346 3.054) 5.157 0.985 ( -1.617 -1.200 -1.908) 2.774 1.055 ( 5.475 2.942 -3.389) 7.079 1.156 ( 2.743 -1.722 -0.777) 3.330 1.264 ( 1.149 3.505 -5.255) 6.421 1.310 ( 0.786 7.233 -2.732) 7.771 1.366 ( 4.703 10.633 5.361) 12.803 1.491 ( 1.273 6.838 -2.175) 7.287 1.596 ( -2.176 1.537 -1.415) 3.017 1.672 ( 1.168 6.182 1.176) 6.400 1.673 ( 0.429 3.519 1.443) 3.827 1.757 ( -1.065 4.282 -2.933) 5.299 1.884 ( -0.435 -3.965 0.371) 4.006 1.903 ( -0.465 -2.079 0.039) 2.131 1.930 ( 1.708 0.944 4.275) 4.699 2.009 ( 0.840 1.192 3.028) 3.361 2.040 ( -4.007 1.866 -1.919) 4.819 2.108 ( 0.929 0.639 0.052) 1.128 2.131 ( 0.005 -1.074 1.181) 1.596 2.173 ( 0.431 -2.053 0.024) 2.098 2.288 ( -1.761 -1.758 1.308) 2.811 2.322 ( -1.016 -5.738 0.773) 5.879 2.367 ( 0.500 -2.037 2.448) 3.223 2.438 ( -1.831 -3.673 -3.079) 5.131 2.578 ( 2.393 3.090 -1.740) 4.279 2.638 ( 1.092 -0.325 0.366) 1.196 2.721 ( 0.617 -2.866 3.394) 4.484 2.750 ( 1.738 -2.902 -2.260) 4.069 2.866 ( 3.779 1.643 -0.228) 4.127 2.976 ( 3.449 -3.665 -0.364) 5.045 3.108 ( 2.015 0.322 -0.619) 2.132 3.144 ( 1.963 -1.217 -0.113) 2.312 3.344 ( 3.104 -0.209 -5.610) 6.414 3.399 ( 1.906 -2.768 -4.680) 5.762 3.470 ( -4.547 0.436 5.972) 7.519 3.492 ( -1.544 -0.163 5.513) 5.728 3.857 ( -1.755 1.651 0.485) 2.458 3.906 ( -0.560 -0.390 0.384) 0.783 4.103 ( -0.430 0.946 -0.173) 1.054 4.175 ( -0.223 -1.183 0.865) 1.482 4.271 ( -1.602 0.403 -0.295) 1.678 4.323 ( -1.052 -1.106 0.150) 1.533 4.846 ( 1.479 0.291 0.506) 1.590 4.877 ( 2.077 -0.502 2.393) 3.208 4.918 ( 2.112 1.281 -0.657) 2.556 5.026 ( -0.415 -3.676 -2.396) 4.407 5.655 ( -0.041 0.616 -0.063) 0.621 5.675 ( 0.363 0.208 0.497) 0.650 5.764 ( -0.544 0.065 0.158) 0.570 5.779 ( -0.766 -0.457 -0.384) 0.971 6.567 ( -2.121 5.332 -0.803) 5.794 6.730 ( -2.838 -2.595 3.198) 5.002 6.846 ( -4.627 2.165 -5.226) 7.308 6.941 ( -5.472 -4.855 -2.849) 7.850 7.600 ( -0.549 1.209 -1.256) 1.828 7.614 ( 0.073 -0.142 -1.561) 1.570 7.649 ( 1.864 -0.042 0.648) 1.974 7.659 ( -1.140 1.187 -2.709) 3.170 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -1.406 0.535 -4.983) 5.205 0.916 ( 4.336 2.218 -2.163) 5.329 0.964 ( 1.166 1.376 0.365) 1.840 1.032 ( -0.723 -3.673 1.538) 4.047 1.129 ( 4.834 7.993 0.419) 9.350 1.189 ( 2.512 3.851 -2.875) 5.423 1.261 ( 3.560 0.697 -1.921) 4.105 1.299 ( -0.677 3.387 -0.878) 3.564 1.399 ( -2.172 5.568 -3.679) 7.018 1.471 ( -0.036 6.647 -0.188) 6.650 1.528 ( -3.437 1.727 -3.219) 5.016 1.676 ( -0.993 8.157 1.182) 8.302 1.726 ( 0.861 3.875 -1.776) 4.349 1.741 ( 3.880 2.163 1.077) 4.571 1.857 ( -1.021 -6.081 -0.863) 6.226 1.897 ( -3.171 -0.735 -0.655) 3.321 1.956 ( 0.274 2.189 2.675) 3.468 1.998 ( 0.229 -0.638 1.332) 1.495 2.118 ( 0.667 1.176 2.904) 3.203 2.147 ( 3.025 -0.217 0.576) 3.087 2.174 ( 1.125 3.030 3.836) 5.016 2.197 ( 5.217 -2.071 3.365) 6.544 2.293 ( -0.161 0.329 0.790) 0.871 2.312 ( -0.741 -2.727 2.436) 3.731 2.382 ( 0.644 -1.402 -1.335) 2.041 2.424 ( -0.287 -4.315 2.636) 5.065 2.599 ( 2.013 0.817 -2.287) 3.155 2.645 ( -0.708 0.080 -0.044) 0.714 2.729 ( 0.801 -2.770 -4.424) 5.281 2.739 ( -2.786 -3.073 2.601) 4.896 2.918 ( 2.449 0.790 -0.724) 2.673 3.012 ( 1.748 -3.681 -1.099) 4.220 3.141 ( 1.776 0.185 -0.052) 1.786 3.158 ( 0.368 -0.685 -0.943) 1.222 3.351 ( 2.832 -0.382 -4.207) 5.086 3.387 ( -0.177 -1.518 -1.335) 2.029 3.450 ( -2.817 0.758 4.245) 5.151 3.510 ( -0.929 -1.496 2.952) 3.438 3.832 ( -1.206 2.082 0.146) 2.411 3.902 ( -0.228 -1.078 0.384) 1.166 4.102 ( 0.544 1.068 -0.478) 1.291 4.168 ( -1.243 -0.570 0.579) 1.485 4.240 ( -1.359 0.813 -0.237) 1.602 4.309 ( -0.602 -1.412 0.050) 1.535 4.833 ( -0.609 1.611 -1.420) 2.233 4.936 ( 1.239 -2.019 1.825) 2.990 4.965 ( 2.224 0.144 -0.257) 2.244 5.010 ( 0.617 -1.840 -0.627) 2.040 5.654 ( 0.035 0.966 -0.093) 0.971 5.686 ( 0.331 -0.272 0.451) 0.622 5.757 ( -0.376 0.326 -0.012) 0.498 5.763 ( -0.592 -0.385 -0.017) 0.707 6.511 ( -1.350 4.235 -2.073) 4.905 6.695 ( -3.077 -5.075 1.090) 6.034 6.775 ( -1.702 1.428 -1.318) 2.583 6.883 ( -0.668 -3.684 1.400) 3.998 7.584 ( -0.023 0.450 -0.904) 1.010 7.586 ( -0.623 -0.103 -1.462) 1.593 7.639 ( 0.064 1.378 -1.003) 1.705 7.680 ( 0.962 -0.694 0.304) 1.224 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.000 0.731 -0.000) 0.731 0.886 ( 0.000 3.605 0.000) 3.605 0.977 ( 0.000 -2.747 0.000) 2.747 1.035 ( 0.000 -2.521 0.000) 2.521 1.188 ( 0.000 3.872 -0.000) 3.872 1.201 ( 0.000 12.980 0.000) 12.980 1.263 ( -0.000 2.326 -0.000) 2.326 1.302 ( 0.000 1.271 -0.000) 1.271 1.353 ( 0.000 3.517 0.000) 3.517 1.460 ( -0.000 2.188 0.000) 2.188 1.479 ( 0.000 3.911 -0.000) 3.911 1.670 ( -0.000 9.019 0.000) 9.019 1.728 ( 0.000 2.219 -0.000) 2.219 1.807 ( -0.000 3.560 -0.000) 3.560 1.823 ( 0.000 -1.394 -0.000) 1.394 1.853 ( 0.000 -8.546 0.000) 8.546 1.979 ( 0.000 0.271 -0.000) 0.271 2.011 ( 0.000 -0.936 0.000) 0.936 2.139 ( 0.000 2.381 -0.000) 2.381 2.156 ( -0.000 1.910 -0.000) 1.910 2.239 ( -0.000 2.631 -0.000) 2.631 2.246 ( 0.000 2.067 0.000) 2.067 2.320 ( 0.000 -0.530 0.000) 0.530 2.335 ( 0.000 -1.455 -0.000) 1.455 2.383 ( 0.000 -2.080 0.000) 2.080 2.433 ( -0.000 -4.582 -0.000) 4.582 2.613 ( -0.000 0.790 0.000) 0.790 2.620 ( 0.000 -0.232 -0.000) 0.232 2.700 ( 0.000 -2.282 -0.000) 2.282 2.724 ( -0.000 -4.329 0.000) 4.329 2.936 ( 0.000 0.346 -0.000) 0.346 3.023 ( -0.000 -3.622 0.000) 3.622 3.154 ( 0.000 -0.046 -0.000) 0.046 3.159 ( -0.000 -0.264 0.000) 0.264 3.359 ( 0.000 -0.343 -0.000) 0.343 3.376 ( -0.000 -0.656 0.000) 0.656 3.447 ( -0.000 0.692 0.000) 0.692 3.515 ( 0.000 -1.874 -0.000) 1.874 3.822 ( 0.000 2.242 -0.000) 2.242 3.903 ( 0.000 -1.381 -0.000) 1.381 4.107 ( 0.000 0.606 -0.000) 0.606 4.155 ( 0.000 -0.097 0.000) 0.097 4.226 ( 0.000 1.021 0.000) 1.021 4.304 ( 0.000 -1.504 0.000) 1.504 4.820 ( 0.000 2.023 -0.000) 2.023 4.948 ( 0.000 -3.968 -0.000) 3.968 4.987 ( 0.000 0.926 0.000) 0.926 5.019 ( 0.000 -0.704 -0.000) 0.704 5.654 ( 0.000 1.098 -0.000) 1.098 5.692 ( -0.000 -0.811 -0.000) 0.811 5.752 ( 0.000 1.060 0.000) 1.060 5.759 ( -0.000 -0.670 -0.000) 0.670 6.491 ( 0.000 3.321 0.000) 3.321 6.667 ( 0.000 -6.401 -0.000) 6.401 6.755 ( 0.000 2.438 0.000) 2.438 6.891 ( 0.000 -4.164 -0.000) 4.164 7.573 ( -0.000 -0.026 0.000) 0.026 7.581 ( 0.000 0.163 -0.000) 0.163 7.635 ( 0.000 1.550 -0.000) 1.550 7.690 ( 0.000 -0.937 -0.000) 0.937 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 -5.266 0.000) 5.266 0.596 ( 0.000 5.266 0.000) 5.266 0.851 ( 0.000 -12.189 0.000) 12.189 0.851 ( 0.000 12.189 0.000) 12.189 1.053 ( 0.000 -0.495 0.000) 0.495 1.053 ( 0.000 0.495 0.000) 0.495 1.330 ( 0.000 -3.603 0.000) 3.603 1.330 ( 0.000 3.603 0.000) 3.603 1.424 ( 0.000 -5.600 0.000) 5.600 1.424 ( 0.000 5.600 0.000) 5.600 1.655 ( 0.000 -4.475 0.000) 4.475 1.655 ( 0.000 4.475 0.000) 4.475 1.805 ( 0.000 -4.852 0.000) 4.852 1.805 ( 0.000 4.852 0.000) 4.852 1.938 ( 0.000 -5.542 0.000) 5.542 1.938 ( 0.000 5.542 0.000) 5.542 1.972 ( 0.000 -3.008 0.000) 3.008 1.972 ( 0.000 3.008 0.000) 3.008 2.079 ( 0.000 -3.319 0.000) 3.319 2.079 ( 0.000 3.319 0.000) 3.319 2.163 ( 0.000 -2.598 0.000) 2.598 2.163 ( 0.000 2.598 0.000) 2.598 2.278 ( 0.000 -3.018 0.000) 3.018 2.278 ( 0.000 3.018 0.000) 3.018 2.449 ( 0.000 -2.745 0.000) 2.745 2.449 ( 0.000 2.745 0.000) 2.745 2.579 ( 0.000 -2.848 0.000) 2.848 2.579 ( 0.000 2.848 0.000) 2.848 2.636 ( 0.000 -0.918 0.000) 0.918 2.636 ( 0.000 0.918 0.000) 0.918 2.780 ( 0.000 -1.769 0.000) 1.769 2.780 ( 0.000 1.769 0.000) 1.769 3.087 ( 0.000 -1.147 0.000) 1.147 3.087 ( 0.000 1.147 0.000) 1.147 3.370 ( 0.000 -1.696 0.000) 1.696 3.370 ( 0.000 1.696 0.000) 1.696 3.477 ( 0.000 -0.049 0.000) 0.049 3.477 ( 0.000 0.049 0.000) 0.049 3.912 ( 0.000 -0.804 0.000) 0.804 3.912 ( 0.000 0.804 0.000) 0.804 4.129 ( 0.000 -1.107 0.000) 1.107 4.129 ( 0.000 1.107 0.000) 1.107 4.325 ( 0.000 -1.512 0.000) 1.512 4.325 ( 0.000 1.512 0.000) 1.512 4.759 ( 0.000 -0.502 0.000) 0.502 4.759 ( 0.000 0.502 0.000) 0.502 4.997 ( 0.000 -3.398 0.000) 3.398 4.997 ( 0.000 3.398 0.000) 3.398 5.661 ( 0.000 -0.241 0.000) 0.241 5.661 ( 0.000 0.241 0.000) 0.241 5.787 ( 0.000 -0.573 0.000) 0.573 5.787 ( 0.000 0.573 0.000) 0.573 6.681 ( 0.000 -4.390 0.000) 4.390 6.681 ( 0.000 4.390 0.000) 4.390 7.144 ( 0.000 -2.921 0.000) 2.921 7.144 ( 0.000 2.921 0.000) 2.921 7.569 ( 0.000 -0.428 0.000) 0.428 7.569 ( 0.000 0.428 0.000) 0.428 7.739 ( 0.000 -5.330 0.000) 5.330 7.739 ( 0.000 5.330 0.000) 5.330 ======================= Grid point 29 (17/84) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 7.897 -4.617 2.821) 9.573 0.693 ( 7.897 4.617 2.821) 9.573 0.913 ( 3.660 -7.279 2.738) 8.595 0.913 ( 3.660 7.279 2.738) 8.595 1.067 ( 2.391 -2.357 -1.404) 3.639 1.067 ( 2.391 2.357 -1.404) 3.639 1.333 ( 0.792 -2.633 -1.516) 3.140 1.333 ( 0.792 2.633 -1.516) 3.140 1.472 ( 4.444 -4.273 3.041) 6.874 1.472 ( 4.444 4.273 3.041) 6.874 1.649 ( -1.208 -3.628 1.165) 3.998 1.649 ( -1.208 3.628 1.165) 3.998 1.802 ( -1.252 -6.439 -0.526) 6.581 1.802 ( -1.252 6.439 -0.526) 6.581 1.892 ( -2.335 -4.883 -1.445) 5.603 1.892 ( -2.335 4.883 -1.445) 5.603 1.977 ( -0.185 -6.323 1.215) 6.441 1.977 ( -0.185 6.323 1.215) 6.441 2.080 ( -0.511 -2.653 -1.177) 2.947 2.080 ( -0.511 2.653 -1.177) 2.947 2.157 ( 0.254 -3.243 -0.361) 3.273 2.157 ( 0.254 3.243 -0.361) 3.273 2.255 ( -2.215 -4.038 1.422) 4.820 2.255 ( -2.215 4.038 1.422) 4.820 2.421 ( -1.580 -2.461 -2.994) 4.185 2.421 ( -1.580 2.461 -2.994) 4.185 2.606 ( 1.606 -1.985 2.248) 3.402 2.606 ( 1.606 1.985 2.248) 3.402 2.653 ( 2.710 -3.209 -1.967) 4.638 2.653 ( 2.710 3.209 -1.967) 4.638 2.834 ( 4.044 -2.537 1.575) 5.027 2.834 ( 4.044 2.537 1.575) 5.027 3.096 ( 1.176 -1.004 -0.268) 1.569 3.096 ( 1.176 1.004 -0.268) 1.569 3.362 ( 1.983 -1.708 -5.066) 5.702 3.362 ( 1.983 1.708 -5.066) 5.702 3.482 ( -2.348 -0.323 5.068) 5.595 3.482 ( -2.348 0.323 5.068) 5.595 3.905 ( -0.899 -0.962 0.276) 1.346 3.905 ( -0.899 0.962 0.276) 1.346 4.131 ( 0.100 -1.462 0.338) 1.504 4.131 ( 0.100 1.462 0.338) 1.504 4.316 ( -0.908 -1.464 -0.111) 1.726 4.316 ( -0.908 1.464 -0.111) 1.726 4.793 ( 2.531 -0.618 1.756) 3.142 4.793 ( 2.531 0.618 1.756) 3.142 4.983 ( -0.559 -3.403 -1.645) 3.821 4.983 ( -0.559 3.403 -1.645) 3.821 5.664 ( 0.172 -0.387 0.185) 0.462 5.664 ( 0.172 0.387 0.185) 0.462 5.782 ( -0.511 -0.570 -0.123) 0.775 5.782 ( -0.511 0.570 -0.123) 0.775 6.681 ( -1.100 -4.171 1.848) 4.692 6.681 ( -1.100 4.171 1.848) 4.692 7.040 ( -7.248 -0.619 -4.951) 8.799 7.040 ( -7.248 0.619 -4.951) 8.799 7.595 ( 1.982 -0.612 0.323) 2.100 7.595 ( 1.982 0.612 0.323) 2.100 7.703 ( -1.872 -3.663 -2.778) 4.964 7.703 ( -1.872 3.663 -2.778) 4.964 ======================= Grid point 31 (18/84) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 7.396 -3.620 1.426) 8.357 0.863 ( 7.396 3.620 1.426) 8.357 0.972 ( 0.156 -0.564 0.826) 1.012 0.972 ( 0.156 0.564 0.826) 1.012 1.111 ( 4.368 -2.721 -1.028) 5.247 1.111 ( 4.368 2.721 -1.028) 5.247 1.321 ( 1.220 -1.988 -4.805) 5.341 1.321 ( 1.220 1.988 -4.805) 5.341 1.573 ( 1.265 -3.154 -2.433) 4.180 1.573 ( 1.265 3.154 -2.433) 4.180 1.655 ( 0.318 -7.161 4.710) 8.577 1.655 ( 0.318 7.161 4.710) 8.577 1.769 ( -0.106 -5.009 -0.430) 5.028 1.769 ( -0.106 5.009 -0.430) 5.028 1.848 ( -0.895 -4.049 -0.451) 4.172 1.848 ( -0.895 4.049 -0.451) 4.172 1.992 ( -0.706 -4.295 1.411) 4.575 1.992 ( -0.706 4.295 1.411) 4.575 2.061 ( 0.562 -2.459 -0.340) 2.545 2.061 ( 0.562 2.459 -0.340) 2.545 2.156 ( -0.351 -3.774 1.832) 4.210 2.156 ( -0.351 3.774 1.832) 4.210 2.251 ( -1.258 -2.724 3.660) 4.733 2.251 ( -1.258 2.724 3.660) 4.733 2.375 ( 0.077 -2.532 -2.271) 3.402 2.375 ( 0.077 2.532 -2.271) 3.402 2.645 ( 1.453 -2.053 -0.668) 2.602 2.645 ( 1.453 2.053 -0.668) 2.602 2.687 ( 1.709 -2.086 -0.216) 2.705 2.687 ( 1.709 2.086 -0.216) 2.705 2.912 ( 3.462 -2.858 -0.355) 4.504 2.912 ( 3.462 2.858 -0.355) 4.504 3.123 ( 1.832 -1.016 -0.148) 2.100 3.123 ( 1.832 1.016 -0.148) 2.100 3.354 ( 2.757 -1.473 -5.487) 6.315 3.354 ( 2.757 1.473 -5.487) 6.315 3.483 ( -3.365 -0.692 5.838) 6.773 3.483 ( -3.365 0.692 5.838) 6.773 3.888 ( -1.198 -1.370 0.288) 1.842 3.888 ( -1.198 1.370 0.288) 1.842 4.137 ( 0.157 -2.238 0.152) 2.249 4.137 ( 0.157 2.238 0.152) 2.249 4.294 ( -1.346 -1.584 -0.052) 2.079 4.294 ( -1.346 1.584 -0.052) 2.079 4.859 ( 2.256 -0.976 1.521) 2.891 4.859 ( 2.256 0.976 1.521) 2.891 4.961 ( 0.420 -2.872 -1.578) 3.304 4.961 ( 0.420 2.872 -1.578) 3.304 5.669 ( 0.219 -0.689 0.210) 0.752 5.669 ( 0.219 0.689 0.210) 0.752 5.770 ( -0.649 -0.431 0.009) 0.779 5.770 ( -0.649 0.431 0.009) 0.779 6.661 ( -3.336 -4.270 1.139) 5.537 6.661 ( -3.336 4.270 1.139) 5.537 6.877 ( -4.932 -1.807 -3.214) 6.158 6.877 ( -4.932 1.807 -3.214) 6.158 7.613 ( -0.264 -0.307 -1.334) 1.394 7.613 ( -0.264 0.307 -1.334) 1.394 7.658 ( 0.219 -0.804 -1.523) 1.736 7.658 ( 0.219 0.804 -1.523) 1.736 ======================= Grid point 33 (19/84) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.966 -3.759 -1.936) 4.337 0.916 ( -0.966 3.759 -1.936) 4.337 0.975 ( 1.838 -2.461 -1.353) 3.356 0.975 ( 1.838 2.461 -1.353) 3.356 1.206 ( 5.209 -2.333 0.931) 5.783 1.206 ( 5.209 2.334 0.931) 5.783 1.305 ( 1.268 -2.685 -2.715) 4.023 1.305 ( 1.268 2.685 -2.715) 4.023 1.508 ( -2.992 -3.845 -4.301) 6.498 1.508 ( -2.992 3.845 -4.301) 6.498 1.662 ( -1.273 -10.477 -0.454) 10.564 1.662 ( -1.273 10.477 -0.454) 10.564 1.765 ( 0.147 -1.472 0.510) 1.565 1.765 ( 0.147 1.472 0.510) 1.565 1.855 ( -0.561 -5.635 -0.903) 5.734 1.855 ( -0.561 5.635 -0.903) 5.734 1.972 ( -1.295 -0.504 1.137) 1.795 1.972 ( -1.295 0.504 1.137) 1.795 2.139 ( 4.254 -1.910 2.919) 5.502 2.139 ( 4.254 1.910 2.919) 5.502 2.189 ( 1.708 -1.655 3.731) 4.424 2.189 ( 1.708 1.655 3.731) 4.424 2.285 ( 0.845 -0.717 4.162) 4.307 2.285 ( 0.845 0.717 4.162) 4.307 2.373 ( 0.453 -0.673 -0.434) 0.919 2.373 ( 0.453 0.673 -0.434) 0.919 2.644 ( 0.652 -2.261 -3.240) 4.004 2.644 ( 0.652 2.261 -3.240) 4.004 2.691 ( -1.308 -1.139 0.282) 1.757 2.691 ( -1.308 1.139 0.282) 1.757 2.951 ( 1.945 -2.495 -1.095) 3.348 2.951 ( 1.945 2.495 -1.095) 3.348 3.147 ( 1.039 -0.451 -0.317) 1.176 3.147 ( 1.039 0.451 -0.317) 1.176 3.357 ( 1.907 -1.115 -2.989) 3.717 3.357 ( 1.907 1.115 -2.989) 3.717 3.477 ( -2.235 -1.765 3.775) 4.729 3.477 ( -2.235 1.765 3.775) 4.729 3.872 ( -0.748 -1.906 0.153) 2.053 3.872 ( -0.748 1.906 0.153) 2.053 4.135 ( -0.142 -2.130 -0.330) 2.160 4.135 ( -0.142 2.130 -0.330) 2.160 4.273 ( -1.007 -2.059 0.120) 2.296 4.273 ( -1.007 2.059 0.120) 2.296 4.878 ( 0.075 -2.933 -0.682) 3.012 4.878 ( 0.075 2.933 -0.682) 3.012 4.983 ( 1.824 -1.183 0.516) 2.234 4.983 ( 1.824 1.183 0.516) 2.234 5.674 ( 0.092 -0.927 0.072) 0.934 5.674 ( 0.092 0.927 0.072) 0.934 5.761 ( -0.366 -0.227 0.178) 0.466 5.761 ( -0.366 0.227 0.178) 0.466 6.595 ( -3.071 -4.628 -0.858) 5.620 6.595 ( -3.071 4.628 -0.858) 5.620 6.818 ( -1.308 -2.756 0.565) 3.102 6.818 ( -1.308 2.756 0.565) 3.102 7.587 ( -0.426 -0.108 -1.297) 1.369 7.587 ( -0.426 0.108 -1.297) 1.369 7.663 ( 0.554 -1.050 -0.462) 1.274 7.663 ( 0.554 1.050 -0.462) 1.274 ======================= Grid point 35 (20/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 -2.537 0.000) 2.537 0.903 ( -0.000 2.537 -0.000) 2.537 0.970 ( 0.000 -3.462 0.000) 3.462 0.970 ( 0.000 3.462 0.000) 3.462 1.266 ( 0.000 -3.142 0.000) 3.142 1.266 ( 0.000 3.142 0.000) 3.142 1.306 ( 0.000 -1.201 -0.000) 1.201 1.306 ( -0.000 1.201 -0.000) 1.201 1.446 ( 0.000 -3.508 -0.000) 3.508 1.446 ( 0.000 3.508 -0.000) 3.508 1.647 ( 0.000 -11.496 -0.000) 11.496 1.647 ( 0.000 11.496 -0.000) 11.496 1.775 ( 0.000 -2.236 -0.000) 2.236 1.775 ( 0.000 2.236 -0.000) 2.236 1.834 ( -0.000 -3.736 -0.000) 3.736 1.834 ( -0.000 3.736 -0.000) 3.736 1.967 ( 0.000 -0.299 -0.000) 0.299 1.967 ( 0.000 0.299 -0.000) 0.299 2.173 ( 0.000 -0.407 -0.000) 0.407 2.173 ( 0.000 0.407 -0.000) 0.407 2.271 ( 0.000 -0.092 0.000) 0.092 2.271 ( 0.000 0.092 -0.000) 0.092 2.313 ( 0.000 -0.668 -0.000) 0.668 2.313 ( 0.000 0.668 0.000) 0.668 2.374 ( -0.000 -1.142 -0.000) 1.142 2.374 ( 0.000 1.142 -0.000) 1.142 2.629 ( 0.000 -0.178 0.000) 0.178 2.629 ( 0.000 0.178 -0.000) 0.178 2.670 ( 0.000 -0.259 -0.000) 0.259 2.670 ( 0.000 0.259 -0.000) 0.259 2.963 ( 0.000 -2.348 -0.000) 2.348 2.963 ( 0.000 2.348 -0.000) 2.348 3.155 ( 0.000 -0.137 -0.000) 0.137 3.155 ( 0.000 0.137 -0.000) 0.137 3.360 ( 0.000 -0.609 -0.000) 0.609 3.360 ( 0.000 0.609 -0.000) 0.609 3.475 ( 0.000 -2.028 0.000) 2.028 3.475 ( -0.000 2.028 0.000) 2.028 3.866 ( 0.000 -2.203 -0.000) 2.203 3.866 ( 0.000 2.203 -0.000) 2.203 4.131 ( 0.000 -1.659 -0.000) 1.659 4.131 ( 0.000 1.659 -0.000) 1.659 4.264 ( 0.000 -2.328 0.000) 2.328 4.264 ( 0.000 2.328 0.000) 2.328 4.873 ( 0.000 -3.418 -0.000) 3.418 4.873 ( 0.000 3.418 -0.000) 3.418 5.004 ( 0.000 -0.859 -0.000) 0.859 5.004 ( 0.000 0.859 -0.000) 0.859 5.674 ( 0.000 -0.971 -0.000) 0.971 5.674 ( 0.000 0.971 -0.000) 0.971 5.759 ( 0.000 -0.241 0.000) 0.241 5.759 ( 0.000 0.241 0.000) 0.241 6.562 ( 0.000 -4.262 0.000) 4.262 6.562 ( 0.000 4.262 -0.000) 4.262 6.812 ( 0.000 -3.558 -0.000) 3.558 6.812 ( 0.000 3.558 -0.000) 3.558 7.578 ( 0.000 -0.338 -0.000) 0.338 7.578 ( 0.000 0.338 -0.000) 0.338 7.665 ( 0.000 -1.488 -0.000) 1.488 7.665 ( 0.000 1.488 0.000) 1.488 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( 5.704 0.000 11.921) 13.215 0.275 ( 5.424 0.000 13.555) 14.601 0.439 ( 12.581 0.000 21.169) 24.625 0.685 ( -0.208 0.000 0.586) 0.621 0.891 ( 2.074 0.000 -1.743) 2.709 0.996 ( 3.182 0.000 1.361) 3.461 1.107 ( -3.960 0.000 -2.500) 4.683 1.177 ( -0.870 0.000 -0.340) 0.934 1.292 ( -4.301 0.000 -2.244) 4.852 1.383 ( 2.291 0.000 -2.484) 3.379 1.540 ( -3.847 0.000 2.476) 4.575 1.576 ( -0.263 0.000 -5.662) 5.668 1.627 ( 1.260 0.000 -1.180) 1.726 1.648 ( 2.700 0.000 3.814) 4.673 1.724 ( -0.153 0.000 0.450) 0.475 1.875 ( 1.871 0.000 2.061) 2.783 1.990 ( -0.972 0.000 1.398) 1.703 2.021 ( -0.658 0.000 -0.355) 0.748 2.029 ( -3.858 0.000 -3.068) 4.929 2.155 ( 1.266 0.000 -0.242) 1.289 2.168 ( 1.975 0.000 0.858) 2.153 2.210 ( -1.403 0.000 -2.223) 2.629 2.407 ( 1.310 0.000 2.703) 3.004 2.408 ( -4.161 0.000 -4.303) 5.986 2.433 ( 5.021 0.000 -0.898) 5.100 2.532 ( 0.594 0.000 -3.415) 3.466 2.619 ( 3.333 0.000 2.563) 4.204 2.706 ( -0.041 0.000 3.532) 3.532 2.723 ( -4.367 0.000 -3.161) 5.391 2.811 ( 0.214 0.000 2.504) 2.513 2.882 ( 8.829 0.000 2.137) 9.084 2.953 ( -4.121 0.000 -3.844) 5.636 3.123 ( -1.409 0.000 0.010) 1.409 3.169 ( -0.439 0.000 -1.948) 1.997 3.317 ( 3.612 0.000 -3.807) 5.248 3.346 ( -6.478 0.000 -4.901) 8.123 3.592 ( -3.288 0.000 6.459) 7.248 3.616 ( -1.793 0.000 5.430) 5.719 3.836 ( 0.879 0.000 -0.317) 0.934 3.882 ( 1.288 0.000 -0.926) 1.587 4.141 ( 0.290 0.000 1.041) 1.080 4.228 ( -0.482 0.000 0.624) 0.789 4.309 ( 0.764 0.000 0.682) 1.025 4.358 ( 3.506 0.000 -1.029) 3.654 4.770 ( 0.502 0.000 0.773) 0.922 4.833 ( 0.119 0.000 3.905) 3.907 4.906 ( -1.170 0.000 -1.702) 2.066 5.128 ( -0.236 0.000 -2.991) 3.000 5.648 ( 0.392 0.000 0.203) 0.441 5.662 ( -0.507 0.000 -0.067) 0.512 5.772 ( 1.565 0.000 0.046) 1.566 5.806 ( -0.463 0.000 -0.709) 0.847 6.350 ( -2.202 0.000 -0.395) 2.237 6.392 ( 6.862 0.000 -2.199) 7.206 6.822 ( 1.212 0.000 6.483) 6.595 7.274 ( -2.500 0.000 -4.960) 5.554 7.557 ( 0.536 0.000 -0.150) 0.557 7.581 ( 1.487 0.000 1.579) 2.169 7.593 ( -1.937 0.000 -1.136) 2.246 7.652 ( -0.786 0.000 -0.243) 0.823 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 9.440 0.000 9.471) 13.372 0.483 ( 4.081 0.000 11.219) 11.938 0.773 ( 9.350 0.000 -2.722) 9.738 0.885 ( 1.719 0.000 -8.441) 8.614 0.930 ( 17.413 0.000 15.496) 23.310 0.956 ( -5.620 0.000 -5.567) 7.910 1.138 ( 7.399 0.000 4.348) 8.582 1.144 ( -1.096 0.000 -3.552) 3.717 1.237 ( -0.335 0.000 0.874) 0.936 1.401 ( 0.599 0.000 -3.648) 3.696 1.472 ( -3.141 0.000 0.349) 3.160 1.489 ( -1.110 0.000 -3.170) 3.358 1.612 ( -0.493 0.000 -2.399) 2.449 1.644 ( -4.875 0.000 -0.329) 4.886 1.857 ( 8.358 0.000 5.966) 10.269 1.922 ( -2.825 0.000 -3.387) 4.410 1.939 ( 1.882 0.000 1.587) 2.461 2.003 ( -1.000 0.000 2.778) 2.952 2.017 ( 1.178 0.000 -1.122) 1.627 2.121 ( -4.953 0.000 -4.149) 6.461 2.162 ( -0.548 0.000 1.243) 1.359 2.210 ( 1.069 0.000 -0.208) 1.090 2.317 ( -1.806 0.000 -0.383) 1.846 2.408 ( -3.501 0.000 -2.506) 4.305 2.494 ( 3.780 0.000 -1.752) 4.166 2.517 ( 0.595 0.000 -2.719) 2.783 2.640 ( -1.978 0.000 2.362) 3.081 2.679 ( 0.251 0.000 2.775) 2.786 2.759 ( 3.058 0.000 2.046) 3.679 2.824 ( -4.715 0.000 -1.639) 4.992 2.854 ( 1.519 0.000 2.545) 2.964 2.979 ( 4.218 0.000 -1.716) 4.554 3.100 ( -0.223 0.000 -1.063) 1.086 3.197 ( 1.589 0.000 -0.389) 1.636 3.259 ( 0.751 0.000 -4.884) 4.941 3.355 ( 3.739 0.000 -2.848) 4.700 3.598 ( -2.809 0.000 6.934) 7.481 3.619 ( -3.605 0.000 5.413) 6.504 3.833 ( -0.887 0.000 -0.570) 1.055 3.891 ( 0.900 0.000 -1.329) 1.605 4.149 ( -0.747 0.000 1.574) 1.742 4.201 ( -2.367 0.000 0.316) 2.388 4.328 ( 0.233 0.000 1.187) 1.210 4.340 ( -1.859 0.000 -2.743) 3.314 4.822 ( 3.072 0.000 2.477) 3.946 4.858 ( -1.642 0.000 -2.759) 3.211 4.897 ( 2.175 0.000 4.487) 4.987 5.091 ( -0.115 0.000 -4.046) 4.048 5.650 ( -0.592 0.000 -0.367) 0.696 5.659 ( 0.399 0.000 0.649) 0.762 5.786 ( -0.829 0.000 -1.246) 1.496 5.792 ( 0.817 0.000 0.116) 0.825 6.314 ( -0.467 0.000 -1.571) 1.639 6.495 ( 7.203 0.000 -3.287) 7.918 6.908 ( 0.235 0.000 8.186) 8.190 7.142 ( -5.515 0.000 -6.164) 8.271 7.564 ( -0.489 0.000 -0.595) 0.770 7.567 ( 0.656 0.000 0.133) 0.669 7.634 ( -0.690 0.000 -1.050) 1.256 7.634 ( 2.129 0.000 1.464) 2.584 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.819 0.000 8.596) 8.635 0.696 ( 7.111 0.000 1.271) 7.224 0.734 ( 0.650 0.000 -14.223) 14.238 0.836 ( 3.802 0.000 -5.947) 7.059 1.002 ( 8.606 0.000 0.379) 8.615 1.094 ( 0.669 0.000 -4.164) 4.217 1.225 ( 5.973 0.000 2.021) 6.305 1.272 ( 0.771 0.000 2.035) 2.176 1.276 ( -2.234 0.000 -3.524) 4.172 1.324 ( 3.305 0.000 2.599) 4.205 1.489 ( 1.191 0.000 -0.332) 1.237 1.491 ( -3.327 0.000 0.082) 3.328 1.589 ( 0.734 0.000 -0.130) 0.745 1.595 ( 3.664 0.000 5.222) 6.379 1.857 ( 0.896 0.000 -3.154) 3.279 1.945 ( -2.983 0.000 -1.824) 3.497 1.977 ( -1.120 0.000 2.524) 2.761 2.008 ( 0.702 0.000 -3.121) 3.199 2.009 ( -1.293 0.000 2.741) 3.031 2.087 ( 2.676 0.000 2.853) 3.912 2.189 ( -0.147 0.000 -2.555) 2.560 2.191 ( 2.847 0.000 3.588) 4.580 2.287 ( -4.575 0.000 -2.492) 5.209 2.338 ( 1.046 0.000 2.081) 2.329 2.505 ( 0.929 0.000 -1.606) 1.855 2.549 ( 2.988 0.000 0.164) 2.992 2.664 ( -0.643 0.000 1.359) 1.503 2.666 ( -3.549 0.000 0.281) 3.560 2.749 ( -1.410 0.000 -1.503) 2.061 2.842 ( 3.732 0.000 1.774) 4.132 2.899 ( 1.395 0.000 1.554) 2.089 3.043 ( 4.991 0.000 -2.141) 5.431 3.107 ( 1.621 0.000 -0.265) 1.642 3.170 ( -1.454 0.000 -2.600) 2.979 3.268 ( 2.825 0.000 -2.990) 4.114 3.385 ( 1.974 0.000 -1.791) 2.666 3.588 ( -5.343 0.000 5.140) 7.414 3.621 ( -2.126 0.000 6.446) 6.787 3.796 ( -1.808 0.000 -1.486) 2.341 3.892 ( 1.055 0.000 -1.997) 2.259 4.142 ( -1.376 0.000 0.915) 1.653 4.162 ( -2.094 0.000 -0.146) 2.099 4.277 ( -2.317 0.000 -1.791) 2.928 4.333 ( -0.689 0.000 0.733) 1.006 4.806 ( -1.197 0.000 -2.267) 2.564 4.901 ( 3.051 0.000 1.908) 3.598 4.976 ( 1.906 0.000 3.835) 4.282 5.055 ( 0.501 0.000 -3.794) 3.827 5.636 ( -0.532 0.000 -0.407) 0.670 5.678 ( 0.895 0.000 1.193) 1.491 5.755 ( -1.160 0.000 -1.568) 1.950 5.806 ( 0.526 0.000 0.291) 0.601 6.317 ( 2.183 0.000 -0.575) 2.257 6.584 ( 5.851 0.000 -2.820) 6.495 6.973 ( -1.339 0.000 7.525) 7.643 6.990 ( -4.899 0.000 -5.335) 7.243 7.562 ( 0.519 0.000 -0.208) 0.560 7.581 ( 0.510 0.000 0.427) 0.665 7.610 ( -0.625 0.000 -1.312) 1.453 7.674 ( 1.179 0.000 0.769) 1.408 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -2.186 0.000 5.607) 6.018 0.720 ( 4.839 0.000 -8.449) 9.736 0.729 ( 8.704 0.000 -3.294) 9.307 0.920 ( 2.046 0.000 4.905) 5.315 1.102 ( 2.863 0.000 -6.463) 7.068 1.130 ( 5.121 0.000 -3.398) 6.146 1.185 ( -0.705 0.000 2.001) 2.121 1.231 ( -0.990 0.000 -1.252) 1.596 1.327 ( 2.670 0.000 1.388) 3.009 1.416 ( -4.650 0.000 3.133) 5.607 1.423 ( 1.004 0.000 1.719) 1.991 1.456 ( -0.126 0.000 -1.553) 1.558 1.665 ( 4.886 0.000 1.596) 5.140 1.680 ( 0.739 0.000 -0.347) 0.816 1.873 ( -0.512 0.000 -0.283) 0.585 1.947 ( 0.316 0.000 4.051) 4.063 1.950 ( -1.486 0.000 -0.109) 1.490 2.003 ( 2.434 0.000 -2.414) 3.428 2.015 ( 0.252 0.000 1.055) 1.085 2.093 ( -2.240 0.000 -0.331) 2.264 2.184 ( 1.101 0.000 0.015) 1.101 2.212 ( 0.494 0.000 -0.595) 0.773 2.317 ( 1.570 0.000 3.002) 3.388 2.354 ( 0.300 0.000 -0.809) 0.863 2.505 ( -3.706 0.000 0.715) 3.775 2.570 ( -1.693 0.000 -5.079) 5.354 2.601 ( 1.029 0.000 -2.125) 2.361 2.615 ( 0.860 0.000 0.130) 0.870 2.768 ( 0.883 0.000 2.902) 3.034 2.896 ( 0.090 0.000 1.924) 1.926 2.940 ( 2.098 0.000 0.305) 2.120 3.091 ( 3.169 0.000 -5.091) 5.997 3.136 ( 0.947 0.000 0.877) 1.291 3.151 ( 1.405 0.000 1.339) 1.941 3.280 ( 1.643 0.000 -2.893) 3.328 3.388 ( 0.669 0.000 -2.662) 2.745 3.535 ( -5.627 0.000 5.058) 7.566 3.625 ( -3.468 0.000 4.565) 5.733 3.759 ( -0.387 0.000 -1.616) 1.662 3.890 ( 1.126 0.000 -2.581) 2.815 4.122 ( -1.010 0.000 -0.315) 1.058 4.126 ( -1.255 0.000 -1.078) 1.654 4.239 ( -0.854 0.000 0.144) 0.867 4.321 ( -0.877 0.000 -0.146) 0.889 4.782 ( 0.075 0.000 -0.371) 0.379 4.949 ( 1.107 0.000 -0.106) 1.112 5.028 ( 0.295 0.000 2.783) 2.799 5.045 ( 1.497 0.000 -2.029) 2.521 5.626 ( -0.176 0.000 -0.211) 0.275 5.711 ( 0.914 0.000 0.285) 0.957 5.718 ( -0.871 0.000 -0.317) 0.927 5.815 ( 0.138 0.000 0.124) 0.186 6.375 ( 2.849 0.000 2.288) 3.654 6.642 ( 3.628 0.000 -2.662) 4.500 6.889 ( -1.562 0.000 -2.987) 3.371 6.993 ( -2.956 0.000 4.144) 5.090 7.573 ( 0.574 0.000 0.113) 0.585 7.590 ( 0.040 0.000 0.310) 0.312 7.595 ( 0.093 0.000 -0.265) 0.281 7.690 ( 0.252 0.000 0.083) 0.265 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -6.034 0.000 3.464) 6.958 0.771 ( 5.223 0.000 -2.361) 5.732 0.915 ( 5.639 0.000 4.646) 7.306 0.989 ( 0.965 0.000 2.907) 3.063 1.067 ( 3.926 0.000 -2.214) 4.507 1.130 ( 2.736 0.000 -1.599) 3.169 1.252 ( 2.422 0.000 3.361) 4.143 1.270 ( -0.513 0.000 -0.374) 0.635 1.304 ( -1.666 0.000 0.517) 1.745 1.377 ( -2.349 0.000 -2.779) 3.639 1.432 ( -0.981 0.000 5.057) 5.151 1.503 ( 1.292 0.000 2.022) 2.399 1.691 ( 0.764 0.000 0.199) 0.790 1.723 ( -0.761 0.000 0.795) 1.101 1.828 ( -0.857 0.000 -0.067) 0.860 1.915 ( -2.812 0.000 -1.270) 3.086 1.927 ( -0.296 0.000 -3.107) 3.122 2.018 ( -1.186 0.000 0.560) 1.312 2.054 ( 1.534 0.000 -0.048) 1.535 2.060 ( -0.570 0.000 1.074) 1.216 2.194 ( -4.135 0.000 -5.174) 6.623 2.237 ( 2.160 0.000 3.448) 4.069 2.282 ( -1.290 0.000 -0.479) 1.376 2.349 ( 1.406 0.000 -3.054) 3.362 2.406 ( -3.679 0.000 -2.508) 4.453 2.509 ( 1.133 0.000 -4.835) 4.966 2.653 ( 0.320 0.000 1.274) 1.313 2.655 ( 2.776 0.000 1.479) 3.146 2.808 ( 0.082 0.000 3.818) 3.818 2.888 ( -2.537 0.000 1.057) 2.748 2.962 ( 0.031 0.000 -0.034) 0.046 3.102 ( 2.671 0.000 -2.759) 3.840 3.154 ( 0.153 0.000 1.272) 1.281 3.193 ( 0.576 0.000 1.316) 1.436 3.288 ( 3.337 0.000 -3.727) 5.003 3.367 ( 0.909 0.000 -4.377) 4.470 3.495 ( -4.308 0.000 5.470) 6.963 3.595 ( -3.501 0.000 3.225) 4.760 3.750 ( 0.766 0.000 -1.285) 1.496 3.882 ( 0.963 0.000 -3.117) 3.262 4.103 ( 0.082 0.000 -1.077) 1.080 4.104 ( -0.351 0.000 -0.872) 0.940 4.248 ( 0.957 0.000 1.298) 1.613 4.305 ( -0.394 0.000 -0.726) 0.826 4.803 ( 1.446 0.000 1.630) 2.179 4.936 ( -1.372 0.000 -2.016) 2.439 5.033 ( -1.950 0.000 1.372) 2.384 5.070 ( 2.243 0.000 0.049) 2.244 5.627 ( 0.384 0.000 0.152) 0.414 5.677 ( -1.119 0.000 -1.685) 2.023 5.753 ( 1.201 0.000 1.758) 2.129 5.812 ( -0.317 0.000 -0.287) 0.427 6.431 ( -0.414 0.000 3.827) 3.849 6.670 ( 2.403 0.000 -2.260) 3.299 6.895 ( 3.650 0.000 0.403) 3.673 6.939 ( -5.210 0.000 -0.058) 5.210 7.580 ( 0.079 0.000 0.191) 0.207 7.589 ( -0.246 0.000 0.039) 0.249 7.610 ( 0.883 0.000 1.188) 1.480 7.686 ( -0.444 0.000 -0.600) 0.746 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -9.447 0.000 -1.997) 9.656 0.743 ( -7.287 0.000 -0.920) 7.345 0.930 ( -1.552 0.000 -1.214) 1.970 1.059 ( 4.578 0.000 1.442) 4.800 1.164 ( -8.822 0.000 -7.733) 11.732 1.189 ( -0.042 0.000 6.231) 6.231 1.215 ( 2.961 0.000 2.557) 3.912 1.262 ( -3.528 0.000 0.717) 3.600 1.273 ( -4.652 0.000 -2.872) 5.467 1.325 ( 2.447 0.000 0.857) 2.593 1.441 ( 0.069 0.000 2.409) 2.410 1.510 ( -0.353 0.000 0.026) 0.354 1.664 ( -4.989 0.000 2.338) 5.509 1.721 ( -2.513 0.000 5.085) 5.673 1.848 ( 2.487 0.000 0.159) 2.492 1.885 ( 0.141 0.000 -3.765) 3.767 1.905 ( 1.124 0.000 -1.805) 2.126 2.010 ( -3.245 0.000 -7.151) 7.852 2.024 ( 0.331 0.000 2.981) 3.000 2.056 ( -0.375 0.000 -0.034) 0.377 2.092 ( 2.128 0.000 1.721) 2.737 2.275 ( -0.986 0.000 1.819) 2.069 2.310 ( -1.742 0.000 -0.430) 1.794 2.341 ( 3.851 0.000 2.846) 4.789 2.413 ( 6.032 0.000 -4.127) 7.309 2.484 ( 1.157 0.000 -4.737) 4.876 2.627 ( -3.197 0.000 -0.442) 3.227 2.695 ( -0.026 0.000 1.664) 1.665 2.827 ( -4.465 0.000 -0.480) 4.490 2.835 ( -1.251 0.000 3.409) 3.632 2.936 ( -2.669 0.000 -0.520) 2.719 3.106 ( -0.720 0.000 -1.028) 1.255 3.168 ( -0.614 0.000 1.890) 1.987 3.212 ( 0.958 0.000 0.602) 1.132 3.314 ( 3.659 0.000 -5.401) 6.524 3.345 ( 2.121 0.000 -5.477) 5.873 3.491 ( -2.217 0.000 6.248) 6.630 3.569 ( -3.247 0.000 4.175) 5.289 3.762 ( 1.900 0.000 -1.378) 2.347 3.868 ( 0.943 0.000 -3.196) 3.332 4.094 ( 0.231 0.000 -0.980) 1.006 4.112 ( 1.650 0.000 -0.299) 1.677 4.288 ( 2.042 0.000 0.936) 2.246 4.294 ( 0.122 0.000 -1.042) 1.049 4.855 ( 1.891 0.000 2.483) 3.121 4.874 ( -2.755 0.000 -2.682) 3.844 4.985 ( -4.135 0.000 0.114) 4.137 5.114 ( 1.945 0.000 0.816) 2.109 5.641 ( 0.716 0.000 0.547) 0.901 5.649 ( -0.510 0.000 -1.204) 1.307 5.787 ( 0.867 0.000 1.349) 1.603 5.800 ( -0.483 0.000 -0.732) 0.877 6.435 ( -2.692 0.000 3.814) 4.668 6.691 ( 2.064 0.000 -1.692) 2.669 6.821 ( -6.323 0.000 -2.335) 6.740 7.008 ( 6.786 0.000 2.609) 7.270 7.580 ( -0.266 0.000 0.433) 0.508 7.583 ( -0.384 0.000 -0.070) 0.391 7.639 ( 0.743 0.000 1.415) 1.598 7.663 ( -1.150 0.000 -1.244) 1.694 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( -9.909 0.000 -4.882) 11.047 0.559 ( -13.127 0.000 3.074) 13.482 0.780 ( -19.860 0.000 -14.964) 24.866 0.860 ( -5.518 0.000 -0.829) 5.580 1.058 ( -5.530 0.000 -2.920) 6.254 1.116 ( -5.921 0.000 -2.582) 6.460 1.192 ( -4.609 0.000 2.873) 5.431 1.223 ( -1.158 0.000 -0.360) 1.213 1.280 ( 1.692 0.000 4.687) 4.983 1.378 ( 2.583 0.000 -1.213) 2.854 1.505 ( 4.088 0.000 -0.798) 4.165 1.524 ( 0.012 0.000 2.977) 2.977 1.638 ( -0.413 0.000 5.449) 5.465 1.678 ( -3.754 0.000 -1.497) 4.041 1.783 ( -5.048 0.000 -5.495) 7.462 1.838 ( 0.018 0.000 -2.380) 2.380 1.950 ( 2.673 0.000 4.336) 5.093 2.044 ( 0.674 0.000 -1.658) 1.790 2.058 ( 0.371 0.000 3.065) 3.088 2.065 ( 4.912 0.000 -0.288) 4.920 2.158 ( 2.118 0.000 3.210) 3.845 2.244 ( -3.028 0.000 -0.671) 3.101 2.346 ( 3.688 0.000 3.528) 5.104 2.361 ( -0.999 0.000 -3.204) 3.356 2.483 ( 5.417 0.000 -3.322) 6.354 2.521 ( 4.563 0.000 -0.537) 4.594 2.551 ( -3.809 0.000 -2.406) 4.505 2.689 ( -1.636 0.000 0.272) 1.659 2.732 ( -5.228 0.000 -0.562) 5.259 2.828 ( -2.190 0.000 2.655) 3.442 2.867 ( -3.867 0.000 -0.747) 3.939 3.067 ( -2.708 0.000 -0.123) 2.711 3.158 ( -1.835 0.000 1.250) 2.220 3.229 ( 0.406 0.000 1.118) 1.190 3.306 ( 1.822 0.000 -5.785) 6.065 3.335 ( 2.189 0.000 -5.771) 6.173 3.530 ( -0.288 0.000 6.076) 6.083 3.564 ( -2.726 0.000 6.328) 6.890 3.788 ( 2.381 0.000 -1.500) 2.814 3.861 ( 1.275 0.000 -2.401) 2.719 4.098 ( 1.108 0.000 -0.451) 1.196 4.152 ( 2.667 0.000 0.058) 2.668 4.290 ( 0.453 0.000 -0.973) 1.073 4.326 ( 1.852 0.000 -1.094) 2.151 4.803 ( -2.495 0.000 -1.826) 3.092 4.900 ( -5.081 0.000 -0.051) 5.082 4.905 ( 1.179 0.000 1.846) 2.190 5.146 ( 0.984 0.000 0.110) 0.990 5.638 ( 0.188 0.000 -0.636) 0.663 5.659 ( 0.443 0.000 0.755) 0.876 5.784 ( -0.214 0.000 -1.195) 1.214 5.808 ( 0.430 0.000 0.728) 0.845 6.417 ( -2.936 0.000 3.210) 4.350 6.681 ( -3.647 0.000 -7.188) 8.061 6.718 ( -0.008 0.000 2.238) 2.238 7.160 ( 7.187 0.000 2.424) 7.584 7.574 ( -0.480 0.000 -0.136) 0.499 7.584 ( 0.016 0.000 1.144) 1.144 7.621 ( -1.998 0.000 -1.727) 2.641 7.658 ( 0.092 0.000 1.061) 1.065 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.131 ( -4.735 0.000 5.627) 7.354 0.243 ( -22.814 0.000 -14.291) 26.921 0.379 ( -13.736 0.000 11.135) 17.682 0.747 ( -6.819 0.000 1.891) 7.076 0.919 ( -3.967 0.000 -2.924) 4.928 1.003 ( -3.133 0.000 -2.515) 4.018 1.157 ( -1.854 0.000 1.074) 2.143 1.198 ( -1.411 0.000 0.261) 1.435 1.346 ( -0.311 0.000 2.898) 2.915 1.387 ( 0.967 0.000 -3.253) 3.393 1.546 ( 3.349 0.000 -3.455) 4.811 1.551 ( -1.254 0.000 4.413) 4.587 1.616 ( -0.199 0.000 -1.806) 1.817 1.666 ( -1.435 0.000 -1.663) 2.197 1.714 ( 0.197 0.000 2.918) 2.924 1.838 ( 1.143 0.000 0.089) 1.146 1.988 ( -0.836 0.000 2.204) 2.357 2.030 ( -0.235 0.000 -0.106) 0.258 2.107 ( 0.072 0.000 2.584) 2.585 2.111 ( 1.541 0.000 -0.224) 1.558 2.159 ( -3.447 0.000 -2.431) 4.218 2.208 ( 1.883 0.000 0.257) 1.901 2.345 ( 0.005 0.000 3.776) 3.776 2.413 ( -4.495 0.000 -5.150) 6.836 2.449 ( 3.218 0.000 1.110) 3.404 2.535 ( 3.948 0.000 -2.445) 4.643 2.605 ( -4.243 0.000 -3.724) 5.645 2.610 ( 6.197 0.000 6.701) 9.127 2.690 ( -2.039 0.000 3.854) 4.360 2.808 ( -2.539 0.000 -0.259) 2.552 2.811 ( -2.272 0.000 1.154) 2.548 3.018 ( -2.320 0.000 -0.606) 2.397 3.141 ( -1.218 0.000 0.912) 1.521 3.231 ( 0.088 0.000 -5.318) 5.318 3.313 ( 1.627 0.000 -5.155) 5.405 3.374 ( 7.819 0.000 7.605) 10.907 3.578 ( -0.639 0.000 5.458) 5.495 3.583 ( -2.532 0.000 6.722) 7.183 3.815 ( 1.990 0.000 -0.982) 2.219 3.869 ( 1.438 0.000 -1.387) 1.998 4.120 ( 1.216 0.000 0.301) 1.252 4.190 ( 1.866 0.000 -1.173) 2.204 4.293 ( 0.690 0.000 -0.287) 0.747 4.312 ( -1.468 0.000 -1.510) 2.106 4.766 ( -0.301 0.000 0.117) 0.323 4.828 ( -3.117 0.000 1.952) 3.678 4.925 ( -0.063 0.000 0.159) 0.171 5.150 ( 0.178 0.000 -1.364) 1.376 5.640 ( 0.470 0.000 -0.188) 0.506 5.667 ( -0.193 0.000 0.524) 0.558 5.766 ( -0.490 0.000 -1.765) 1.831 5.815 ( -0.061 0.000 -0.018) 0.064 6.390 ( -2.784 0.000 1.632) 3.227 6.490 ( -8.505 0.000 -14.059) 16.431 6.756 ( 1.119 0.000 3.356) 3.537 7.283 ( 4.474 0.000 -0.392) 4.492 7.563 ( -0.751 0.000 -0.653) 0.995 7.572 ( -1.249 0.000 -0.414) 1.316 7.611 ( 1.377 0.000 1.246) 1.858 7.664 ( -0.390 0.000 0.798) 0.888 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 1.757 8.765 8.202) 12.131 0.450 ( 11.628 10.110 11.378) 19.154 0.704 ( 1.804 13.207 3.858) 13.877 0.735 ( 2.895 13.477 6.862) 15.398 0.933 ( 1.064 1.549 1.044) 2.150 1.026 ( 2.476 2.491 1.594) 3.857 1.114 ( -3.395 1.996 -5.539) 6.796 1.178 ( -1.611 -0.004 -1.780) 2.401 1.315 ( -2.449 3.007 -2.163) 4.440 1.392 ( 0.390 -0.667 -3.769) 3.848 1.492 ( 3.008 -0.373 2.014) 3.639 1.602 ( -0.834 3.104 0.298) 3.228 1.672 ( -0.442 2.477 1.120) 2.754 1.724 ( -1.823 5.631 -1.157) 6.031 1.768 ( 1.092 4.541 1.181) 4.817 1.896 ( 2.267 1.392 0.728) 2.758 1.997 ( -1.834 0.802 1.906) 2.764 2.025 ( -3.148 0.192 -1.863) 3.664 2.048 ( -1.005 1.825 -0.561) 2.158 2.122 ( 0.588 -2.038 0.002) 2.121 2.167 ( 2.400 -1.069 0.795) 2.745 2.193 ( -1.736 -0.653 -1.534) 2.407 2.358 ( 2.668 -4.911 2.772) 6.238 2.418 ( -3.128 0.344 -4.534) 5.519 2.435 ( 1.357 1.241 -0.090) 1.842 2.489 ( 0.550 -4.043 -2.571) 4.822 2.613 ( 2.537 -1.180 2.166) 3.539 2.658 ( -0.494 -3.527 4.095) 5.427 2.685 ( -2.234 -2.587 -1.181) 3.616 2.795 ( 2.416 -2.817 3.784) 5.301 2.825 ( 0.361 -6.642 -0.973) 6.722 2.887 ( -0.086 -1.894 1.704) 2.549 3.079 ( -0.227 -2.029 3.319) 3.897 3.121 ( -1.765 -0.565 0.279) 1.875 3.273 ( 0.780 -1.596 -4.430) 4.773 3.323 ( 3.292 -0.569 -4.928) 5.954 3.581 ( -2.458 -0.592 6.398) 6.879 3.606 ( -2.508 -0.260 6.090) 6.592 3.849 ( 1.337 0.895 -0.836) 1.813 3.892 ( 1.042 0.760 -0.960) 1.608 4.140 ( 0.423 -0.373 0.889) 1.052 4.184 ( 0.367 -1.758 -0.826) 1.977 4.316 ( -0.259 -0.276 1.572) 1.617 4.366 ( 0.622 -0.274 -0.294) 0.741 4.764 ( 1.249 0.038 1.443) 1.909 4.821 ( 0.592 -0.776 3.721) 3.847 4.907 ( -1.132 0.317 -1.621) 2.003 5.104 ( -0.427 -2.398 -2.845) 3.745 5.654 ( 0.398 0.501 0.180) 0.665 5.661 ( -0.422 -0.094 0.065) 0.437 5.769 ( 0.432 0.237 0.157) 0.517 5.803 ( -0.332 -0.316 -0.634) 0.782 6.433 ( 1.675 6.013 -0.654) 6.277 6.810 ( 1.009 -1.198 5.573) 5.789 6.969 ( -8.301 23.743 -31.499) 40.309 7.222 ( -2.597 -4.649 -4.743) 7.131 7.557 ( 0.977 0.344 0.045) 1.037 7.581 ( 1.573 -0.299 1.064) 1.922 7.591 ( 0.269 -0.285 -0.650) 0.759 7.677 ( -1.735 3.350 -3.219) 4.960 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 8.934 5.527 7.716) 13.034 0.716 ( 5.323 14.806 6.937) 17.195 0.801 ( 9.094 3.037 -1.588) 9.719 0.940 ( -3.201 0.603 -4.109) 5.243 0.958 ( 0.480 4.054 -4.045) 5.747 1.009 ( 9.671 7.943 8.411) 15.078 1.122 ( 3.833 0.317 0.817) 3.932 1.163 ( 2.472 1.599 -0.189) 2.950 1.247 ( -0.909 1.240 -1.356) 2.051 1.366 ( -0.201 -0.476 -3.819) 3.854 1.526 ( 0.834 5.535 0.928) 5.674 1.573 ( -1.709 4.955 -0.478) 5.263 1.651 ( -2.677 2.876 -2.062) 4.437 1.672 ( -2.941 3.527 -1.701) 4.897 1.860 ( 6.427 0.738 5.537) 8.515 1.947 ( -0.797 1.410 1.070) 1.941 1.948 ( 0.402 0.148 -2.142) 2.184 1.987 ( -0.223 0.282 0.975) 1.039 2.050 ( 0.438 2.289 0.752) 2.449 2.099 ( -4.366 -1.609 -2.836) 5.449 2.152 ( -0.245 -0.402 1.613) 1.681 2.202 ( 0.802 -1.370 -0.553) 1.681 2.315 ( -2.247 -0.037 -1.294) 2.594 2.404 ( -1.428 -1.069 -0.353) 1.818 2.455 ( 1.414 -3.323 -2.557) 4.425 2.488 ( 1.723 -2.664 -1.408) 3.471 2.585 ( -2.520 -3.740 1.690) 4.816 2.676 ( 0.346 -1.753 2.868) 3.379 2.752 ( 3.308 -0.172 2.477) 4.136 2.773 ( -0.973 -4.441 -2.824) 5.352 2.839 ( 0.610 -1.651 2.956) 3.440 2.960 ( 4.116 -2.046 -1.107) 4.728 3.092 ( -0.606 -0.846 -0.287) 1.079 3.140 ( 2.460 -2.827 1.189) 3.932 3.248 ( 1.826 -0.756 -4.874) 5.260 3.345 ( 3.621 -1.690 -4.113) 5.734 3.599 ( -2.472 -0.018 6.805) 7.240 3.609 ( -3.555 -0.247 5.902) 6.895 3.847 ( -0.554 1.029 -1.238) 1.702 3.897 ( 0.716 0.401 -1.331) 1.564 4.128 ( -1.681 -1.330 0.142) 2.149 4.195 ( 0.329 -0.843 0.502) 1.035 4.310 ( -1.457 -0.667 0.243) 1.621 4.355 ( -1.067 0.195 -0.170) 1.097 4.823 ( 2.715 0.101 2.139) 3.458 4.863 ( -0.968 0.672 -2.400) 2.674 4.890 ( 2.233 -0.772 4.417) 5.010 5.064 ( -0.281 -2.574 -3.953) 4.726 5.651 ( -0.510 0.185 -0.192) 0.576 5.665 ( 0.456 0.498 0.514) 0.849 5.777 ( -0.076 -0.511 0.128) 0.532 5.788 ( -0.357 -0.115 -0.728) 0.819 6.443 ( -1.479 8.694 -1.619) 8.966 6.657 ( -0.628 13.152 -9.719) 16.366 6.884 ( -0.212 -2.318 6.921) 7.302 7.095 ( -5.312 -4.381 -5.654) 8.909 7.563 ( 0.096 0.822 -0.701) 1.085 7.595 ( 0.763 1.292 -1.164) 1.899 7.622 ( 0.252 -0.826 -0.051) 0.865 7.635 ( 0.646 0.267 0.024) 0.700 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 3.709 4.270 -0.686) 5.698 0.787 ( 4.108 1.752 -6.104) 7.563 0.832 ( 2.975 13.366 2.214) 13.871 0.845 ( 1.084 5.871 -6.297) 8.677 1.027 ( 6.124 2.193 0.915) 6.569 1.092 ( -1.213 0.851 -3.900) 4.172 1.188 ( 4.969 -2.688 1.347) 5.808 1.250 ( 2.044 -0.280 -0.268) 2.081 1.301 ( 1.011 1.842 -0.486) 2.157 1.339 ( 2.227 1.995 -0.122) 2.992 1.547 ( -0.464 4.749 -1.132) 4.904 1.564 ( -5.476 4.026 0.383) 6.808 1.602 ( 3.454 4.143 1.135) 5.512 1.632 ( 2.611 3.047 2.926) 4.966 1.895 ( -0.451 2.691 -2.798) 3.908 1.965 ( -0.965 0.865 0.709) 1.477 1.968 ( -2.134 -1.487 2.358) 3.510 1.997 ( 0.249 0.917 -0.535) 1.090 2.034 ( 1.388 1.519 0.064) 2.059 2.107 ( 3.021 2.510 3.488) 5.253 2.180 ( 1.563 -1.471 3.601) 4.192 2.187 ( 0.795 -0.885 -1.657) 2.040 2.284 ( -2.845 0.634 -3.115) 4.266 2.344 ( -0.286 0.380 1.225) 1.314 2.460 ( 0.197 -4.085 -0.509) 4.122 2.526 ( 2.545 -2.561 0.352) 3.628 2.594 ( -0.458 -3.893 1.888) 4.351 2.690 ( -1.475 -1.195 2.341) 3.014 2.715 ( -1.325 -1.681 -4.591) 5.065 2.841 ( 4.272 -0.301 0.620) 4.328 2.874 ( 0.198 -2.497 2.737) 3.710 3.014 ( 3.913 -3.028 -2.528) 5.556 3.102 ( 1.732 -0.146 0.224) 1.753 3.154 ( -0.047 -1.095 -1.613) 1.951 3.260 ( 3.075 -0.658 -2.892) 4.272 3.366 ( 2.410 -2.065 -3.035) 4.391 3.583 ( -4.981 -0.285 5.206) 7.211 3.621 ( -2.490 -0.024 6.294) 6.769 3.811 ( -1.465 1.288 -1.898) 2.722 3.895 ( 0.928 0.126 -1.992) 2.201 4.101 ( -1.049 -1.895 -0.255) 2.181 4.190 ( -1.202 0.833 -0.011) 1.462 4.273 ( -2.323 -0.145 -0.158) 2.333 4.339 ( -0.955 0.079 0.245) 0.989 4.809 ( -1.016 0.390 -2.153) 2.413 4.908 ( 3.074 0.626 1.587) 3.516 4.968 ( 1.892 -1.000 3.576) 4.167 5.029 ( 0.510 -2.389 -3.394) 4.181 5.641 ( -0.411 0.491 -0.267) 0.694 5.681 ( 0.771 0.254 0.800) 1.139 5.757 ( -1.040 0.306 -1.050) 1.509 5.789 ( 0.107 -1.182 0.379) 1.246 6.390 ( -0.237 6.581 -2.070) 6.903 6.670 ( 3.263 6.901 -0.542) 7.652 6.902 ( -4.184 -5.453 1.023) 6.948 6.983 ( -2.123 -2.046 0.933) 3.093 7.562 ( 0.430 0.259 -0.306) 0.588 7.590 ( -0.208 0.203 -1.079) 1.117 7.602 ( -0.015 0.001 -0.875) 0.875 7.674 ( 1.422 -0.194 0.861) 1.674 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 6.148 2.200 -1.533) 6.708 0.779 ( 1.846 5.320 -7.154) 9.104 0.853 ( 2.319 11.211 1.530) 11.551 0.974 ( 3.212 6.915 5.687) 9.512 1.051 ( 2.023 -0.229 -3.539) 4.083 1.144 ( 4.381 -1.112 1.717) 4.835 1.196 ( -0.975 2.702 -5.469) 6.178 1.248 ( -0.137 0.477 -0.462) 0.678 1.315 ( 2.486 -0.683 1.007) 2.768 1.398 ( 1.433 -1.038 1.711) 2.461 1.478 ( -3.735 4.282 1.766) 5.950 1.519 ( -0.450 5.687 -1.282) 5.847 1.676 ( 3.024 1.790 1.437) 3.796 1.716 ( 1.764 2.568 0.529) 3.160 1.877 ( -1.800 0.926 0.616) 2.116 1.940 ( 0.811 -1.484 -0.493) 1.761 1.975 ( -0.854 0.554 0.566) 1.165 1.998 ( 0.038 0.716 0.018) 0.717 2.061 ( 1.124 3.428 0.161) 3.611 2.118 ( -2.083 2.998 -0.116) 3.652 2.196 ( 1.597 0.934 0.436) 1.900 2.215 ( 0.480 0.780 -0.777) 1.201 2.308 ( 2.509 -0.970 2.573) 3.723 2.354 ( 0.164 -0.127 -0.317) 0.379 2.449 ( -1.943 -4.486 -0.787) 4.952 2.542 ( -2.083 -3.279 -1.244) 4.079 2.601 ( 1.867 -1.013 0.328) 2.150 2.622 ( -0.744 1.583 -3.614) 4.015 2.718 ( 0.797 -4.251 2.056) 4.789 2.883 ( -1.900 -2.034 3.264) 4.290 2.914 ( 2.953 -1.748 -0.208) 3.438 3.050 ( 3.399 -3.373 -3.249) 5.787 3.136 ( 0.958 -0.221 -0.396) 1.060 3.152 ( 1.399 -0.086 0.907) 1.670 3.279 ( 1.972 -0.046 -2.795) 3.421 3.374 ( 1.612 -1.454 -2.953) 3.665 3.537 ( -5.308 0.190 4.960) 7.267 3.619 ( -3.569 -0.546 4.715) 5.938 3.774 ( -0.315 1.399 -2.045) 2.497 3.892 ( 1.076 -0.064 -2.634) 2.847 4.090 ( 0.381 -1.259 -0.865) 1.574 4.158 ( -1.868 1.356 -0.680) 2.406 4.241 ( -1.288 0.160 0.690) 1.470 4.323 ( -0.734 0.009 -0.175) 0.755 4.789 ( 0.202 0.683 -0.436) 0.835 4.953 ( 1.167 0.270 -0.471) 1.287 5.011 ( 1.152 -2.402 0.181) 2.670 5.030 ( 0.694 -0.557 0.924) 1.283 5.634 ( -0.088 0.776 -0.130) 0.792 5.703 ( 0.582 -0.689 -0.014) 0.902 5.731 ( -0.639 1.190 -0.144) 1.358 5.792 ( -0.152 -1.795 0.230) 1.816 6.408 ( 2.303 3.254 0.891) 4.085 6.701 ( 0.474 4.495 -0.535) 4.551 6.820 ( -2.342 -5.775 -1.174) 6.341 6.983 ( -2.140 -1.758 2.627) 3.817 7.569 ( 0.509 -0.116 0.035) 0.523 7.584 ( 0.242 -0.531 0.184) 0.612 7.602 ( 0.377 0.935 -0.082) 1.011 7.694 ( 0.391 0.075 0.109) 0.412 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 5.437 3.059 -0.500) 6.258 0.827 ( -1.697 12.504 0.920) 12.652 0.936 ( 2.277 3.905 3.476) 5.702 1.004 ( -2.069 2.124 -0.317) 2.982 1.084 ( 2.535 -0.433 2.022) 3.272 1.192 ( 6.283 6.896 -0.728) 9.358 1.228 ( 1.461 -1.659 3.676) 4.289 1.252 ( 0.306 0.470 0.444) 0.715 1.316 ( -1.958 0.631 -0.669) 2.163 1.424 ( -0.028 2.541 0.462) 2.582 1.472 ( -1.344 3.343 4.069) 5.435 1.529 ( 1.282 3.590 0.598) 3.859 1.706 ( 0.185 1.673 1.141) 2.034 1.745 ( -0.741 2.105 0.133) 2.236 1.833 ( -0.473 0.448 0.306) 0.720 1.928 ( -2.476 1.225 -2.388) 3.652 1.947 ( -0.112 1.404 -3.200) 3.496 1.989 ( -0.696 -2.661 0.918) 2.900 2.070 ( 0.934 1.206 -1.122) 1.894 2.101 ( -0.636 3.248 1.077) 3.480 2.195 ( -4.192 0.048 -4.308) 6.011 2.253 ( 2.832 1.488 2.361) 3.976 2.263 ( -2.895 -1.267 -2.493) 4.025 2.337 ( -1.095 -1.582 -2.322) 3.016 2.405 ( -0.739 -0.655 -1.865) 2.110 2.471 ( -0.173 -3.033 -3.825) 4.884 2.640 ( 0.454 -0.989 1.109) 1.554 2.651 ( 2.239 -0.190 1.240) 2.567 2.756 ( 1.097 -4.759 2.434) 5.457 2.867 ( -3.134 -2.013 3.305) 4.979 2.943 ( 0.290 -1.170 -0.143) 1.214 3.079 ( 2.486 -2.657 -2.108) 4.205 3.149 ( 0.548 -0.114 0.725) 0.916 3.181 ( 0.478 -0.984 0.855) 1.388 3.290 ( 3.006 0.232 -3.410) 4.552 3.369 ( 1.560 -0.201 -4.102) 4.393 3.495 ( -4.548 0.138 5.324) 7.003 3.593 ( -3.575 -0.391 3.741) 5.189 3.763 ( 0.994 1.207 -1.879) 2.444 3.883 ( 1.039 -0.086 -3.141) 3.310 4.096 ( 1.045 -0.314 -0.941) 1.441 4.121 ( -0.998 1.306 -1.033) 1.941 4.244 ( 0.398 -0.376 1.413) 1.515 4.312 ( -0.179 0.395 -0.501) 0.663 4.809 ( 1.392 0.648 1.482) 2.134 4.939 ( -1.241 0.262 -2.171) 2.514 5.027 ( -1.492 -0.990 1.296) 2.210 5.047 ( 1.693 -1.823 0.327) 2.509 5.636 ( 0.296 0.829 0.172) 0.897 5.684 ( -0.912 0.438 -1.438) 1.758 5.748 ( 0.948 -0.214 1.260) 1.591 5.788 ( -0.335 -1.979 -0.161) 2.013 6.461 ( 0.868 2.611 3.285) 4.286 6.688 ( 0.350 1.011 -2.255) 2.495 6.820 ( 1.214 -5.011 1.845) 5.476 6.940 ( -2.656 -1.572 -0.957) 3.232 7.580 ( 0.245 0.435 0.518) 0.719 7.597 ( 0.367 -0.258 0.933) 1.035 7.613 ( 0.632 1.168 0.812) 1.557 7.692 ( -0.427 0.247 -0.586) 0.766 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -6.142 15.371 -4.466) 17.144 0.823 ( -6.626 7.738 -0.052) 10.187 0.937 ( -1.978 1.037 -1.001) 2.447 1.029 ( 5.077 -3.394 2.931) 6.774 1.123 ( -2.341 -1.421 1.121) 2.959 1.216 ( -3.863 3.229 -0.792) 5.097 1.249 ( -4.272 0.525 1.438) 4.538 1.273 ( -1.618 2.250 1.581) 3.191 1.330 ( -5.099 3.976 -2.930) 7.099 1.365 ( 4.826 4.651 1.983) 6.989 1.491 ( 0.291 5.297 1.490) 5.511 1.547 ( 0.634 3.388 0.092) 3.448 1.688 ( -4.787 2.194 2.486) 5.823 1.737 ( -0.921 1.661 5.015) 5.363 1.868 ( 2.757 1.547 0.516) 3.203 1.891 ( -0.530 0.481 -3.613) 3.683 1.918 ( 0.690 1.434 -2.528) 2.987 1.993 ( -2.456 -1.944 -3.678) 4.831 2.006 ( -1.108 -0.742 -1.444) 1.966 2.087 ( -0.079 1.953 -0.296) 1.977 2.102 ( 1.130 0.707 1.141) 1.754 2.256 ( 0.046 -2.644 2.111) 3.384 2.287 ( -0.755 -0.619 -0.298) 1.021 2.339 ( 4.542 -2.084 -0.879) 5.074 2.404 ( 1.078 -0.330 -1.521) 1.893 2.449 ( 2.006 -2.866 -2.802) 4.482 2.616 ( -2.907 -0.665 -0.421) 3.012 2.687 ( -0.113 -0.658 1.441) 1.588 2.771 ( -1.549 -4.371 0.333) 4.650 2.842 ( -2.845 -0.278 2.829) 4.022 2.919 ( -2.596 -0.945 -0.417) 2.794 3.083 ( -0.656 -2.696 -0.990) 2.946 3.158 ( -0.978 -0.500 1.615) 1.953 3.197 ( 0.257 -1.288 0.575) 1.433 3.320 ( 4.136 0.377 -4.553) 6.162 3.348 ( 1.459 0.125 -6.027) 6.203 3.485 ( -2.633 -0.455 6.411) 6.946 3.569 ( -3.301 -0.332 4.476) 5.571 3.773 ( 2.182 1.105 -1.979) 3.146 3.873 ( 1.180 0.256 -3.027) 3.259 4.091 ( -0.267 -0.086 -0.699) 0.754 4.125 ( 2.072 1.158 -0.911) 2.543 4.274 ( 1.310 -1.062 1.255) 2.102 4.307 ( 0.348 0.835 -0.821) 1.221 4.855 ( 1.233 0.115 1.972) 2.329 4.879 ( -2.333 0.460 -2.505) 3.454 4.980 ( -4.016 -0.497 0.010) 4.046 5.091 ( 1.851 -2.320 1.161) 3.187 5.646 ( 0.410 0.470 0.485) 0.790 5.659 ( -0.442 0.912 -1.055) 1.462 5.769 ( 0.112 -1.325 0.229) 1.349 5.784 ( 0.488 -1.066 0.239) 1.197 6.492 ( -0.911 4.172 3.539) 5.546 6.686 ( 1.905 -0.654 -2.603) 3.292 6.819 ( -2.353 -0.076 0.465) 2.399 6.965 ( 5.627 -4.092 1.762) 7.177 7.587 ( -0.109 0.745 0.692) 1.022 7.610 ( 0.624 2.010 0.418) 2.145 7.636 ( 0.387 0.103 1.546) 1.597 7.668 ( -1.342 0.283 -1.203) 1.824 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -8.359 13.286 -4.156) 16.238 0.676 ( -8.577 11.347 -0.141) 14.225 0.832 ( -11.538 5.578 -7.854) 15.031 0.897 ( -10.936 4.866 -4.084) 12.647 1.057 ( -4.717 0.814 -0.974) 4.885 1.142 ( -5.272 0.012 -2.324) 5.761 1.177 ( -1.281 -3.141 3.013) 4.537 1.243 ( -2.994 3.196 0.583) 4.419 1.298 ( 2.356 4.283 1.457) 5.100 1.414 ( -0.336 3.547 -0.014) 3.563 1.513 ( 1.162 2.515 -2.187) 3.529 1.576 ( 1.601 2.984 1.379) 3.656 1.676 ( -0.242 3.243 5.987) 6.813 1.713 ( -4.127 2.864 -0.626) 5.063 1.788 ( -3.218 1.314 -4.102) 5.377 1.863 ( 0.637 1.859 -2.970) 3.561 1.952 ( 3.049 0.093 3.349) 4.530 2.016 ( 1.313 -1.614 0.811) 2.233 2.063 ( 1.199 0.395 -0.147) 1.271 2.068 ( 2.008 0.125 1.853) 2.735 2.161 ( 2.059 0.589 3.051) 3.728 2.246 ( -3.188 -1.011 -0.387) 3.366 2.315 ( 1.305 -2.805 -1.018) 3.257 2.366 ( 2.145 0.049 1.343) 2.531 2.422 ( 3.853 -5.405 -2.178) 6.986 2.515 ( 2.948 -0.977 -1.009) 3.265 2.547 ( -2.439 0.346 -0.984) 2.653 2.674 ( -1.986 -1.119 -0.182) 2.286 2.732 ( -2.877 -0.904 1.212) 3.250 2.808 ( -2.828 -1.477 1.358) 3.467 2.858 ( -3.368 -0.694 -0.226) 3.447 3.040 ( -3.097 -3.618 -1.139) 4.896 3.140 ( -2.724 -1.309 1.242) 3.267 3.177 ( -2.678 -2.247 0.131) 3.499 3.310 ( 1.470 0.330 -5.747) 5.942 3.343 ( 2.851 0.501 -5.451) 6.172 3.519 ( -0.720 -0.821 6.406) 6.498 3.566 ( -2.646 -0.588 6.298) 6.856 3.798 ( 2.641 0.959 -2.230) 3.588 3.872 ( 1.477 0.827 -2.167) 2.750 4.090 ( 1.044 -0.535 -0.915) 1.488 4.160 ( 2.185 0.509 -0.041) 2.243 4.297 ( 0.202 -0.515 0.110) 0.564 4.317 ( 1.706 0.303 -0.566) 1.823 4.803 ( -2.603 0.131 -1.987) 3.277 4.880 ( -3.081 -1.320 0.138) 3.355 4.917 ( -0.816 0.832 1.277) 1.729 5.123 ( 0.847 -2.330 0.419) 2.514 5.647 ( 0.092 0.716 -0.551) 0.908 5.660 ( 0.205 0.165 0.600) 0.655 5.765 ( -0.021 -0.734 -0.567) 0.928 5.801 ( 0.571 -0.742 0.444) 1.036 6.483 ( -1.893 3.873 -0.717) 4.370 6.705 ( 2.024 -0.758 -0.713) 2.276 6.868 ( 8.394 10.838 3.543) 14.159 7.107 ( 7.232 -4.908 2.634) 9.129 7.591 ( -0.002 0.947 0.285) 0.989 7.619 ( -0.796 1.684 -1.083) 2.155 7.623 ( -1.492 1.732 -1.188) 2.576 7.659 ( 0.942 0.808 1.779) 2.169 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -11.552 10.887 -4.948) 16.627 0.398 ( -10.754 10.834 0.469) 15.272 0.641 ( -2.448 24.116 3.095) 24.437 0.767 ( -5.949 1.001 1.741) 6.279 0.951 ( -3.612 2.671 -1.523) 4.744 1.037 ( -3.641 2.530 -1.338) 4.631 1.172 ( -0.605 1.218 -0.714) 1.536 1.212 ( -1.119 0.303 0.174) 1.172 1.370 ( -2.102 0.123 -2.978) 3.647 1.379 ( 2.978 3.041 3.182) 5.314 1.477 ( -1.326 -1.019 -4.093) 4.422 1.602 ( 0.747 2.122 -0.264) 2.265 1.673 ( -1.084 3.810 1.953) 4.417 1.734 ( 0.684 3.131 1.853) 3.702 1.744 ( 0.068 5.869 0.699) 5.910 1.863 ( 1.517 1.815 -1.113) 2.614 1.997 ( -0.833 0.449 2.835) 2.989 2.046 ( 0.578 1.384 1.007) 1.806 2.085 ( 1.529 -1.415 1.769) 2.733 2.114 ( 0.167 0.567 0.093) 0.598 2.154 ( -3.269 -1.102 -2.819) 4.455 2.200 ( 0.859 -0.385 0.156) 0.955 2.311 ( -1.178 -3.073 2.440) 4.097 2.422 ( -0.734 0.981 -2.954) 3.198 2.457 ( 1.538 -0.264 0.621) 1.680 2.488 ( 3.920 -4.074 -0.833) 5.715 2.598 ( 3.253 -0.598 3.214) 4.612 2.608 ( -3.402 -0.708 -3.587) 4.994 2.698 ( -1.580 0.211 3.147) 3.528 2.766 ( -3.552 -2.750 -0.332) 4.505 2.825 ( -0.692 -0.856 0.660) 1.283 2.954 ( -4.811 -7.105 -0.689) 8.608 3.092 ( -3.706 -2.072 2.550) 4.953 3.143 ( -1.765 -1.112 1.277) 2.446 3.292 ( 1.320 -0.842 -3.761) 4.074 3.329 ( 1.814 0.363 -5.514) 5.816 3.561 ( -1.323 -1.022 5.679) 5.920 3.586 ( -2.182 -0.570 6.680) 7.050 3.824 ( 2.355 0.992 -1.490) 2.958 3.881 ( 1.335 1.001 -1.397) 2.176 4.110 ( 1.762 -0.848 -0.145) 1.961 4.188 ( 0.970 -0.384 -0.854) 1.348 4.300 ( -0.056 -0.025 1.243) 1.245 4.344 ( 1.824 0.524 -0.511) 1.965 4.758 ( -1.075 -0.109 -0.300) 1.121 4.817 ( -2.957 -0.761 1.345) 3.337 4.927 ( -0.194 0.359 0.161) 0.438 5.127 ( -0.015 -2.327 -1.157) 2.599 5.647 ( 0.343 0.583 -0.203) 0.707 5.664 ( -0.230 -0.191 0.421) 0.516 5.763 ( 0.313 0.377 -0.330) 0.591 5.809 ( 0.102 -0.560 -0.087) 0.576 6.437 ( -0.638 4.674 -2.411) 5.298 6.745 ( 1.700 -0.734 2.449) 3.070 7.131 ( 16.797 13.113 -11.284) 24.112 7.249 ( 6.849 -0.989 -1.662) 7.117 7.566 ( -1.738 -0.432 -0.925) 2.016 7.581 ( -1.447 1.612 -2.266) 3.135 7.597 ( -0.578 -0.256 -0.244) 0.678 7.706 ( 2.933 4.812 -1.539) 5.842 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -0.184 8.418 5.764) 10.204 0.665 ( 7.959 11.356 7.069) 15.565 0.731 ( 0.970 -1.585 4.292) 4.677 0.957 ( -0.162 1.936 -1.719) 2.594 1.025 ( -0.909 -3.576 -1.661) 4.047 1.065 ( 1.526 0.713 0.129) 1.690 1.205 ( 4.053 15.614 2.260) 16.289 1.229 ( 0.335 3.735 -2.631) 4.581 1.354 ( -2.138 -1.692 -4.196) 5.004 1.412 ( 0.423 4.926 -0.260) 4.951 1.560 ( 2.225 6.133 3.152) 7.245 1.679 ( -0.113 3.830 1.036) 3.969 1.721 ( -1.514 2.778 0.145) 3.167 1.832 ( -2.373 5.025 -0.179) 5.560 1.868 ( 1.088 4.451 1.320) 4.768 1.900 ( 1.286 -0.526 0.032) 1.390 2.009 ( -2.969 -2.297 -1.048) 3.897 2.026 ( -1.353 1.960 0.736) 2.492 2.084 ( -0.649 -0.692 -1.412) 1.701 2.095 ( -0.841 -0.193 -0.816) 1.188 2.118 ( 2.147 -1.796 1.487) 3.170 2.218 ( -1.240 2.086 -0.611) 2.502 2.256 ( 1.115 -4.423 2.857) 5.382 2.380 ( 0.552 -5.418 0.431) 5.463 2.410 ( -1.240 -0.907 -3.294) 3.635 2.463 ( -2.750 -0.239 -3.212) 4.235 2.571 ( 1.549 -1.559 0.878) 2.367 2.616 ( -0.334 -1.105 2.919) 3.139 2.638 ( 0.188 -2.266 -1.303) 2.620 2.688 ( -0.056 -4.523 0.731) 4.582 2.784 ( 0.815 -0.150 1.838) 2.016 2.848 ( 1.400 -2.316 1.753) 3.224 3.073 ( -0.428 0.522 0.830) 1.070 3.108 ( -0.871 -0.837 0.096) 1.212 3.256 ( 1.412 -0.263 -5.623) 5.803 3.299 ( 1.919 -1.778 -5.809) 6.371 3.580 ( -2.001 0.433 6.953) 7.248 3.600 ( -2.229 -0.301 6.693) 7.061 3.873 ( 1.395 1.427 -1.402) 2.439 3.903 ( 0.888 0.220 -1.314) 1.601 4.127 ( 1.338 -0.708 0.275) 1.538 4.153 ( -0.506 -1.674 -0.971) 2.000 4.314 ( -0.490 0.372 1.280) 1.420 4.353 ( -0.007 -0.937 0.147) 0.948 4.769 ( 1.310 0.412 1.663) 2.156 4.802 ( 0.831 -1.128 2.884) 3.206 4.926 ( -1.043 1.783 -1.683) 2.665 5.043 ( -0.755 -3.503 -2.462) 4.347 5.660 ( -0.181 0.105 0.255) 0.330 5.663 ( 0.262 0.304 0.178) 0.439 5.777 ( 0.010 0.436 -0.007) 0.436 5.795 ( -0.152 -0.483 -0.392) 0.640 6.574 ( 1.600 7.614 1.213) 7.875 6.774 ( 1.165 -2.520 3.764) 4.677 7.104 ( -3.262 -2.595 -9.537) 10.408 7.135 ( -5.465 -3.618 -9.337) 11.408 7.562 ( 1.265 0.241 0.457) 1.366 7.573 ( 1.488 -0.105 -0.011) 1.491 7.624 ( -0.440 2.955 -1.832) 3.504 7.725 ( -1.301 0.252 -6.359) 6.496 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 6.914 6.577 4.971) 10.760 0.832 ( 6.411 -0.280 3.252) 7.194 0.902 ( 7.758 5.777 4.352) 10.607 0.959 ( -0.027 1.474 -2.187) 2.637 0.976 ( -0.468 -0.525 -2.301) 2.406 1.091 ( 2.425 -1.977 -2.285) 3.875 1.207 ( -0.533 2.625 -4.066) 4.869 1.251 ( 0.881 2.886 -4.302) 5.255 1.348 ( 4.399 14.023 5.499) 15.692 1.433 ( 1.581 6.209 -2.490) 6.874 1.628 ( -0.044 4.363 2.444) 5.001 1.671 ( -1.110 4.938 0.443) 5.080 1.704 ( -0.513 1.972 1.747) 2.684 1.763 ( -2.893 5.547 -3.163) 7.011 1.897 ( 0.248 0.908 1.765) 2.000 1.910 ( -0.192 -1.230 0.943) 1.561 1.959 ( -0.993 -0.746 1.155) 1.696 2.016 ( 1.216 1.224 0.868) 1.931 2.076 ( 1.126 0.116 -0.889) 1.440 2.088 ( -2.564 0.092 -1.137) 2.806 2.135 ( -0.357 -3.185 0.421) 3.232 2.185 ( -0.736 2.273 0.762) 2.508 2.317 ( -1.914 -0.751 -2.230) 3.033 2.327 ( 2.054 -4.743 3.644) 6.324 2.404 ( -0.913 -3.183 0.562) 3.359 2.417 ( 0.157 -3.695 -2.879) 4.687 2.548 ( -1.108 0.522 -0.635) 1.380 2.634 ( 0.539 -1.111 1.764) 2.154 2.681 ( 2.592 -4.394 -2.707) 5.775 2.735 ( 3.487 -2.356 3.725) 5.620 2.818 ( 0.902 0.420 0.893) 1.337 2.905 ( 3.222 -3.181 -0.797) 4.598 3.084 ( 0.502 0.359 0.646) 0.893 3.114 ( 1.509 -0.686 0.560) 1.749 3.236 ( 2.153 -0.317 -5.050) 5.499 3.293 ( 3.050 -3.134 -4.941) 6.599 3.602 ( -2.837 0.456 6.182) 6.817 3.612 ( -3.142 0.264 6.535) 7.256 3.870 ( -0.205 1.260 -1.603) 2.050 3.900 ( 0.378 -0.117 -1.619) 1.666 4.114 ( -1.389 0.008 -0.754) 1.581 4.167 ( 1.463 -1.951 0.020) 2.438 4.306 ( -1.590 0.302 0.995) 1.900 4.345 ( -0.934 -1.069 0.191) 1.432 4.826 ( 2.122 0.341 1.938) 2.894 4.866 ( 2.436 -1.350 3.279) 4.302 4.890 ( -0.324 1.828 -1.631) 2.471 5.002 ( -0.502 -3.482 -3.449) 4.926 5.658 ( -0.238 0.480 0.113) 0.547 5.672 ( 0.431 0.138 0.302) 0.544 5.774 ( -0.357 0.146 0.141) 0.411 5.785 ( -0.456 -0.218 -0.455) 0.680 6.607 ( -1.371 7.778 1.899) 8.123 6.815 ( -2.250 -2.094 3.149) 4.400 6.855 ( -4.576 3.930 -8.420) 10.358 6.995 ( -5.053 -5.088 -4.971) 8.725 7.588 ( 0.193 1.053 -1.554) 1.887 7.601 ( 0.250 0.416 -0.423) 0.644 7.614 ( 2.374 -0.181 0.461) 2.425 7.646 ( -1.368 0.324 -3.680) 3.939 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 4.270 3.132 -1.136) 5.416 0.832 ( -0.938 4.479 -6.590) 8.023 0.966 ( 0.836 2.225 1.371) 2.744 0.984 ( 7.498 1.778 -1.645) 7.880 1.062 ( 0.939 -3.689 -0.351) 3.823 1.105 ( 4.342 3.785 -0.901) 5.831 1.181 ( 3.025 1.904 -0.389) 3.596 1.276 ( 2.143 1.240 -1.369) 2.829 1.384 ( -0.383 6.452 -2.805) 7.046 1.442 ( 0.305 8.540 -3.231) 9.136 1.595 ( -4.141 2.174 1.423) 4.889 1.691 ( -1.195 8.135 -2.058) 8.476 1.697 ( 2.010 3.096 1.148) 3.866 1.712 ( 0.419 5.075 1.504) 5.310 1.882 ( -1.812 -4.625 0.757) 5.024 1.942 ( -1.063 -2.460 1.638) 3.141 1.980 ( -0.482 2.934 0.288) 2.988 2.017 ( -1.001 -0.128 0.643) 1.197 2.082 ( 3.480 2.516 -0.887) 4.385 2.122 ( 3.872 -2.320 4.343) 6.263 2.142 ( 1.898 -2.176 0.541) 2.938 2.200 ( 0.237 4.157 2.269) 4.742 2.303 ( -0.173 0.314 -0.139) 0.385 2.349 ( -1.492 -0.494 0.126) 1.577 2.371 ( 0.128 -3.675 1.103) 3.839 2.446 ( 1.018 -4.858 1.666) 5.236 2.552 ( 1.321 -0.071 -0.058) 1.324 2.639 ( 0.548 -2.271 -1.583) 2.822 2.698 ( -0.288 -0.718 -0.604) 0.982 2.807 ( -0.453 -4.158 3.397) 5.389 2.844 ( 3.770 0.969 -1.534) 4.184 2.942 ( 3.239 -3.748 -2.601) 5.595 3.108 ( 1.553 0.727 0.397) 1.760 3.137 ( 0.718 -0.674 -0.667) 1.189 3.249 ( 3.425 -0.273 -2.972) 4.543 3.311 ( 3.313 -3.196 -3.729) 5.924 3.586 ( -4.632 0.612 5.316) 7.077 3.617 ( -3.338 -0.413 6.016) 6.892 3.840 ( -0.881 1.553 -2.169) 2.809 3.890 ( 0.515 -0.747 -2.138) 2.323 4.089 ( -0.354 0.762 -1.026) 1.326 4.178 ( -0.029 -2.052 -0.594) 2.137 4.281 ( -2.219 0.977 1.050) 2.642 4.328 ( -1.118 -1.072 0.293) 1.576 4.825 ( -0.554 1.342 -1.797) 2.310 4.918 ( 2.148 -1.098 -0.216) 2.422 4.934 ( 1.833 -0.881 2.173) 2.976 4.984 ( 1.461 -1.865 -0.528) 2.427 5.654 ( -0.160 0.893 -0.016) 0.907 5.683 ( 0.443 -0.227 0.174) 0.528 5.765 ( -0.600 0.414 -0.126) 0.739 5.774 ( -0.529 -0.296 0.128) 0.620 6.532 ( -3.828 7.192 -2.196) 8.438 6.773 ( -3.375 -2.429 1.153) 4.315 6.797 ( -2.234 0.579 -0.657) 2.399 6.923 ( -1.302 -3.569 2.206) 4.393 7.572 ( 0.060 0.609 -1.149) 1.302 7.585 ( -0.686 -0.175 -1.136) 1.338 7.619 ( 0.795 1.147 -1.149) 1.808 7.663 ( 1.553 -0.939 0.689) 1.941 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.824 2.911 -1.485) 6.678 0.852 ( 1.078 3.861 -3.308) 5.197 0.981 ( -0.038 1.914 1.450) 2.402 1.023 ( 1.911 -4.632 -1.234) 5.161 1.135 ( 5.304 3.003 0.282) 6.102 1.199 ( 3.822 7.355 2.778) 8.742 1.249 ( 2.664 0.151 -0.068) 2.670 1.277 ( 0.725 4.152 -1.484) 4.469 1.350 ( -1.172 5.097 -0.736) 5.282 1.416 ( 1.708 3.203 -1.604) 3.969 1.538 ( -3.174 2.803 1.531) 4.503 1.655 ( -0.232 7.449 -2.216) 7.775 1.733 ( 0.798 3.790 1.752) 4.251 1.765 ( 2.631 1.956 1.169) 3.480 1.862 ( -1.914 -5.109 0.768) 5.509 1.884 ( -2.982 -2.018 -0.283) 3.612 1.989 ( 0.003 1.152 0.363) 1.208 2.017 ( -0.812 -0.196 -0.127) 0.845 2.100 ( 1.036 0.810 -2.442) 2.774 2.172 ( -0.447 0.628 0.001) 0.771 2.224 ( 3.544 1.240 1.879) 4.198 2.255 ( 0.027 3.130 -0.027) 3.130 2.288 ( 1.650 0.359 0.470) 1.753 2.342 ( -0.877 -1.298 -0.216) 1.582 2.376 ( -0.727 -1.913 -0.371) 2.080 2.461 ( -0.816 -4.599 0.547) 4.702 2.584 ( 2.116 -0.290 0.571) 2.211 2.628 ( 1.133 -2.143 -3.112) 3.944 2.669 ( -2.112 1.231 1.998) 3.157 2.811 ( -2.348 -4.623 4.086) 6.602 2.899 ( 3.267 0.219 -1.013) 3.428 2.981 ( 3.444 -3.431 -1.937) 5.233 3.131 ( 1.154 -0.086 -0.933) 1.487 3.146 ( 1.072 -0.476 0.018) 1.173 3.280 ( 2.600 0.290 -2.487) 3.610 3.334 ( 2.751 -2.310 -2.866) 4.595 3.547 ( -4.992 0.990 4.993) 7.130 3.603 ( -4.042 -1.165 5.038) 6.564 3.808 ( -0.029 1.927 -2.550) 3.196 3.880 ( 0.891 -1.257 -2.699) 3.108 4.085 ( 0.968 0.862 -0.975) 1.622 4.161 ( -0.785 -1.325 -0.992) 1.832 4.253 ( -1.894 1.311 1.191) 2.593 4.313 ( -0.774 -1.081 0.263) 1.356 4.812 ( 0.494 1.833 -0.543) 1.974 4.930 ( 1.116 -3.368 -1.279) 3.772 4.980 ( 1.334 0.372 0.522) 1.480 5.018 ( 0.780 -0.865 1.335) 1.772 5.653 ( 0.048 1.100 -0.008) 1.102 5.689 ( 0.217 -0.728 -0.203) 0.787 5.755 ( -0.371 0.942 -0.068) 1.014 5.766 ( -0.606 -0.571 0.177) 0.852 6.488 ( -0.053 4.539 -0.063) 4.540 6.690 ( -3.136 -6.253 -1.276) 7.110 6.782 ( -1.917 2.951 1.813) 3.958 6.921 ( -2.141 -4.105 1.872) 4.994 7.571 ( 0.503 0.357 0.460) 0.769 7.582 ( 0.225 0.119 0.524) 0.582 7.626 ( 0.785 1.462 -0.310) 1.688 7.685 ( 0.579 -1.073 0.109) 1.224 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.797 2.598 0.515) 3.852 0.929 ( 4.846 2.502 2.263) 5.904 0.997 ( 0.982 -2.593 -0.080) 2.773 1.036 ( -2.397 -0.246 1.263) 2.720 1.181 ( -1.705 4.349 -1.412) 4.880 1.232 ( 0.212 4.303 2.183) 4.830 1.295 ( 1.853 6.263 3.834) 7.573 1.319 ( -0.043 1.468 1.508) 2.105 1.365 ( 4.663 6.534 1.890) 8.247 1.462 ( 1.843 2.544 0.576) 3.194 1.534 ( 0.729 2.803 4.456) 5.315 1.640 ( 0.713 6.671 -2.246) 7.075 1.759 ( 0.189 3.616 2.419) 4.354 1.794 ( -2.863 1.951 -0.548) 3.508 1.838 ( 2.350 0.533 0.990) 2.605 1.878 ( 0.601 -7.207 2.278) 7.582 1.954 ( -2.812 0.889 -2.317) 3.751 1.993 ( -0.569 0.711 -1.794) 2.012 2.084 ( 0.227 0.596 -3.061) 3.127 2.151 ( -0.305 1.346 -1.681) 2.175 2.198 ( -4.302 0.305 -2.817) 5.151 2.237 ( -4.354 -1.195 -5.595) 7.190 2.276 ( 0.698 -0.769 -1.610) 1.916 2.288 ( -2.262 -2.689 -3.978) 5.307 2.375 ( 1.537 -0.604 0.538) 1.737 2.430 ( -1.827 -1.591 -0.175) 2.429 2.627 ( 1.120 -0.194 0.696) 1.333 2.656 ( 2.942 -0.295 -0.906) 3.093 2.675 ( -0.859 -0.986 4.589) 4.771 2.812 ( -2.213 -3.631 5.034) 6.590 2.934 ( 0.990 0.397 -0.361) 1.126 3.016 ( 1.760 -3.326 -0.966) 3.885 3.147 ( 1.139 -0.064 -0.055) 1.142 3.162 ( 0.553 -0.899 0.047) 1.056 3.297 ( 2.653 0.598 -3.086) 4.113 3.350 ( 2.185 -1.618 -3.388) 4.344 3.506 ( -4.830 1.053 5.043) 7.062 3.575 ( -4.052 -1.513 4.509) 6.248 3.795 ( 1.302 2.030 -2.607) 3.552 3.871 ( 1.235 -1.237 -3.026) 3.495 4.099 ( 1.120 0.794 -0.541) 1.476 4.140 ( -0.076 0.149 -1.273) 1.284 4.244 ( -0.473 0.730 1.525) 1.755 4.307 ( -0.179 -1.093 0.116) 1.113 4.831 ( 1.193 1.730 1.073) 2.360 4.932 ( -0.187 -1.809 -1.438) 2.318 4.995 ( 0.109 -0.872 0.702) 1.125 5.023 ( -0.830 -1.010 0.237) 1.329 5.655 ( 0.092 1.031 0.133) 1.044 5.685 ( -0.202 -0.351 -0.606) 0.728 5.754 ( 0.197 0.521 0.097) 0.565 5.758 ( -0.252 -0.715 -0.080) 0.762 6.514 ( 1.352 2.603 2.101) 3.608 6.653 ( 0.066 -4.532 -1.203) 4.689 6.774 ( -0.101 0.745 1.700) 1.859 6.880 ( -2.142 -3.886 -1.024) 4.554 7.591 ( 0.294 0.418 1.372) 1.464 7.595 ( 0.380 0.205 1.460) 1.522 7.641 ( 0.774 1.461 0.535) 1.738 7.687 ( -0.171 -0.682 -0.289) 0.761 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -5.449 5.471 -1.272) 7.825 0.952 ( -2.678 2.351 -1.633) 3.920 0.965 ( 0.160 -0.049 1.807) 1.815 0.980 ( -1.385 -0.396 -0.818) 1.656 1.147 ( -0.911 1.927 1.880) 2.842 1.218 ( -4.133 -1.989 -0.604) 4.627 1.324 ( -0.412 5.893 2.660) 6.479 1.355 ( -0.262 5.984 4.154) 7.289 1.406 ( -4.986 5.286 -2.892) 7.821 1.499 ( 3.433 7.540 2.947) 8.793 1.603 ( -0.347 4.021 1.339) 4.252 1.633 ( 0.796 5.179 -2.414) 5.769 1.734 ( -3.070 2.425 2.186) 4.482 1.789 ( -0.297 3.549 3.785) 5.196 1.879 ( -0.906 -1.660 -1.683) 2.532 1.886 ( 1.790 -1.616 1.169) 2.680 1.930 ( -2.302 -0.757 -2.534) 3.506 1.983 ( 1.832 2.126 -1.112) 3.018 2.008 ( -1.583 1.324 -2.779) 3.461 2.095 ( 1.496 -0.452 0.126) 1.568 2.119 ( -1.490 0.311 -3.772) 4.067 2.185 ( -0.382 -4.419 0.449) 4.458 2.237 ( 1.998 -5.084 -2.871) 6.171 2.269 ( 0.854 -3.996 -2.694) 4.895 2.385 ( -1.596 -0.394 -0.217) 1.659 2.430 ( 1.835 -0.164 2.185) 2.858 2.618 ( -1.536 0.807 -1.004) 2.005 2.683 ( 0.462 -0.337 -0.660) 0.873 2.695 ( -1.729 -1.361 3.365) 4.021 2.818 ( -2.189 -2.318 3.649) 4.846 2.918 ( -2.022 0.970 -1.024) 2.466 3.016 ( -1.025 -3.573 -0.846) 3.812 3.151 ( -1.198 -0.180 0.992) 1.565 3.173 ( -0.313 -1.100 0.532) 1.262 3.325 ( 4.101 0.151 -4.116) 5.812 3.345 ( 1.994 -0.478 -5.574) 5.939 3.482 ( -3.491 0.438 6.425) 7.325 3.547 ( -3.905 -1.841 5.030) 6.629 3.803 ( 2.304 1.922 -2.617) 3.981 3.870 ( 1.693 -0.751 -2.718) 3.289 4.100 ( -0.304 1.096 -0.637) 1.304 4.143 ( 1.568 0.309 -1.340) 2.085 4.262 ( 0.672 0.166 1.653) 1.792 4.308 ( 0.434 -0.851 -0.159) 0.968 4.862 ( 0.198 0.685 1.123) 1.330 4.888 ( -1.980 0.254 -2.176) 2.953 4.970 ( -3.020 -0.240 0.084) 3.031 5.034 ( 1.091 -3.118 1.324) 3.559 5.657 ( -0.091 0.664 0.218) 0.705 5.674 ( -0.240 0.393 -0.607) 0.762 5.755 ( 0.236 -0.143 -0.132) 0.305 5.767 ( 0.864 -0.623 0.211) 1.086 6.556 ( 0.738 2.466 1.844) 3.166 6.657 ( 1.975 -2.338 -2.208) 3.774 6.819 ( 2.686 0.029 2.584) 3.727 6.876 ( 3.557 -4.048 0.684) 5.432 7.605 ( 0.171 0.969 1.036) 1.428 7.627 ( 1.060 0.027 2.141) 2.390 7.657 ( 0.266 1.127 0.295) 1.195 7.673 ( -0.896 0.216 -0.427) 1.015 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -10.498 7.330 -1.277) 12.868 0.832 ( -7.221 5.050 -4.904) 10.085 0.872 ( -6.500 0.265 -1.046) 6.589 1.045 ( 0.958 -4.406 1.470) 4.742 1.099 ( -5.824 2.297 0.486) 6.279 1.139 ( -3.094 0.660 -1.215) 3.389 1.207 ( -6.225 14.679 -6.509) 17.222 1.310 ( -2.812 3.925 -1.616) 5.091 1.393 ( -0.091 3.235 2.433) 4.049 1.517 ( -2.730 6.060 0.653) 6.679 1.573 ( -1.815 1.533 -5.656) 6.134 1.619 ( 1.687 2.095 0.755) 2.794 1.733 ( -0.817 2.722 4.516) 5.335 1.788 ( -1.421 4.625 -0.804) 4.905 1.847 ( -0.101 4.510 1.120) 4.648 1.877 ( 1.289 -1.561 -1.607) 2.584 1.937 ( 2.629 -1.675 0.811) 3.221 2.005 ( 0.716 0.583 1.693) 1.928 2.069 ( 0.720 -0.131 -1.646) 1.801 2.091 ( 2.992 2.546 3.826) 5.484 2.170 ( 3.166 -0.259 3.760) 4.922 2.177 ( -1.708 -5.501 -0.180) 5.763 2.240 ( -0.676 -4.407 -2.402) 5.064 2.288 ( 3.727 -6.168 -1.485) 7.358 2.384 ( 1.520 1.301 2.913) 3.534 2.484 ( 0.993 -2.096 -0.248) 2.332 2.578 ( -0.996 1.804 -0.654) 2.162 2.659 ( -1.280 -1.044 -1.700) 2.371 2.687 ( -2.700 -1.331 4.206) 5.172 2.787 ( -3.743 -1.524 0.402) 4.061 2.854 ( -3.604 0.843 -1.035) 3.843 2.957 ( -4.211 -3.908 -2.022) 6.090 3.127 ( -2.633 -0.200 1.027) 2.833 3.149 ( -2.051 -1.043 0.289) 2.320 3.319 ( 1.359 0.635 -5.852) 6.041 3.349 ( 3.138 -0.172 -5.772) 6.572 3.506 ( -1.344 -0.344 7.030) 7.165 3.540 ( -2.991 -1.767 6.841) 7.673 3.825 ( 2.781 1.808 -2.471) 4.137 3.880 ( 1.931 -0.223 -2.079) 2.846 4.091 ( 0.509 0.842 -1.222) 1.569 4.157 ( 0.940 -1.035 -0.613) 1.526 4.289 ( 0.600 0.250 1.266) 1.423 4.320 ( 1.089 -0.392 -0.163) 1.169 4.811 ( -2.795 0.647 -1.857) 3.417 4.853 ( -3.111 -1.436 -0.527) 3.466 4.942 ( -0.374 1.824 1.208) 2.219 5.062 ( 0.582 -3.692 0.934) 3.852 5.657 ( -0.061 0.400 0.042) 0.407 5.667 ( -0.210 0.348 -0.160) 0.437 5.762 ( 0.629 0.263 -0.014) 0.681 5.785 ( 0.815 -0.815 0.170) 1.165 6.560 ( -0.033 4.065 -1.472) 4.323 6.681 ( 2.331 -1.731 -1.020) 3.077 6.956 ( 9.425 -0.286 3.408) 10.026 7.004 ( 7.571 -4.698 3.481) 9.566 7.611 ( -0.923 0.813 -0.158) 1.240 7.635 ( -0.912 1.573 -0.772) 1.975 7.639 ( -1.240 0.006 0.456) 1.321 7.703 ( 3.536 1.192 0.844) 3.826 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -7.560 7.815 1.639) 10.996 0.634 ( -7.739 12.212 -2.538) 14.678 0.750 ( -6.116 -1.955 1.975) 6.718 1.005 ( -3.352 1.367 -0.680) 3.683 1.036 ( 0.218 4.243 -1.750) 4.595 1.077 ( -3.433 1.530 -0.160) 3.762 1.155 ( 2.458 8.376 -1.835) 8.920 1.248 ( -0.642 2.627 -2.373) 3.598 1.383 ( -1.775 1.022 -1.058) 2.305 1.464 ( -1.913 1.225 -0.392) 2.305 1.525 ( -0.287 7.300 -0.967) 7.369 1.657 ( 1.358 2.948 0.911) 3.372 1.740 ( -0.951 3.125 0.750) 3.351 1.813 ( 1.275 4.249 2.663) 5.174 1.856 ( 0.935 3.797 -0.558) 3.950 1.882 ( 0.481 1.018 0.191) 1.142 2.011 ( -0.520 1.346 2.747) 3.103 2.023 ( 4.138 -3.617 1.386) 5.668 2.088 ( 0.119 -2.900 -1.664) 3.345 2.109 ( -2.103 0.382 -1.102) 2.405 2.146 ( -2.186 2.207 0.739) 3.194 2.214 ( 1.069 1.354 0.808) 1.905 2.233 ( -0.176 -4.106 1.856) 4.510 2.348 ( 2.628 -5.891 0.980) 6.525 2.435 ( -0.862 -0.344 -2.091) 2.288 2.484 ( 3.862 -0.291 2.749) 4.750 2.557 ( -1.844 -1.249 -1.852) 2.897 2.621 ( -1.257 0.501 -1.543) 2.052 2.680 ( -2.552 -2.217 3.215) 4.665 2.708 ( -3.810 -2.722 -0.704) 4.735 2.789 ( -2.292 -0.690 -0.503) 2.446 2.861 ( -3.728 -2.818 -0.272) 4.681 3.089 ( -2.184 0.501 0.882) 2.408 3.124 ( -1.276 -1.030 0.535) 1.725 3.287 ( 1.115 0.330 -5.555) 5.675 3.329 ( 1.395 -0.666 -6.177) 6.368 3.547 ( -1.514 -0.270 6.745) 6.918 3.568 ( -1.751 -1.090 7.380) 7.663 3.852 ( 2.483 1.736 -1.906) 3.579 3.895 ( 1.531 0.153 -1.562) 2.192 4.100 ( 1.579 0.057 -0.788) 1.766 4.164 ( 0.173 -2.075 -0.332) 2.109 4.305 ( 0.050 0.724 1.157) 1.366 4.341 ( 1.077 -0.539 0.091) 1.208 4.762 ( -1.230 0.482 -0.262) 1.346 4.797 ( -2.254 -1.173 0.713) 2.639 4.947 ( -0.293 1.826 0.044) 1.850 5.067 ( -0.177 -3.566 -0.644) 3.628 5.657 ( 0.108 0.325 0.061) 0.348 5.663 ( -0.223 0.091 0.130) 0.273 5.773 ( 0.456 0.532 -0.001) 0.701 5.796 ( 0.350 -0.703 -0.090) 0.790 6.552 ( 0.831 6.412 -1.122) 6.562 6.721 ( 2.081 -1.903 1.151) 3.046 7.110 ( 5.542 -3.759 -1.179) 6.800 7.189 ( 7.896 -6.330 -0.866) 10.157 7.570 ( -1.722 0.657 -0.788) 2.004 7.591 ( -2.457 -0.046 -1.502) 2.880 7.637 ( 0.382 3.331 -0.890) 3.469 7.764 ( 3.250 -0.264 -3.590) 4.850 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.431 -5.172 5.559) 7.605 0.662 ( 0.431 5.172 5.559) 7.605 0.874 ( 3.641 -9.446 2.330) 10.388 0.874 ( 3.641 9.446 2.330) 10.388 1.025 ( -0.310 -3.097 -2.476) 3.977 1.025 ( -0.310 3.097 -2.476) 3.977 1.296 ( 0.294 -2.936 -3.623) 4.672 1.296 ( 0.294 2.936 -3.623) 4.672 1.432 ( 2.381 -4.029 1.371) 4.877 1.432 ( 2.381 4.029 1.371) 4.877 1.683 ( -0.285 -4.006 2.214) 4.586 1.683 ( -0.285 4.006 2.214) 4.586 1.815 ( -0.040 -5.878 1.147) 5.989 1.815 ( -0.040 5.878 1.147) 5.989 1.927 ( -1.648 -4.515 -0.909) 4.892 1.927 ( -1.648 4.515 -0.909) 4.892 1.986 ( 0.717 -5.198 0.753) 5.300 1.986 ( 0.717 5.198 0.753) 5.300 2.074 ( -0.469 -2.406 -1.233) 2.744 2.074 ( -0.469 2.406 -1.233) 2.744 2.158 ( -0.934 -3.470 0.959) 3.720 2.158 ( -0.934 3.470 0.959) 3.720 2.296 ( -0.843 -3.483 1.131) 3.758 2.296 ( -0.843 3.483 1.131) 3.758 2.419 ( -1.362 -2.411 -3.002) 4.084 2.419 ( -1.362 2.411 -3.002) 4.084 2.585 ( 1.641 -2.259 -0.236) 2.802 2.585 ( 1.641 2.259 -0.236) 2.802 2.630 ( -1.160 -1.776 0.648) 2.218 2.630 ( -1.160 1.776 0.648) 2.218 2.804 ( 1.191 -1.960 1.745) 2.882 2.804 ( 1.191 1.960 1.745) 2.882 3.089 ( -0.412 -1.013 0.187) 1.110 3.089 ( -0.412 1.013 0.187) 1.110 3.266 ( 1.283 -1.282 -6.027) 6.294 3.266 ( 1.283 1.282 -6.027) 6.294 3.592 ( -1.851 -0.623 7.068) 7.333 3.592 ( -1.851 0.623 7.068) 7.333 3.897 ( 1.092 -0.865 -1.513) 2.057 3.897 ( 1.092 0.865 -1.513) 2.057 4.125 ( 0.466 -0.771 -0.264) 0.939 4.125 ( 0.466 0.771 -0.264) 0.939 4.331 ( -0.400 -1.175 0.483) 1.332 4.331 ( -0.400 1.175 0.483) 1.332 4.781 ( 1.079 -0.854 2.143) 2.547 4.781 ( 1.079 0.854 2.143) 2.547 4.976 ( -0.934 -3.181 -2.033) 3.889 4.976 ( -0.934 3.181 -2.033) 3.889 5.664 ( 0.056 -0.195 0.255) 0.326 5.664 ( 0.056 0.195 0.255) 0.326 5.785 ( -0.089 -0.477 -0.151) 0.509 5.785 ( -0.089 0.477 -0.151) 0.509 6.703 ( 1.343 -5.099 2.298) 5.752 6.703 ( 1.343 5.099 2.298) 5.752 7.077 ( -3.379 -1.141 -6.362) 7.293 7.077 ( -3.379 1.141 -6.362) 7.293 7.569 ( 1.019 -0.357 0.100) 1.085 7.569 ( 1.019 0.357 0.100) 1.085 7.689 ( -0.802 -3.250 -3.972) 5.195 7.689 ( -0.802 3.250 -3.972) 5.195 ======================= Grid point 89 (46/84) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 5.653 -5.149 4.315) 8.780 0.772 ( 5.653 5.149 4.315) 8.780 0.966 ( 2.518 -0.721 1.993) 3.291 0.966 ( 2.518 0.721 1.993) 3.291 1.024 ( 2.335 -4.413 -3.067) 5.860 1.024 ( 2.335 4.413 -3.067) 5.860 1.249 ( 0.491 -1.595 -5.003) 5.274 1.249 ( 0.491 1.595 -5.003) 5.274 1.511 ( 3.254 -0.568 -0.222) 3.311 1.511 ( 3.254 0.568 -0.222) 3.311 1.700 ( 0.056 -2.092 2.665) 3.388 1.700 ( 0.056 2.092 2.665) 3.388 1.795 ( -2.693 -7.659 0.611) 8.141 1.795 ( -2.693 7.659 0.611) 8.141 1.878 ( -2.326 -5.284 0.355) 5.784 1.878 ( -2.326 5.284 0.355) 5.784 2.011 ( 0.474 -4.954 0.901) 5.057 2.011 ( 0.474 4.954 0.901) 5.057 2.045 ( 0.124 -2.733 -1.022) 2.921 2.045 ( 0.124 2.733 -1.022) 2.921 2.172 ( -0.063 -4.419 1.276) 4.600 2.172 ( -0.063 4.419 1.276) 4.600 2.295 ( 0.108 -3.017 1.434) 3.342 2.295 ( 0.108 3.017 1.434) 3.342 2.365 ( -1.196 -1.714 -1.020) 2.326 2.365 ( -1.196 1.714 -1.020) 2.326 2.591 ( 1.052 -3.397 -2.774) 4.510 2.591 ( 1.052 3.397 -2.774) 4.510 2.673 ( 2.688 -3.131 2.780) 4.975 2.673 ( 2.688 3.131 2.780) 4.975 2.849 ( 2.269 -2.368 -0.370) 3.300 2.849 ( 2.269 2.368 -0.370) 3.300 3.099 ( 1.100 -0.920 0.642) 1.571 3.099 ( 1.100 0.920 0.642) 1.571 3.245 ( 2.390 -1.458 -5.116) 5.832 3.245 ( 2.390 1.458 -5.116) 5.832 3.612 ( -3.049 -0.340 6.346) 7.049 3.612 ( -3.049 0.340 6.346) 7.049 3.891 ( -0.014 -0.826 -1.760) 1.945 3.891 ( -0.014 0.826 -1.760) 1.945 4.130 ( 0.310 -1.564 -0.432) 1.652 4.130 ( 0.310 1.564 -0.432) 1.652 4.321 ( -1.147 -1.135 0.559) 1.708 4.321 ( -1.147 1.135 0.559) 1.708 4.840 ( 2.221 -1.113 2.619) 3.610 4.840 ( 2.221 1.113 2.619) 3.610 4.937 ( -0.373 -2.963 -2.597) 3.958 4.937 ( -0.373 2.963 -2.597) 3.958 5.668 ( 0.150 -0.488 0.229) 0.559 5.668 ( 0.150 0.488 0.229) 0.559 5.779 ( -0.417 -0.327 -0.079) 0.536 5.779 ( -0.417 0.327 -0.079) 0.536 6.735 ( -1.904 -5.254 3.245) 6.462 6.735 ( -1.904 5.254 3.245) 6.462 6.918 ( -5.028 -2.868 -6.054) 8.376 6.918 ( -5.028 2.868 -6.054) 8.376 7.599 ( 1.112 -0.568 -0.007) 1.249 7.599 ( 1.112 0.568 -0.007) 1.249 7.634 ( -0.527 -1.441 -3.119) 3.476 7.634 ( -0.527 1.441 -3.119) 3.476 ======================= Grid point 91 (47/84) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 3.385 -4.753 0.802) 5.890 0.895 ( 3.385 4.753 0.802) 5.890 0.935 ( -1.654 -5.259 -4.012) 6.818 0.935 ( -1.654 5.259 -4.012) 6.818 1.092 ( 6.908 -3.162 -0.598) 7.621 1.092 ( 6.908 3.162 -0.598) 7.621 1.251 ( 2.355 -3.371 -1.015) 4.236 1.251 ( 2.355 3.371 -1.015) 4.236 1.494 ( -1.322 -3.365 -4.662) 5.900 1.494 ( -1.322 3.365 -4.662) 5.900 1.700 ( -1.973 -5.041 0.563) 5.443 1.700 ( -1.973 5.041 0.563) 5.443 1.780 ( -0.818 -3.300 1.936) 3.912 1.780 ( -0.818 3.300 1.936) 3.912 1.860 ( -1.079 -6.567 -0.382) 6.666 1.860 ( -1.079 6.567 -0.382) 6.666 2.003 ( -0.482 -0.248 0.259) 0.601 2.003 ( -0.482 0.248 0.259) 0.601 2.082 ( 3.246 -1.206 0.833) 3.561 2.082 ( 3.246 1.206 0.833) 3.561 2.203 ( 1.538 -4.908 3.331) 6.128 2.203 ( 1.538 4.908 3.331) 6.128 2.315 ( 0.104 -2.136 2.490) 3.282 2.315 ( 0.104 2.136 2.490) 3.282 2.368 ( 0.523 -2.175 0.791) 2.372 2.368 ( 0.523 2.175 0.791) 2.372 2.587 ( 1.310 -3.017 -2.594) 4.189 2.587 ( 1.310 3.017 -2.594) 4.189 2.725 ( 0.076 -3.549 2.049) 4.099 2.725 ( 0.076 3.549 2.049) 4.099 2.880 ( 3.186 -2.536 -2.305) 4.679 2.880 ( 3.186 2.536 -2.305) 4.679 3.124 ( 0.989 -0.750 -0.045) 1.242 3.124 ( 0.989 0.750 -0.045) 1.242 3.260 ( 3.634 -1.650 -3.271) 5.161 3.260 ( 3.634 1.650 -3.271) 5.161 3.603 ( -4.189 -0.995 5.664) 7.115 3.603 ( -4.189 0.995 5.664) 7.115 3.869 ( -0.200 -1.325 -2.281) 2.646 3.869 ( -0.200 1.325 -2.281) 2.646 4.126 ( 0.079 -2.755 -1.004) 2.933 4.126 ( 0.079 2.755 -1.004) 2.933 4.304 ( -1.523 -1.274 0.835) 2.154 4.304 ( -1.523 1.274 0.835) 2.154 4.865 ( 0.123 -2.680 -1.244) 2.957 4.865 ( 0.123 2.680 -1.244) 2.957 4.952 ( 2.443 -1.439 1.086) 3.036 4.952 ( 2.443 1.439 1.086) 3.036 5.672 ( 0.116 -0.810 0.029) 0.818 5.672 ( 0.116 0.810 0.029) 0.818 5.771 ( -0.487 -0.202 0.107) 0.538 5.771 ( -0.487 0.202 0.107) 0.538 6.660 ( -5.446 -6.078 -1.369) 8.275 6.660 ( -5.446 6.078 -1.369) 8.275 6.858 ( -1.337 -3.062 1.779) 3.785 6.858 ( -1.337 3.062 1.779) 3.785 7.581 ( -0.399 -0.306 -1.256) 1.353 7.581 ( -0.399 0.306 -1.256) 1.353 7.641 ( 1.268 -1.143 -0.237) 1.723 7.641 ( 1.268 1.143 -0.237) 1.723 ======================= Grid point 93 (48/84) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 2.438 -5.717 -0.566) 6.240 0.891 ( 2.438 5.717 -0.566) 6.240 0.946 ( 0.430 -3.511 -0.407) 3.560 0.946 ( 0.430 3.511 -0.407) 3.560 1.210 ( 5.548 -3.080 -0.215) 6.349 1.210 ( 5.548 3.080 -0.215) 6.349 1.292 ( 2.471 -2.002 0.776) 3.273 1.292 ( 2.471 2.002 0.776) 3.273 1.437 ( -0.434 -2.539 -1.859) 3.176 1.437 ( -0.434 2.539 -1.858) 3.176 1.672 ( -1.608 -8.847 0.909) 9.038 1.672 ( -1.608 8.847 0.909) 9.038 1.780 ( -0.613 -2.503 0.522) 2.629 1.780 ( -0.613 2.503 0.522) 2.629 1.833 ( -0.480 -4.223 -0.446) 4.273 1.833 ( -0.480 4.223 -0.446) 4.273 1.992 ( -1.559 -1.272 0.459) 2.064 1.992 ( -1.559 1.272 0.459) 2.064 2.134 ( 2.443 -2.931 -2.129) 4.369 2.134 ( 2.443 2.931 -2.129) 4.369 2.266 ( 1.110 -2.524 1.586) 3.181 2.266 ( 1.110 2.524 1.586) 3.181 2.322 ( -1.239 -1.066 -0.694) 1.776 2.322 ( -1.239 1.066 -0.694) 1.776 2.382 ( 0.183 -2.789 0.817) 2.912 2.382 ( 0.183 2.789 0.817) 2.912 2.595 ( 1.645 -1.218 -0.542) 2.117 2.595 ( 1.645 1.218 -0.542) 2.117 2.722 ( -1.984 -3.976 2.727) 5.213 2.722 ( -1.984 3.976 2.727) 5.213 2.924 ( 3.394 -2.253 -1.393) 4.305 2.924 ( 3.394 2.253 -1.393) 4.305 3.136 ( 1.034 -0.495 -0.781) 1.387 3.136 ( 1.034 0.495 -0.781) 1.387 3.296 ( 2.976 -1.413 -2.383) 4.066 3.296 ( 2.976 1.413 -2.383) 4.066 3.574 ( -4.648 -1.627 5.142) 7.120 3.574 ( -4.648 1.627 5.142) 7.120 3.847 ( 0.472 -1.958 -2.716) 3.381 3.847 ( 0.472 1.958 -2.716) 3.381 4.119 ( 0.391 -2.380 -0.987) 2.607 4.119 ( 0.391 2.380 -0.987) 2.607 4.285 ( -1.427 -1.692 0.844) 2.368 4.285 ( -1.427 1.692 0.844) 2.368 4.861 ( 0.841 -3.174 -0.724) 3.363 4.861 ( 0.841 3.174 -0.724) 3.363 4.997 ( 1.161 -1.130 0.710) 1.769 4.997 ( 1.161 1.130 0.710) 1.769 5.673 ( 0.071 -0.910 -0.100) 0.918 5.673 ( 0.071 0.910 -0.100) 0.918 5.764 ( -0.438 -0.178 0.007) 0.473 5.764 ( -0.438 0.178 0.007) 0.473 6.579 ( -2.264 -5.005 -0.464) 5.513 6.579 ( -2.264 5.005 -0.464) 5.513 6.843 ( -2.398 -3.581 1.507) 4.566 6.843 ( -2.398 3.581 1.507) 4.566 7.580 ( 0.296 -0.367 0.706) 0.849 7.580 ( 0.296 0.367 0.706) 0.849 7.657 ( 0.749 -1.640 -0.099) 1.805 7.657 ( 0.749 1.640 -0.099) 1.805 ======================= Grid point 95 (49/84) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.686 -3.656 1.378) 3.967 0.921 ( 0.686 3.656 1.378) 3.967 0.992 ( 2.262 -2.981 2.238) 4.360 0.992 ( 2.262 2.981 2.238) 4.360 1.238 ( -0.858 -2.256 -2.367) 3.381 1.238 ( -0.858 2.256 -2.367) 3.381 1.352 ( 0.523 -1.332 3.814) 4.073 1.352 ( 0.523 1.332 3.814) 4.073 1.475 ( 4.623 -3.238 2.616) 6.221 1.475 ( 4.623 3.238 2.616) 6.221 1.668 ( -0.041 -9.261 1.455) 9.375 1.668 ( -0.041 9.261 1.455) 9.375 1.767 ( -0.616 -1.819 0.052) 1.921 1.767 ( -0.616 1.819 0.052) 1.921 1.850 ( 1.461 -2.759 1.388) 3.417 1.850 ( 1.461 2.759 1.388) 3.417 1.963 ( -1.358 -1.786 -0.270) 2.260 1.963 ( -1.358 1.786 -0.270) 2.260 2.129 ( 0.039 -3.360 -3.778) 5.056 2.129 ( 0.039 3.360 -3.778) 5.056 2.212 ( -4.263 -1.767 -4.880) 6.716 2.212 ( -4.263 1.767 -4.880) 6.716 2.259 ( -2.554 -0.966 -5.047) 5.739 2.259 ( -2.554 0.966 -5.047) 5.739 2.394 ( -0.117 -1.822 1.966) 2.683 2.394 ( -0.117 1.822 1.966) 2.683 2.633 ( 2.001 -0.743 -0.001) 2.134 2.633 ( 2.001 0.743 -0.001) 2.134 2.730 ( -1.209 -4.309 5.016) 6.722 2.730 ( -1.209 4.309 5.016) 6.722 2.960 ( 1.391 -2.225 -0.533) 2.677 2.960 ( 1.391 2.225 -0.533) 2.677 3.149 ( 0.959 -0.359 -0.274) 1.059 3.149 ( 0.959 0.359 -0.274) 1.059 3.317 ( 2.384 -1.466 -2.923) 4.047 3.317 ( 2.384 1.466 -2.923) 4.047 3.537 ( -4.668 -2.040 4.833) 7.022 3.537 ( -4.668 2.040 4.833) 7.022 3.837 ( 1.408 -2.117 -2.847) 3.817 3.837 ( 1.408 2.117 -2.847) 3.817 4.124 ( 0.812 -1.466 -0.563) 1.768 4.124 ( 0.812 1.466 -0.563) 1.768 4.273 ( -0.564 -1.993 0.757) 2.205 4.273 ( -0.564 1.993 0.757) 2.205 4.878 ( 0.859 -2.929 0.378) 3.075 4.878 ( 0.859 2.929 0.378) 3.075 5.002 ( -0.748 -1.036 -0.203) 1.294 5.002 ( -0.748 1.036 -0.203) 1.294 5.673 ( 0.026 -0.792 -0.100) 0.798 5.673 ( 0.026 0.792 -0.100) 0.798 5.757 ( -0.134 -0.227 -0.224) 0.346 5.757 ( -0.134 0.227 -0.224) 0.346 6.570 ( 0.791 -3.484 0.692) 3.639 6.570 ( 0.791 3.484 0.692) 3.639 6.812 ( -1.219 -2.833 -0.049) 3.085 6.812 ( -1.219 2.833 -0.049) 3.085 7.597 ( 0.266 -0.139 1.620) 1.648 7.597 ( 0.266 0.139 1.620) 1.648 7.668 ( 0.382 -1.237 0.197) 1.309 7.668 ( 0.382 1.237 0.197) 1.309 ======================= Grid point 97 (50/84) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.731 -1.025 0.759) 1.470 0.958 ( 0.731 1.025 0.759) 1.470 0.982 ( -4.997 -0.196 0.649) 5.043 0.982 ( -4.997 0.196 0.649) 5.043 1.176 ( -2.753 -1.928 -1.535) 3.695 1.176 ( -2.753 1.928 -1.535) 3.695 1.385 ( -0.661 -1.345 3.986) 4.258 1.385 ( -0.661 1.345 3.986) 4.258 1.570 ( 2.598 -3.628 1.005) 4.574 1.570 ( 2.598 3.628 1.005) 4.574 1.657 ( -2.978 -3.166 -2.429) 4.980 1.657 ( -2.978 3.166 -2.429) 4.980 1.790 ( 0.054 -3.979 2.953) 4.955 1.790 ( 0.054 3.979 2.953) 4.955 1.854 ( -1.007 -2.318 0.502) 2.576 1.854 ( -1.007 2.318 0.502) 2.576 1.967 ( 0.860 -3.420 -0.314) 3.541 1.967 ( 0.860 3.420 -0.314) 3.541 2.066 ( -0.460 -4.021 -1.122) 4.200 2.066 ( -0.460 4.021 -1.122) 4.200 2.122 ( -0.296 -3.007 -3.423) 4.566 2.122 ( -0.296 3.007 -3.423) 4.566 2.192 ( 0.541 -2.592 -4.034) 4.825 2.192 ( 0.541 2.592 -4.034) 4.825 2.406 ( -0.518 -1.817 2.273) 2.956 2.406 ( -0.518 1.817 2.273) 2.956 2.643 ( -0.057 -1.835 -1.702) 2.503 2.643 ( -0.057 1.835 -1.702) 2.503 2.752 ( -1.886 -4.114 4.323) 6.259 2.752 ( -1.886 4.114 4.323) 6.259 2.954 ( -1.362 -2.637 -1.047) 3.147 2.954 ( -1.362 2.637 -1.047) 3.147 3.155 ( -0.786 -0.618 0.585) 1.159 3.155 ( -0.786 0.618 0.585) 1.159 3.332 ( 3.142 -0.652 -4.347) 5.403 3.332 ( 3.142 0.652 -4.347) 5.403 3.507 ( -4.038 -1.969 5.660) 7.226 3.507 ( -4.038 1.969 5.660) 7.226 3.843 ( 2.128 -1.893 -2.669) 3.903 3.843 ( 2.128 1.893 -2.669) 3.903 4.129 ( 0.335 -1.544 -0.785) 1.764 4.129 ( 0.335 1.544 -0.785) 1.764 4.281 ( 0.600 -1.542 0.790) 1.834 4.281 ( 0.600 1.542 0.790) 1.834 4.880 ( -1.191 -0.954 -0.485) 1.601 4.880 ( -1.191 0.954 -0.485) 1.601 4.984 ( -0.776 -1.750 0.588) 2.003 4.984 ( -0.776 1.750 0.588) 2.003 5.671 ( -0.169 -0.617 -0.144) 0.656 5.671 ( -0.169 0.617 -0.144) 0.656 5.758 ( 0.511 -0.362 -0.104) 0.635 5.758 ( 0.511 0.362 -0.104) 0.635 6.604 ( 2.155 -2.698 -0.070) 3.454 6.604 ( 2.155 2.698 -0.070) 3.454 6.826 ( 3.030 -1.124 1.255) 3.467 6.826 ( 3.030 1.124 1.255) 3.467 7.621 ( 0.648 -0.623 1.698) 1.921 7.621 ( 0.648 0.623 1.698) 1.921 7.671 ( -0.179 -0.461 0.131) 0.511 7.671 ( -0.179 0.461 0.131) 0.511 ======================= Grid point 99 (51/84) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -9.276 -2.737 -1.152) 9.739 0.839 ( -9.276 2.737 -1.152) 9.739 0.943 ( -2.447 -5.236 -1.345) 5.934 0.943 ( -2.447 5.236 -1.345) 5.934 1.128 ( -2.783 -1.083 0.814) 3.095 1.128 ( -2.783 1.083 0.814) 3.095 1.363 ( -3.647 -1.832 -2.667) 4.875 1.363 ( -3.647 1.832 -2.667) 4.875 1.506 ( -3.965 -6.990 -5.289) 9.621 1.506 ( -3.965 6.990 -5.289) 9.621 1.627 ( 1.112 -2.987 1.615) 3.573 1.627 ( 1.112 2.987 1.615) 3.573 1.794 ( 0.322 -3.729 1.531) 4.044 1.794 ( 0.322 3.729 1.531) 4.044 1.882 ( 0.598 -3.234 0.402) 3.314 1.882 ( 0.598 3.234 0.402) 3.314 1.966 ( 0.821 -5.976 1.031) 6.119 1.966 ( 0.821 5.976 1.031) 6.119 2.078 ( 0.180 -3.061 -0.476) 3.103 2.078 ( 0.180 3.061 -0.476) 3.103 2.155 ( 2.326 -3.210 2.763) 4.832 2.155 ( 2.326 3.210 2.763) 4.832 2.199 ( 2.594 -2.570 -0.501) 3.686 2.199 ( 2.594 2.570 -0.501) 3.686 2.430 ( 0.728 -3.097 2.055) 3.787 2.430 ( 0.728 3.097 2.055) 3.787 2.610 ( -1.258 -2.224 -1.736) 3.089 2.610 ( -1.258 2.224 -1.736) 3.089 2.734 ( -3.680 -3.568 2.126) 5.549 2.734 ( -3.680 3.568 2.126) 5.549 2.892 ( -3.819 -2.767 -1.820) 5.056 2.892 ( -3.819 2.767 -1.820) 5.056 3.132 ( -2.059 -0.669 0.477) 2.217 3.132 ( -2.059 0.669 0.477) 2.217 3.336 ( 2.275 -0.976 -5.835) 6.338 3.336 ( 2.275 0.976 -5.835) 6.338 3.511 ( -2.266 -0.936 7.228) 7.632 3.511 ( -2.266 0.936 7.228) 7.632 3.861 ( 2.467 -1.622 -2.249) 3.711 3.861 ( 2.467 1.622 -2.249) 3.711 4.123 ( 0.082 -2.148 -0.998) 2.370 4.123 ( 0.082 2.148 -0.998) 2.370 4.304 ( 0.974 -1.049 0.753) 1.618 4.304 ( 0.974 1.049 0.753) 1.618 4.828 ( -3.033 -1.082 -1.264) 3.460 4.828 ( -3.033 1.082 -1.264) 3.460 4.991 ( 0.213 -3.238 1.155) 3.444 4.991 ( 0.213 3.238 1.155) 3.444 5.666 ( -0.236 -0.419 -0.094) 0.490 5.666 ( -0.236 0.419 -0.094) 0.490 5.771 ( 0.785 -0.593 0.096) 0.988 5.771 ( 0.785 0.593 0.096) 0.988 6.634 ( 2.028 -3.187 -1.231) 3.973 6.634 ( 2.028 3.187 -1.231) 3.973 6.947 ( 7.487 -0.926 2.922) 8.090 6.947 ( 7.487 0.926 2.922) 8.090 7.626 ( -1.574 -0.781 -0.024) 1.757 7.626 ( -1.574 0.781 -0.024) 1.757 7.685 ( 1.838 -2.432 0.388) 3.073 7.685 ( 1.838 2.432 0.388) 3.073 ======================= Grid point 101 (52/84) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -6.970 -4.439 1.917) 8.483 0.682 ( -6.970 4.439 1.917) 8.483 0.865 ( -3.052 -10.645 -1.675) 11.200 0.865 ( -3.052 10.645 -1.675) 11.200 1.077 ( -3.061 -1.609 -0.847) 3.561 1.077 ( -3.061 1.609 -0.847) 3.561 1.295 ( 1.242 -0.735 -3.113) 3.431 1.295 ( 1.242 0.735 -3.113) 3.431 1.436 ( -1.737 -4.147 -1.299) 4.680 1.436 ( -1.737 4.147 -1.299) 4.680 1.660 ( 0.671 -4.273 1.920) 4.732 1.660 ( 0.671 4.273 1.920) 4.732 1.803 ( 0.183 -3.530 -0.021) 3.535 1.803 ( 0.183 3.530 -0.021) 3.535 1.916 ( 2.227 -4.033 0.867) 4.687 1.916 ( 2.227 4.033 0.867) 4.687 1.983 ( -0.255 -4.195 0.471) 4.229 1.983 ( -0.255 4.195 0.471) 4.229 2.074 ( 0.019 -3.184 -0.350) 3.203 2.074 ( 0.019 3.184 -0.350) 3.203 2.186 ( -1.107 -1.290 1.167) 2.062 2.186 ( -1.107 1.290 1.167) 2.062 2.265 ( 2.475 -3.175 2.501) 4.739 2.265 ( 2.475 3.175 2.501) 4.739 2.444 ( 0.038 -1.831 -0.762) 1.983 2.444 ( 0.038 1.831 -0.762) 1.983 2.585 ( -0.646 -2.977 -0.237) 3.056 2.585 ( -0.646 2.977 -0.237) 3.056 2.671 ( -3.637 -1.232 -0.082) 3.840 2.671 ( -3.637 1.232 -0.082) 3.840 2.812 ( -3.144 -2.241 -0.140) 3.864 2.812 ( -3.144 2.241 -0.140) 3.864 3.104 ( -1.431 -0.976 0.353) 1.768 3.104 ( -1.431 0.976 0.353) 1.768 3.305 ( 1.020 -1.410 -6.264) 6.501 3.305 ( 1.020 1.410 -6.264) 6.501 3.551 ( -1.377 -0.595 7.453) 7.603 3.551 ( -1.377 0.595 7.453) 7.603 3.884 ( 2.068 -1.240 -1.802) 3.010 3.884 ( 2.068 1.240 -1.802) 3.010 4.120 ( 0.486 -1.978 -0.572) 2.116 4.120 ( 0.486 1.978 -0.572) 2.116 4.325 ( 0.503 -1.065 0.629) 1.335 4.325 ( 0.503 1.065 0.629) 1.335 4.776 ( -1.681 -0.937 0.140) 1.930 4.776 ( -1.681 0.937 0.140) 1.930 4.998 ( -0.224 -3.292 -0.233) 3.308 4.998 ( -0.224 3.292 -0.233) 3.308 5.663 ( -0.106 -0.207 0.099) 0.253 5.663 ( -0.106 0.207 0.099) 0.253 5.783 ( 0.445 -0.576 0.013) 0.728 5.783 ( 0.445 0.576 0.013) 0.728 6.662 ( 1.964 -4.387 -0.053) 4.807 6.662 ( 1.964 4.387 -0.053) 4.807 7.090 ( 5.380 -2.407 -0.340) 5.904 7.090 ( 5.380 2.407 -0.340) 5.904 7.584 ( -1.987 -0.653 -0.858) 2.261 7.584 ( -1.987 0.653 -0.858) 2.261 7.713 ( 1.384 -4.020 -1.869) 4.645 7.713 ( 1.384 4.020 -1.869) 4.645 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 2.475 0.000 9.678) 9.989 0.532 ( 3.482 0.000 10.361) 10.930 0.650 ( -0.247 0.000 -3.121) 3.130 0.761 ( 4.198 0.000 -2.922) 5.115 0.847 ( 7.257 0.000 9.746) 12.151 1.022 ( -6.994 0.000 -3.556) 7.846 1.072 ( 3.968 0.000 3.180) 5.085 1.156 ( -4.160 0.000 -2.796) 5.012 1.269 ( -1.485 0.000 1.520) 2.125 1.341 ( 1.457 0.000 -2.901) 3.246 1.488 ( -1.155 0.000 -1.974) 2.287 1.524 ( -3.229 0.000 -5.075) 6.015 1.604 ( -0.192 0.000 2.035) 2.044 1.661 ( 0.441 0.000 -2.733) 2.769 1.792 ( 5.496 0.000 6.411) 8.445 1.908 ( -1.084 0.000 -2.530) 2.753 1.958 ( -1.745 0.000 0.386) 1.787 2.001 ( -1.288 0.000 -1.825) 2.234 2.046 ( 0.311 0.000 3.127) 3.143 2.125 ( -0.217 0.000 -3.695) 3.702 2.184 ( -0.777 0.000 0.737) 1.070 2.190 ( 1.554 0.000 1.058) 1.880 2.361 ( -2.627 0.000 0.055) 2.628 2.400 ( 2.912 0.000 -2.481) 3.826 2.444 ( -0.619 0.000 1.009) 1.184 2.474 ( 0.685 0.000 -2.186) 2.291 2.690 ( 2.096 0.000 3.571) 4.141 2.697 ( -2.705 0.000 0.665) 2.786 2.744 ( 0.408 0.000 1.102) 1.175 2.831 ( 0.063 0.000 -5.820) 5.820 2.874 ( -0.021 0.000 3.432) 3.432 2.921 ( 0.188 0.000 -0.690) 0.715 3.120 ( -2.821 0.000 -0.214) 2.829 3.129 ( 3.186 0.000 -1.437) 3.495 3.262 ( 4.094 0.000 -1.263) 4.285 3.271 ( -4.659 0.000 -2.182) 5.145 3.712 ( -2.578 0.000 4.392) 5.092 3.713 ( -1.069 0.000 3.609) 3.765 3.821 ( 1.210 0.000 -0.835) 1.471 3.845 ( 1.455 0.000 -2.573) 2.955 4.175 ( 0.224 0.000 2.272) 2.283 4.219 ( -0.033 0.000 -1.665) 1.666 4.325 ( 1.360 0.000 0.844) 1.600 4.340 ( -0.817 0.000 -0.707) 1.081 4.804 ( 1.918 0.000 2.464) 3.122 4.859 ( -1.981 0.000 -2.732) 3.374 4.931 ( 0.415 0.000 5.576) 5.591 5.043 ( -0.394 0.000 -5.219) 5.234 5.654 ( 0.707 0.000 0.301) 0.768 5.659 ( -0.786 0.000 -0.209) 0.813 5.776 ( 1.191 0.000 0.421) 1.263 5.790 ( -0.890 0.000 -0.837) 1.222 6.344 ( -3.939 0.000 -0.036) 3.940 6.355 ( 5.074 0.000 -1.200) 5.213 6.978 ( 2.258 0.000 8.399) 8.698 7.143 ( -2.891 0.000 -7.668) 8.195 7.557 ( 0.634 0.000 0.267) 0.688 7.570 ( -0.983 0.000 -0.994) 1.398 7.614 ( 1.740 0.000 1.567) 2.342 7.640 ( -1.333 0.000 -0.965) 1.646 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.446 0.000 -13.911) 13.918 0.592 ( 2.423 0.000 -3.670) 4.398 0.690 ( 1.474 0.000 7.537) 7.680 0.708 ( 5.208 0.000 -2.099) 5.615 0.877 ( 1.540 0.000 -5.337) 5.555 1.056 ( -1.752 0.000 -4.574) 4.898 1.130 ( 8.312 0.000 3.919) 9.189 1.221 ( 5.450 0.000 1.772) 5.731 1.293 ( -0.290 0.000 2.949) 2.963 1.308 ( 0.319 0.000 -1.939) 1.965 1.479 ( -0.257 0.000 0.441) 0.511 1.502 ( 1.959 0.000 4.426) 4.840 1.611 ( -1.537 0.000 1.843) 2.400 1.627 ( -0.920 0.000 -0.294) 0.966 1.805 ( -0.770 0.000 -5.268) 5.324 1.924 ( 2.018 0.000 -0.501) 2.079 1.993 ( 0.035 0.000 -1.604) 1.604 2.006 ( 1.475 0.000 2.930) 3.281 2.059 ( 1.200 0.000 0.509) 1.303 2.070 ( -1.754 0.000 3.072) 3.538 2.184 ( -0.387 0.000 -0.891) 0.972 2.186 ( -1.617 0.000 -1.384) 2.128 2.347 ( 0.143 0.000 2.220) 2.224 2.352 ( -3.453 0.000 0.037) 3.454 2.468 ( 0.185 0.000 -2.349) 2.356 2.489 ( 3.787 0.000 0.790) 3.869 2.684 ( -1.764 0.000 -1.603) 2.384 2.729 ( -0.568 0.000 1.899) 1.982 2.755 ( -0.765 0.000 -1.857) 2.008 2.786 ( 2.021 0.000 0.960) 2.237 2.912 ( 0.903 0.000 2.911) 3.048 2.935 ( 3.053 0.000 -3.248) 4.458 3.089 ( -0.048 0.000 0.442) 0.444 3.180 ( 0.982 0.000 -1.063) 1.447 3.199 ( -0.261 0.000 -0.560) 0.618 3.331 ( 3.522 0.000 0.623) 3.576 3.712 ( -1.408 0.000 3.405) 3.685 3.715 ( -2.860 0.000 3.871) 4.812 3.809 ( -1.513 0.000 -1.177) 1.917 3.835 ( 1.197 0.000 -4.062) 4.235 4.182 ( -1.637 0.000 1.455) 2.190 4.184 ( -1.549 0.000 -2.008) 2.536 4.302 ( -2.123 0.000 -0.924) 2.315 4.346 ( 0.105 0.000 0.385) 0.399 4.803 ( -1.330 0.000 -2.406) 2.750 4.872 ( 2.670 0.000 2.382) 3.578 4.994 ( 0.648 0.000 -5.248) 5.288 4.999 ( 1.157 0.000 5.265) 5.390 5.643 ( -0.730 0.000 -0.270) 0.778 5.671 ( 0.890 0.000 0.477) 1.010 5.762 ( -1.219 0.000 -0.948) 1.544 5.798 ( 0.801 0.000 0.442) 0.915 6.298 ( -0.635 0.000 0.199) 0.666 6.447 ( 6.256 0.000 -1.698) 6.483 7.004 ( -4.207 0.000 -7.223) 8.359 7.078 ( -0.282 0.000 8.244) 8.249 7.554 ( -0.033 0.000 -0.321) 0.322 7.576 ( 0.797 0.000 0.804) 1.132 7.608 ( -0.921 0.000 -1.459) 1.725 7.658 ( 1.607 0.000 0.889) 1.837 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 9.759 0.000 -8.296) 12.809 0.522 ( 3.745 0.000 -11.959) 12.532 0.793 ( -0.357 0.000 7.825) 7.833 0.896 ( 8.437 0.000 5.440) 10.038 0.912 ( 8.391 0.000 -8.519) 11.958 1.023 ( 1.713 0.000 -3.348) 3.761 1.216 ( 1.322 0.000 -1.598) 2.074 1.216 ( -1.383 0.000 -0.857) 1.627 1.304 ( 1.370 0.000 2.300) 2.677 1.403 ( 4.412 0.000 3.653) 5.728 1.450 ( -2.234 0.000 -3.049) 3.780 1.508 ( -2.953 0.000 1.745) 3.429 1.624 ( 1.987 0.000 2.712) 3.362 1.668 ( 0.674 0.000 -0.082) 0.679 1.815 ( 3.461 0.000 -1.519) 3.779 1.925 ( 1.762 0.000 -4.173) 4.529 1.980 ( 1.486 0.000 4.921) 5.140 2.026 ( -1.882 0.000 1.812) 2.613 2.036 ( -3.507 0.000 -0.162) 3.511 2.127 ( -1.515 0.000 0.107) 1.519 2.166 ( 1.031 0.000 0.907) 1.373 2.169 ( 3.342 0.000 -0.733) 3.421 2.351 ( -0.621 0.000 4.614) 4.655 2.359 ( -1.214 0.000 -0.250) 1.239 2.482 ( 4.315 0.000 -0.380) 4.332 2.543 ( -0.835 0.000 -4.372) 4.450 2.596 ( 0.121 0.000 -1.400) 1.405 2.644 ( -7.006 0.000 -2.988) 7.617 2.778 ( 1.421 0.000 1.846) 2.330 2.854 ( 4.135 0.000 -0.017) 4.135 2.957 ( 0.198 0.000 3.843) 3.848 2.961 ( 3.970 0.000 -5.324) 6.641 3.125 ( 1.973 0.000 2.016) 2.821 3.154 ( -0.485 0.000 0.784) 0.922 3.234 ( 1.890 0.000 -0.579) 1.977 3.365 ( -0.454 0.000 -0.762) 0.887 3.680 ( -4.960 0.000 3.860) 6.284 3.725 ( -0.165 0.000 1.854) 1.861 3.752 ( -3.417 0.000 -0.994) 3.558 3.821 ( 2.006 0.000 -4.883) 5.279 4.136 ( -1.646 0.000 -1.969) 2.567 4.147 ( -2.323 0.000 -0.384) 2.355 4.263 ( -1.575 0.000 0.219) 1.590 4.335 ( -0.999 0.000 -0.655) 1.195 4.776 ( 0.004 0.000 -0.647) 0.647 4.928 ( 1.592 0.000 0.704) 1.741 4.977 ( 2.386 0.000 -3.655) 4.365 5.058 ( 0.433 0.000 3.961) 3.984 5.630 ( -0.516 0.000 -0.175) 0.545 5.694 ( 1.059 0.000 -0.088) 1.063 5.734 ( -0.993 0.000 0.030) 0.993 5.812 ( 0.373 0.000 0.276) 0.464 6.346 ( 3.893 0.000 3.860) 5.482 6.531 ( 5.244 0.000 -2.531) 5.823 6.881 ( -2.562 0.000 -5.310) 5.896 7.108 ( -3.720 0.000 5.396) 6.554 7.562 ( 0.813 0.000 0.285) 0.862 7.588 ( 0.090 0.000 -0.665) 0.671 7.593 ( 0.173 0.000 0.707) 0.728 7.683 ( 0.692 0.000 0.146) 0.707 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 10.816 0.000 -5.872) 12.307 0.753 ( 15.853 0.000 7.308) 17.456 0.808 ( -2.958 0.000 3.844) 4.850 0.977 ( 3.644 0.000 -3.482) 5.040 0.993 ( -0.792 0.000 -3.784) 3.866 1.070 ( 5.897 0.000 4.650) 7.510 1.222 ( 2.570 0.000 1.258) 2.861 1.262 ( 3.127 0.000 2.770) 4.177 1.330 ( -1.269 0.000 -0.782) 1.491 1.378 ( -1.714 0.000 -3.418) 3.823 1.493 ( 2.621 0.000 2.093) 3.354 1.501 ( -1.127 0.000 4.184) 4.334 1.667 ( 1.622 0.000 0.209) 1.635 1.702 ( 3.160 0.000 2.277) 3.895 1.833 ( 1.092 0.000 -3.659) 3.819 1.904 ( 0.546 0.000 -4.526) 4.559 1.946 ( -4.974 0.000 -0.327) 4.985 2.026 ( 0.267 0.000 0.771) 0.815 2.040 ( 0.214 0.000 -0.153) 0.263 2.100 ( -1.443 0.000 1.644) 2.188 2.216 ( -0.351 0.000 0.841) 0.912 2.217 ( 2.423 0.000 1.476) 2.837 2.320 ( -1.572 0.000 -1.708) 2.321 2.321 ( -5.052 0.000 -1.599) 5.299 2.439 ( -0.121 0.000 -5.479) 5.481 2.484 ( -6.585 0.000 -2.617) 7.086 2.587 ( 5.737 0.000 0.878) 5.804 2.654 ( 1.891 0.000 2.412) 3.065 2.828 ( 1.887 0.000 2.537) 3.162 2.906 ( 1.834 0.000 -0.548) 1.914 2.984 ( 4.725 0.000 -4.959) 6.850 2.987 ( -1.086 0.000 4.009) 4.153 3.168 ( 0.290 0.000 2.075) 2.095 3.185 ( 1.797 0.000 1.824) 2.561 3.241 ( -0.064 0.000 -1.172) 1.173 3.317 ( -0.873 0.000 -4.360) 4.446 3.627 ( -4.689 0.000 3.817) 6.046 3.685 ( -2.592 0.000 -1.040) 2.793 3.733 ( -0.760 0.000 1.437) 1.626 3.811 ( 1.990 0.000 -4.930) 5.317 4.097 ( -0.766 0.000 -1.259) 1.474 4.111 ( -1.287 0.000 -0.410) 1.351 4.254 ( -0.179 0.000 0.994) 1.010 4.309 ( -0.929 0.000 -0.798) 1.224 4.792 ( 1.474 0.000 1.206) 1.905 4.935 ( -0.516 0.000 -1.239) 1.342 5.010 ( 3.659 0.000 -1.338) 3.896 5.082 ( -1.202 0.000 2.324) 2.616 5.624 ( 0.021 0.000 0.079) 0.082 5.680 ( -1.033 0.000 -1.510) 1.830 5.750 ( 1.101 0.000 1.666) 1.997 5.815 ( -0.193 0.000 -0.156) 0.248 6.468 ( 2.537 0.000 6.622) 7.091 6.583 ( 3.761 0.000 -3.176) 4.923 6.834 ( 1.877 0.000 -2.298) 2.967 7.050 ( -6.154 0.000 1.363) 6.303 7.576 ( 0.472 0.000 0.220) 0.521 7.594 ( -0.310 0.000 0.073) 0.319 7.604 ( 1.226 0.000 1.124) 1.663 7.685 ( -0.178 0.000 -0.622) 0.647 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -10.566 0.000 2.353) 10.825 0.738 ( 9.049 0.000 -1.189) 9.127 0.935 ( -0.173 0.000 -0.947) 0.962 0.953 ( 1.342 0.000 -2.794) 3.100 1.130 ( 10.992 0.000 6.316) 12.678 1.204 ( 1.078 0.000 2.999) 3.187 1.250 ( -3.842 0.000 -0.220) 3.848 1.293 ( 2.488 0.000 -0.117) 2.491 1.314 ( -0.984 0.000 0.408) 1.065 1.328 ( -1.910 0.000 -1.666) 2.534 1.493 ( -2.209 0.000 1.039) 2.441 1.511 ( -0.412 0.000 -1.022) 1.102 1.729 ( 1.225 0.000 3.716) 3.912 1.791 ( 2.403 0.000 4.400) 5.013 1.816 ( 1.086 0.000 -0.337) 1.137 1.867 ( -2.810 0.000 -1.076) 3.009 1.876 ( 0.479 0.000 -1.917) 1.976 1.985 ( -3.751 0.000 -9.249) 9.981 2.043 ( 0.270 0.000 1.489) 1.513 2.064 ( -0.775 0.000 -0.731) 1.065 2.145 ( -5.233 0.000 4.281) 6.761 2.252 ( 4.667 0.000 -5.295) 7.059 2.302 ( 2.730 0.000 1.389) 3.063 2.310 ( -0.750 0.000 1.981) 2.119 2.365 ( -4.305 0.000 -0.627) 4.350 2.415 ( 1.260 0.000 -4.220) 4.404 2.673 ( -1.619 0.000 0.709) 1.767 2.677 ( 3.025 0.000 0.459) 3.059 2.880 ( 0.529 0.000 2.783) 2.833 2.906 ( -1.848 0.000 0.144) 1.854 2.979 ( -3.121 0.000 2.025) 3.720 3.038 ( 5.103 0.000 -3.388) 6.126 3.186 ( 0.412 0.000 1.770) 1.818 3.211 ( -0.663 0.000 0.212) 0.696 3.236 ( 1.423 0.000 -0.980) 1.728 3.275 ( 0.232 0.000 -3.990) 3.997 3.596 ( -2.883 0.000 4.367) 5.233 3.649 ( -1.014 0.000 0.440) 1.105 3.731 ( -0.484 0.000 0.910) 1.031 3.800 ( 1.860 0.000 -4.535) 4.901 4.089 ( 0.620 0.000 -0.317) 0.697 4.090 ( -0.673 0.000 -0.417) 0.791 4.271 ( 0.951 0.000 0.927) 1.328 4.288 ( -0.609 0.000 -0.832) 1.031 4.844 ( 2.233 0.000 2.292) 3.200 4.891 ( -2.225 0.000 -2.344) 3.232 5.058 ( -3.235 0.000 0.914) 3.361 5.069 ( 3.441 0.000 -0.245) 3.450 5.633 ( 0.692 0.000 0.487) 0.846 5.649 ( -0.927 0.000 -1.103) 1.441 5.784 ( 1.002 0.000 1.225) 1.583 5.803 ( -0.675 0.000 -0.688) 0.964 6.524 ( -1.970 0.000 4.869) 5.252 6.611 ( 2.997 0.000 -3.610) 4.692 6.909 ( 6.489 0.000 0.997) 6.565 6.930 ( -7.197 0.000 -0.875) 7.250 7.584 ( 0.190 0.000 0.237) 0.304 7.588 ( -0.307 0.000 -0.116) 0.329 7.639 ( 1.059 0.000 1.543) 1.871 7.668 ( -0.817 0.000 -1.206) 1.457 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -13.621 0.000 1.099) 13.666 0.771 ( -4.960 0.000 3.615) 6.137 0.920 ( -1.284 0.000 1.494) 1.970 0.952 ( -12.426 0.000 -10.713) 16.407 1.030 ( 1.364 0.000 -5.013) 5.196 1.189 ( -6.045 0.000 -5.364) 8.082 1.238 ( -2.864 0.000 -0.264) 2.876 1.286 ( -1.807 0.000 2.479) 3.067 1.310 ( -0.109 0.000 3.180) 3.182 1.320 ( 2.332 0.000 -1.107) 2.582 1.493 ( -0.370 0.000 2.162) 2.194 1.527 ( 1.790 0.000 1.170) 2.139 1.726 ( -4.173 0.000 -4.460) 6.108 1.732 ( -3.709 0.000 3.387) 5.023 1.800 ( -3.606 0.000 -5.199) 6.327 1.837 ( -0.991 0.000 1.354) 1.678 1.948 ( 5.146 0.000 -0.793) 5.207 1.958 ( 3.683 0.000 7.645) 8.486 2.048 ( -0.459 0.000 -0.945) 1.050 2.070 ( 1.317 0.000 2.037) 2.426 2.166 ( 1.280 0.000 4.969) 5.131 2.275 ( -1.257 0.000 -1.849) 2.236 2.319 ( 6.213 0.000 -2.766) 6.801 2.341 ( -0.108 0.000 -2.612) 2.614 2.357 ( 0.707 0.000 2.938) 3.022 2.441 ( 5.036 0.000 1.009) 5.136 2.613 ( -4.752 0.000 -1.162) 4.892 2.696 ( -0.347 0.000 -1.459) 1.500 2.845 ( -5.112 0.000 1.330) 5.282 2.888 ( -1.754 0.000 1.551) 2.341 2.925 ( -3.701 0.000 0.181) 3.706 3.069 ( 1.392 0.000 -3.273) 3.556 3.202 ( -1.413 0.000 1.066) 1.771 3.216 ( 2.085 0.000 -2.176) 3.014 3.239 ( -0.445 0.000 1.422) 1.490 3.251 ( 1.567 0.000 -3.205) 3.568 3.608 ( -0.955 0.000 5.179) 5.267 3.658 ( 0.190 0.000 2.787) 2.794 3.735 ( 0.356 0.000 0.222) 0.419 3.797 ( 2.142 0.000 -3.652) 4.234 4.083 ( 0.288 0.000 0.068) 0.296 4.110 ( 1.787 0.000 -0.105) 1.790 4.274 ( 0.014 0.000 -0.982) 0.982 4.297 ( 1.140 0.000 0.319) 1.184 4.826 ( -2.441 0.000 -2.063) 3.196 4.901 ( 1.600 0.000 2.053) 2.603 4.991 ( -4.669 0.000 0.540) 4.700 5.115 ( 2.056 0.000 -0.816) 2.212 5.631 ( -0.215 0.000 -0.589) 0.627 5.656 ( 0.939 0.000 0.941) 1.329 5.780 ( -0.813 0.000 -1.243) 1.485 5.807 ( 0.570 0.000 0.672) 0.881 6.514 ( -3.379 0.000 3.752) 5.049 6.609 ( 0.891 0.000 -6.252) 6.315 6.804 ( -5.498 0.000 0.481) 5.519 7.049 ( 7.443 0.000 1.271) 7.551 7.581 ( -0.429 0.000 -0.174) 0.463 7.590 ( 0.199 0.000 0.461) 0.502 7.634 ( -1.471 0.000 -1.612) 2.182 7.666 ( 0.461 0.000 1.217) 1.301 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -8.606 0.000 6.995) 11.090 0.503 ( -21.175 0.000 -10.231) 23.517 0.705 ( -9.312 0.000 9.827) 13.538 0.902 ( -5.585 0.000 4.212) 6.995 0.950 ( -4.319 0.000 -6.783) 8.041 1.032 ( -4.374 0.000 -4.539) 6.304 1.214 ( 0.068 0.000 -0.245) 0.254 1.215 ( -3.945 0.000 -0.670) 4.002 1.347 ( 0.460 0.000 -1.705) 1.766 1.373 ( 2.119 0.000 4.171) 4.678 1.472 ( -0.859 0.000 -2.673) 2.808 1.559 ( 1.407 0.000 -1.932) 2.390 1.635 ( -1.824 0.000 0.877) 2.024 1.680 ( -2.533 0.000 -2.754) 3.742 1.759 ( -1.381 0.000 3.955) 4.189 1.845 ( -0.515 0.000 2.858) 2.904 2.018 ( 1.896 0.000 0.231) 1.910 2.024 ( -0.398 0.000 2.007) 2.046 2.057 ( 3.319 0.000 -0.876) 3.433 2.123 ( 0.975 0.000 1.510) 1.797 2.198 ( -0.965 0.000 -0.699) 1.191 2.203 ( -4.229 0.000 -3.131) 5.262 2.343 ( 2.113 0.000 0.966) 2.323 2.415 ( 2.340 0.000 1.849) 2.982 2.424 ( 6.312 0.000 0.184) 6.315 2.484 ( -6.082 0.000 -0.843) 6.140 2.563 ( 5.381 0.000 3.364) 6.346 2.637 ( -3.416 0.000 -3.237) 4.706 2.779 ( -3.729 0.000 2.160) 4.309 2.855 ( -2.876 0.000 0.097) 2.878 2.874 ( -2.928 0.000 2.216) 3.672 3.036 ( -1.072 0.000 -3.330) 3.498 3.171 ( -1.369 0.000 -0.210) 1.385 3.184 ( -1.038 0.000 -3.930) 4.065 3.250 ( 0.442 0.000 -2.489) 2.528 3.320 ( 4.770 0.000 4.234) 6.378 3.649 ( -0.405 0.000 5.358) 5.373 3.697 ( -1.088 0.000 6.099) 6.195 3.749 ( 2.423 0.000 -1.978) 3.127 3.809 ( 2.633 0.000 -2.911) 3.925 4.103 ( 1.301 0.000 0.988) 1.633 4.142 ( 2.157 0.000 -0.433) 2.200 4.273 ( 0.874 0.000 -0.659) 1.095 4.316 ( 0.566 0.000 0.689) 0.892 4.778 ( -1.238 0.000 -0.721) 1.433 4.919 ( -4.293 0.000 1.991) 4.732 4.929 ( 0.005 0.000 0.567) 0.567 5.123 ( 0.575 0.000 -2.281) 2.352 5.629 ( 0.429 0.000 -0.181) 0.466 5.677 ( 0.183 0.000 1.076) 1.092 5.754 ( -0.378 0.000 -1.539) 1.585 5.815 ( 0.006 0.000 0.042) 0.042 6.478 ( -4.123 0.000 2.795) 4.981 6.485 ( -5.439 0.000 -9.817) 11.223 6.784 ( 0.268 0.000 4.116) 4.125 7.176 ( 6.210 0.000 -1.172) 6.320 7.570 ( -0.576 0.000 -0.315) 0.657 7.591 ( -1.608 0.000 -1.025) 1.907 7.602 ( 0.561 0.000 0.163) 0.584 7.678 ( -0.180 0.000 0.733) 0.754 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 2.258 0.000 14.722) 14.894 0.360 ( 1.209 0.000 13.400) 13.454 0.640 ( -8.290 0.000 12.514) 15.011 0.765 ( -8.579 0.000 -1.694) 8.745 0.853 ( -0.524 0.000 -3.854) 3.890 0.987 ( -0.010 0.000 1.617) 1.617 1.161 ( -3.576 0.000 -0.229) 3.583 1.204 ( -1.461 0.000 0.654) 1.601 1.328 ( 1.116 0.000 -2.065) 2.347 1.354 ( -4.899 0.000 -2.395) 5.454 1.491 ( 3.806 0.000 -1.153) 3.977 1.571 ( 2.130 0.000 -1.629) 2.682 1.632 ( -2.829 0.000 1.198) 3.072 1.642 ( 0.943 0.000 -0.870) 1.284 1.746 ( -2.474 0.000 0.774) 2.592 1.874 ( 0.696 0.000 3.065) 3.143 2.001 ( -0.811 0.000 -2.250) 2.391 2.036 ( -0.628 0.000 -0.054) 0.630 2.092 ( -4.807 0.000 -0.586) 4.843 2.110 ( 2.745 0.000 -0.956) 2.907 2.147 ( 1.089 0.000 0.286) 1.126 2.186 ( 1.653 0.000 -1.323) 2.117 2.380 ( 0.646 0.000 -0.685) 0.942 2.411 ( -0.217 0.000 -3.919) 3.925 2.416 ( -0.259 0.000 2.616) 2.629 2.510 ( -1.569 0.000 -0.957) 1.838 2.592 ( 2.926 0.000 3.582) 4.626 2.742 ( 8.013 0.000 3.038) 8.569 2.751 ( -1.632 0.000 1.332) 2.107 2.783 ( -3.959 0.000 -0.517) 3.992 2.858 ( -1.991 0.000 3.589) 4.104 2.975 ( -2.326 0.000 -3.265) 4.009 3.131 ( -0.369 0.000 -3.714) 3.732 3.159 ( -1.215 0.000 0.956) 1.546 3.229 ( 1.301 0.000 -3.110) 3.371 3.377 ( -1.577 0.000 -3.342) 3.695 3.687 ( -0.436 0.000 4.582) 4.603 3.715 ( -2.933 0.000 5.736) 6.442 3.788 ( 3.354 0.000 -1.528) 3.686 3.831 ( 2.479 0.000 -2.287) 3.373 4.141 ( 1.271 0.000 1.794) 2.199 4.195 ( 3.411 0.000 0.376) 3.431 4.293 ( 1.516 0.000 0.177) 1.526 4.336 ( 0.484 0.000 1.397) 1.479 4.770 ( 0.284 0.000 0.724) 0.777 4.893 ( -1.777 0.000 4.372) 4.719 4.912 ( -1.446 0.000 -1.393) 2.007 5.095 ( -0.346 0.000 -3.962) 3.977 5.640 ( 0.683 0.000 0.086) 0.688 5.675 ( -0.889 0.000 0.129) 0.898 5.752 ( 0.997 0.000 0.047) 0.999 5.808 ( -0.502 0.000 -0.504) 0.711 6.332 ( -1.825 0.000 -3.527) 3.972 6.418 ( -4.701 0.000 1.283) 4.873 6.862 ( 2.408 0.000 6.599) 7.025 7.221 ( 1.831 0.000 -5.491) 5.788 7.553 ( -0.404 0.000 -0.224) 0.462 7.580 ( 0.343 0.000 1.060) 1.114 7.598 ( -0.540 0.000 -1.296) 1.404 7.669 ( -1.126 0.000 -0.212) 1.145 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 1.232 5.518 8.614) 10.304 0.669 ( 2.369 3.144 -2.162) 4.491 0.691 ( 6.380 9.693 8.905) 14.627 0.901 ( -1.075 9.920 -6.390) 11.849 0.945 ( 4.585 10.134 6.604) 12.936 1.010 ( -4.662 -1.181 -0.802) 4.875 1.081 ( 3.728 1.386 3.552) 5.333 1.144 ( -2.384 -0.330 -1.894) 3.063 1.272 ( -2.766 0.702 -0.828) 2.971 1.318 ( 0.502 -0.445 -3.543) 3.606 1.528 ( 1.301 4.845 2.471) 5.592 1.614 ( -3.240 5.816 -3.384) 7.468 1.640 ( 0.234 3.896 -0.516) 3.937 1.682 ( 0.284 1.963 -2.152) 2.927 1.826 ( 3.141 3.403 5.059) 6.858 1.926 ( -0.708 1.644 -1.692) 2.463 1.961 ( -0.538 -0.009 -0.065) 0.542 2.006 ( -2.715 0.339 -1.927) 3.347 2.063 ( 1.016 1.048 2.153) 2.601 2.121 ( -1.158 -0.233 -2.343) 2.624 2.173 ( -0.370 -0.705 1.021) 1.295 2.185 ( 1.259 -0.531 0.794) 1.580 2.345 ( 0.201 -2.090 -0.036) 2.100 2.387 ( 0.035 -1.098 -2.101) 2.371 2.430 ( -1.038 -1.279 0.419) 1.700 2.449 ( 1.294 -2.202 -1.364) 2.896 2.646 ( -2.347 -3.363 1.446) 4.349 2.676 ( 1.511 -2.984 -0.001) 3.345 2.723 ( 1.833 -1.870 2.122) 3.371 2.780 ( -2.287 -4.501 -2.896) 5.820 2.856 ( 1.041 -1.443 3.046) 3.527 2.903 ( 0.489 -1.685 -0.851) 1.950 3.112 ( 1.199 -0.714 0.683) 1.554 3.127 ( -1.814 -0.542 -0.350) 1.925 3.214 ( -2.271 -3.537 -0.641) 4.251 3.241 ( 3.438 -1.948 -2.960) 4.937 3.700 ( -1.461 -0.426 4.567) 4.814 3.717 ( -2.075 0.171 3.890) 4.412 3.823 ( 1.230 0.268 -1.107) 1.676 3.853 ( 1.517 0.502 -2.841) 3.259 4.159 ( -0.515 -1.309 0.985) 1.717 4.175 ( 1.122 -2.677 -0.489) 2.944 4.340 ( -0.870 0.305 0.844) 1.250 4.354 ( 0.663 0.634 -0.685) 1.145 4.806 ( 2.020 0.250 2.592) 3.296 4.861 ( -1.837 0.202 -2.568) 3.164 4.917 ( 0.751 -1.253 5.243) 5.443 5.024 ( -0.742 -1.930 -4.908) 5.326 5.658 ( 0.669 0.414 0.211) 0.814 5.661 ( -0.692 0.184 -0.044) 0.717 5.775 ( 0.652 0.039 0.452) 0.795 5.788 ( -0.596 -0.126 -0.787) 0.995 6.448 ( 2.893 9.124 2.707) 9.947 6.571 ( -4.301 16.293 -10.689) 19.955 6.948 ( 2.200 -2.918 7.573) 8.409 7.100 ( -2.797 -4.124 -7.151) 8.716 7.558 ( 0.313 0.431 0.334) 0.629 7.572 ( 0.097 0.006 -0.971) 0.976 7.609 ( 1.723 -0.594 1.488) 2.353 7.638 ( -1.662 0.002 -1.462) 2.214 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.504 6.726 -11.538) 13.364 0.678 ( 6.571 1.573 4.595) 8.171 0.714 ( -0.955 5.924 -9.039) 10.849 0.861 ( 1.233 12.321 4.801) 13.281 0.958 ( 0.520 7.349 -2.571) 7.803 1.071 ( -1.393 1.869 -3.667) 4.345 1.101 ( 6.036 -2.441 1.273) 6.634 1.195 ( 4.182 -1.784 0.701) 4.600 1.286 ( 1.021 1.481 2.373) 2.978 1.312 ( 1.769 0.403 0.273) 1.835 1.535 ( -1.235 5.745 -3.111) 6.649 1.589 ( 1.586 6.249 4.917) 8.108 1.632 ( -2.267 2.653 -0.002) 3.490 1.652 ( -0.622 2.228 1.333) 2.670 1.856 ( 0.116 4.425 -4.085) 6.024 1.948 ( 2.150 2.147 -0.944) 3.181 1.974 ( 1.636 -1.023 1.565) 2.484 2.020 ( 1.275 -0.378 3.771) 3.998 2.047 ( -1.878 -0.315 -0.570) 1.988 2.101 ( 0.372 2.769 2.238) 3.580 2.169 ( -0.909 -1.549 -1.528) 2.358 2.190 ( -0.221 -0.151 -0.220) 0.346 2.305 ( -1.915 -2.132 -0.446) 2.900 2.376 ( -1.439 0.725 1.291) 2.065 2.443 ( 0.563 -2.384 -0.756) 2.564 2.469 ( 3.397 -1.887 0.015) 3.886 2.636 ( -1.545 -4.237 1.658) 4.805 2.693 ( -0.861 -3.417 -3.872) 5.235 2.729 ( 1.194 -2.418 1.911) 3.306 2.779 ( 1.271 -0.469 0.541) 1.459 2.882 ( 1.202 -2.920 -0.010) 3.158 2.925 ( 2.812 -1.359 -1.248) 3.363 3.094 ( -0.273 0.380 0.472) 0.665 3.152 ( -0.203 -2.084 0.338) 2.121 3.193 ( 1.626 -0.465 -0.196) 1.702 3.285 ( 3.616 -3.886 -1.950) 5.655 3.706 ( -2.791 -0.528 3.932) 4.850 3.716 ( -1.380 0.368 3.197) 3.501 3.810 ( -1.223 0.329 -1.572) 2.019 3.842 ( 1.063 0.397 -3.834) 3.998 4.130 ( -2.261 -2.678 -0.115) 3.507 4.190 ( 0.435 -0.759 -0.910) 1.263 4.319 ( -2.181 0.886 0.732) 2.465 4.352 ( -0.372 0.140 -0.347) 0.528 4.805 ( -1.290 0.262 -2.439) 2.771 4.875 ( 2.696 0.312 2.125) 3.447 4.968 ( 0.288 -2.285 -3.708) 4.365 4.991 ( 1.487 -0.963 3.758) 4.155 5.648 ( -0.652 0.456 -0.151) 0.809 5.673 ( 0.769 0.171 0.232) 0.821 5.766 ( -0.969 0.362 -0.673) 1.234 5.790 ( 0.379 -0.544 0.536) 0.853 6.401 ( -3.470 9.371 -1.844) 10.162 6.600 ( 5.741 11.991 3.168) 13.667 6.960 ( -4.629 -4.194 -5.638) 8.414 7.045 ( -0.027 -3.191 6.640) 7.367 7.556 ( -0.056 0.179 -0.150) 0.240 7.577 ( 0.550 0.158 -0.444) 0.725 7.599 ( -0.956 -0.593 -1.223) 1.662 7.656 ( 1.805 -0.270 1.156) 2.161 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 8.009 6.320 -6.111) 11.892 0.651 ( 2.083 9.247 -8.640) 12.826 0.858 ( 5.561 2.570 4.242) 7.451 0.909 ( 1.570 6.659 -0.062) 6.842 0.979 ( 7.661 5.286 -2.464) 9.628 1.057 ( 1.131 3.804 -0.976) 4.087 1.195 ( 2.080 -2.098 -1.405) 3.271 1.221 ( 0.325 0.283 0.895) 0.993 1.294 ( 0.585 -0.455 0.534) 0.914 1.378 ( 2.537 -1.240 2.859) 4.019 1.487 ( -0.021 4.625 -3.227) 5.639 1.571 ( -3.452 4.117 0.417) 5.389 1.647 ( 2.062 3.249 2.862) 4.796 1.713 ( 0.590 2.931 1.974) 3.583 1.845 ( 2.208 3.046 -1.954) 4.240 1.941 ( 1.320 1.076 -3.597) 3.980 1.992 ( -2.641 -0.386 2.165) 3.437 2.026 ( -1.563 0.458 2.002) 2.581 2.063 ( -0.247 2.045 0.804) 2.211 2.143 ( 0.460 2.178 0.062) 2.227 2.164 ( 2.916 -0.021 -1.520) 3.288 2.175 ( 1.139 0.544 1.043) 1.637 2.316 ( 0.491 -2.662 3.964) 4.800 2.370 ( -1.948 0.460 0.024) 2.002 2.442 ( 1.725 -3.286 -0.885) 3.815 2.546 ( 2.597 -0.216 -1.064) 2.815 2.563 ( -2.142 -3.343 -2.191) 4.535 2.632 ( -3.979 -0.818 -2.875) 4.977 2.748 ( 0.028 -2.240 2.821) 3.602 2.835 ( 4.506 -1.745 -0.489) 4.857 2.918 ( 2.635 -2.892 -0.978) 4.033 2.957 ( 1.507 -1.619 -0.560) 2.282 3.121 ( 1.473 -0.393 1.817) 2.371 3.147 ( 0.128 -0.523 1.003) 1.139 3.230 ( 1.764 -0.439 -0.414) 1.864 3.314 ( 1.705 -3.817 -2.449) 4.845 3.675 ( -4.488 -0.266 3.791) 5.881 3.725 ( -0.944 -0.072 2.537) 2.708 3.756 ( -2.517 0.676 -2.131) 3.367 3.826 ( 1.606 0.170 -4.610) 4.885 4.090 ( -1.450 -2.248 -0.791) 2.790 4.174 ( -1.072 0.771 -1.090) 1.713 4.284 ( -2.360 1.185 0.834) 2.769 4.334 ( -0.893 -0.099 -0.708) 1.144 4.778 ( 0.172 0.334 -0.839) 0.920 4.925 ( 1.641 -0.552 -0.218) 1.745 4.957 ( 2.300 -1.461 -2.412) 3.639 5.050 ( 0.655 -0.914 3.578) 3.751 5.637 ( -0.412 0.705 -0.075) 0.820 5.689 ( 0.786 -0.404 -0.250) 0.918 5.744 ( -0.875 0.937 -0.050) 1.283 5.798 ( -0.045 -1.149 0.424) 1.226 6.381 ( 1.457 4.726 1.285) 5.109 6.701 ( 0.870 11.438 3.422) 11.970 6.841 ( -2.908 -3.720 -3.819) 6.073 7.074 ( -3.154 -3.174 4.779) 6.546 7.562 ( 0.428 -0.215 0.272) 0.551 7.576 ( 0.696 -0.324 -0.094) 0.773 7.594 ( 0.463 0.145 0.098) 0.495 7.686 ( 0.741 0.060 0.345) 0.819 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 6.993 8.251 -3.202) 11.280 0.794 ( 11.949 1.406 4.560) 12.867 0.924 ( 0.706 9.452 2.979) 9.936 0.974 ( 3.495 0.615 -1.715) 3.941 1.064 ( 3.674 6.657 -2.846) 8.119 1.114 ( 3.429 6.056 4.769) 8.437 1.198 ( 1.555 -1.404 2.551) 3.301 1.257 ( 1.478 -0.190 1.046) 1.820 1.310 ( 0.918 -1.084 -1.455) 2.033 1.424 ( 0.726 1.614 0.102) 1.772 1.507 ( 2.377 2.820 1.233) 3.889 1.537 ( -1.586 3.066 2.622) 4.335 1.708 ( 0.823 3.423 1.792) 3.950 1.724 ( 2.317 2.292 1.110) 3.443 1.861 ( 0.631 2.357 -3.077) 3.927 1.921 ( -0.334 0.994 -3.598) 3.747 1.924 ( -3.198 -1.401 -1.002) 3.632 2.016 ( -1.127 -0.856 0.932) 1.695 2.048 ( -0.190 0.392 -1.370) 1.437 2.131 ( -1.583 2.630 -0.130) 3.073 2.212 ( 1.187 -0.459 0.629) 1.420 2.224 ( 0.327 0.691 -0.089) 0.770 2.304 ( -4.027 -1.511 -1.275) 4.486 2.335 ( -1.013 0.720 -1.274) 1.780 2.391 ( -1.103 -3.768 -3.597) 5.325 2.484 ( -4.750 -0.831 -2.978) 5.667 2.584 ( 4.726 0.068 0.164) 4.729 2.641 ( 1.745 -1.115 2.428) 3.191 2.789 ( 0.708 -3.087 3.967) 5.076 2.893 ( 2.322 -1.077 -0.893) 2.711 2.958 ( 2.712 -2.335 -0.022) 3.579 2.973 ( 1.167 -1.585 -0.343) 1.998 3.156 ( 0.236 -1.124 1.933) 2.248 3.176 ( 1.169 -1.066 1.429) 2.132 3.239 ( 0.531 0.030 -1.500) 1.592 3.306 ( 0.933 -0.936 -3.504) 3.745 3.629 ( -4.525 0.326 4.051) 6.082 3.694 ( -2.772 0.847 -0.269) 2.911 3.727 ( -0.317 -0.407 0.328) 0.611 3.812 ( 1.814 -0.157 -4.931) 5.257 4.072 ( 0.246 -1.015 -0.586) 1.197 4.137 ( -1.756 1.109 -1.046) 2.325 4.263 ( -0.898 0.725 1.271) 1.717 4.313 ( -0.639 0.267 -0.765) 1.031 4.796 ( 1.609 0.450 1.064) 1.981 4.933 ( -0.135 -0.345 -1.396) 1.444 4.992 ( 3.285 -1.426 -0.806) 3.671 5.074 ( -1.044 -0.931 1.980) 2.425 5.634 ( 0.059 0.904 0.152) 0.919 5.683 ( -0.550 0.113 -1.268) 1.386 5.746 ( 0.550 -0.027 0.991) 1.134 5.795 ( -0.511 -1.636 0.046) 1.714 6.457 ( 3.595 1.206 3.589) 5.221 6.684 ( -2.471 4.391 -1.412) 5.233 6.810 ( 0.848 -1.211 0.442) 1.543 7.017 ( -5.704 -3.154 0.434) 6.533 7.579 ( 0.664 0.707 0.861) 1.297 7.599 ( 0.581 -0.000 1.039) 1.190 7.607 ( 0.984 0.755 0.695) 1.421 7.689 ( -0.114 0.149 -0.653) 0.680 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 7.244 5.678 0.697) 9.230 0.830 ( -5.799 9.104 -0.823) 10.826 0.964 ( -1.913 2.279 -0.734) 3.065 0.967 ( 1.700 1.121 -0.668) 2.143 1.178 ( -0.207 2.238 4.592) 5.112 1.219 ( 7.118 6.960 1.343) 10.045 1.263 ( 0.194 0.812 0.833) 1.179 1.277 ( 0.890 -0.994 0.303) 1.368 1.332 ( 2.382 2.290 3.032) 4.485 1.401 ( -3.740 4.574 -2.633) 6.468 1.519 ( -1.138 2.778 0.827) 3.114 1.540 ( -0.290 3.211 -0.458) 3.257 1.758 ( 0.880 2.706 4.128) 5.014 1.798 ( 2.418 0.565 5.630) 6.153 1.839 ( 0.356 1.766 -0.353) 1.836 1.868 ( -1.581 0.727 -2.705) 3.216 1.884 ( 0.424 0.773 -2.051) 2.232 1.986 ( -4.823 0.092 -9.589) 10.734 2.027 ( 0.010 -1.565 2.688) 3.110 2.074 ( -0.159 0.729 -1.712) 1.867 2.147 ( -4.438 -0.534 2.191) 4.978 2.215 ( 3.004 -2.438 -3.839) 5.450 2.288 ( 0.669 -2.176 1.363) 2.654 2.313 ( -1.891 -1.384 -0.359) 2.371 2.375 ( 1.307 1.061 -0.307) 1.711 2.404 ( -0.994 -0.109 -2.642) 2.825 2.657 ( -1.593 -1.238 0.605) 2.106 2.663 ( 3.045 -1.132 0.102) 3.250 2.833 ( -0.852 -3.508 4.324) 5.633 2.899 ( -0.312 -0.889 -1.416) 1.701 2.963 ( -2.950 -1.570 2.723) 4.311 3.023 ( 4.481 -1.551 -3.019) 5.621 3.176 ( 0.468 -0.832 1.593) 1.857 3.194 ( -0.018 -1.434 0.233) 1.453 3.244 ( 1.473 0.538 -0.792) 1.756 3.281 ( -0.028 0.316 -3.933) 3.946 3.600 ( -3.191 0.365 4.728) 5.716 3.660 ( -1.237 0.998 0.854) 1.805 3.726 ( -0.124 -0.426 0.320) 0.547 3.800 ( 2.106 -0.158 -4.734) 5.184 4.085 ( 1.392 0.056 0.082) 1.396 4.098 ( -1.298 0.617 -1.065) 1.789 4.273 ( 0.396 0.186 1.389) 1.456 4.297 ( -0.277 0.643 -0.972) 1.198 4.847 ( 2.149 0.357 2.182) 3.083 4.893 ( -2.097 0.204 -2.349) 3.156 5.047 ( -2.026 -1.232 0.656) 2.460 5.053 ( 2.188 -1.444 0.081) 2.623 5.643 ( 0.549 0.861 0.527) 1.149 5.658 ( -0.764 0.809 -1.060) 1.537 5.769 ( 0.832 -1.102 0.836) 1.614 5.782 ( -0.622 -1.675 -0.428) 1.837 6.544 ( 0.973 1.544 4.511) 4.866 6.628 ( -0.334 0.946 -3.660) 3.795 6.865 ( 2.500 -3.303 2.430) 4.802 6.911 ( -3.278 -2.353 -1.972) 4.491 7.594 ( 0.184 1.092 0.747) 1.335 7.605 ( 0.075 1.219 -0.155) 1.231 7.642 ( 0.985 0.395 1.724) 2.025 7.673 ( -0.747 0.363 -1.258) 1.508 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -8.870 12.004 -2.145) 15.079 0.835 ( -6.142 4.816 1.033) 7.873 0.922 ( -3.641 1.895 -0.219) 4.110 1.032 ( 3.925 0.324 -2.732) 4.793 1.066 ( -12.044 7.997 -4.432) 15.121 1.205 ( -4.362 -0.016 -1.511) 4.616 1.245 ( 0.792 3.876 -2.574) 4.720 1.275 ( -4.793 0.328 0.769) 4.865 1.288 ( -1.500 0.559 -1.427) 2.145 1.410 ( 1.035 4.974 1.470) 5.289 1.516 ( -1.096 2.849 0.818) 3.160 1.559 ( 1.806 2.779 0.682) 3.383 1.763 ( -4.023 2.598 0.580) 4.824 1.771 ( -2.432 3.468 -1.620) 4.535 1.800 ( -3.374 0.770 -3.411) 4.859 1.848 ( -0.457 0.967 1.742) 2.044 1.919 ( 3.824 -1.586 1.139) 4.294 1.980 ( 4.205 1.030 4.872) 6.518 2.045 ( 0.053 -0.319 -0.740) 0.808 2.068 ( 1.383 -0.211 1.998) 2.439 2.161 ( 1.743 -0.133 4.217) 4.565 2.269 ( 2.638 -2.598 -3.515) 5.105 2.293 ( 1.173 -1.090 0.783) 1.782 2.314 ( 1.268 -4.065 1.496) 4.513 2.363 ( -0.198 1.242 -1.457) 1.925 2.444 ( 4.717 0.295 1.100) 4.852 2.600 ( -4.351 -0.794 -1.009) 4.537 2.681 ( -0.236 -1.254 -1.452) 1.933 2.826 ( -3.712 -1.659 2.916) 5.004 2.865 ( -1.900 -1.836 -0.311) 2.660 2.917 ( -3.856 -0.783 0.741) 4.004 3.042 ( 0.642 -2.687 -3.212) 4.237 3.189 ( -0.699 -1.150 0.163) 1.355 3.200 ( 0.412 -1.811 0.273) 1.877 3.234 ( -0.299 0.840 -3.548) 3.658 3.265 ( 1.217 0.365 -0.602) 1.406 3.608 ( -1.421 0.062 5.571) 5.750 3.667 ( -0.420 0.651 3.491) 3.576 3.729 ( 0.867 -0.415 -0.988) 1.379 3.802 ( 2.619 0.331 -3.726) 4.566 4.074 ( -0.303 -0.427 -0.715) 0.886 4.122 ( 2.139 0.760 0.432) 2.311 4.287 ( 0.451 1.016 -1.112) 1.572 4.295 ( 0.719 -0.101 0.955) 1.200 4.828 ( -2.549 0.275 -2.039) 3.275 4.900 ( 1.165 -0.197 1.895) 2.233 4.982 ( -4.272 -0.778 0.257) 4.350 5.099 ( 1.921 -1.679 -0.428) 2.587 5.641 ( -0.236 0.941 -0.600) 1.141 5.661 ( 0.618 0.465 0.903) 1.189 5.763 ( -0.584 -1.060 -0.648) 1.373 5.792 ( 0.822 -1.272 0.320) 1.548 6.522 ( -3.752 1.302 -1.657) 4.304 6.654 ( 3.659 1.360 0.614) 3.952 6.825 ( -1.257 2.179 -0.425) 2.551 7.001 ( 7.085 -4.396 1.666) 8.503 7.594 ( -0.341 1.002 -0.250) 1.088 7.609 ( 0.393 2.038 -0.328) 2.101 7.638 ( -1.625 0.421 -1.755) 2.429 7.668 ( 0.336 0.086 1.437) 1.479 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -5.433 13.308 1.968) 14.509 0.588 ( -16.163 6.973 -6.519) 18.771 0.796 ( -7.759 10.464 5.404) 14.103 0.919 ( -7.168 1.498 3.448) 8.094 0.982 ( -2.944 2.404 -5.148) 6.399 1.086 ( -3.897 4.445 -3.011) 6.634 1.194 ( -3.021 -2.110 -0.831) 3.777 1.240 ( -1.569 0.659 -0.614) 1.809 1.316 ( 2.958 0.431 -0.363) 3.011 1.409 ( -0.616 2.660 0.050) 2.731 1.467 ( -3.066 1.692 -1.872) 3.971 1.582 ( 1.371 2.090 -0.532) 2.555 1.704 ( -1.602 2.295 -1.300) 3.086 1.719 ( -0.169 5.741 -1.323) 5.894 1.792 ( -1.208 2.947 3.965) 5.086 1.865 ( -0.589 1.939 3.247) 3.827 2.002 ( 4.051 -1.543 1.356) 4.542 2.038 ( 0.672 0.659 1.273) 1.583 2.051 ( 1.806 -0.357 -0.397) 1.883 2.134 ( 0.313 1.702 2.383) 2.945 2.196 ( -1.380 0.525 -0.407) 1.531 2.199 ( -3.991 -1.616 -3.304) 5.427 2.339 ( 1.784 -1.571 3.163) 3.957 2.374 ( 2.726 -3.250 -1.632) 4.545 2.410 ( 4.298 -0.910 1.279) 4.576 2.480 ( -2.953 -0.574 0.440) 3.040 2.563 ( 3.406 0.080 1.859) 3.882 2.630 ( -2.952 -0.557 -3.206) 4.393 2.773 ( -3.253 -0.391 1.032) 3.435 2.832 ( -3.569 -2.099 0.224) 4.147 2.861 ( -2.225 -1.521 1.728) 3.201 2.996 ( -2.049 -3.984 -2.628) 5.194 3.159 ( -2.217 -0.934 -0.513) 2.460 3.175 ( -1.152 -1.275 -1.406) 2.221 3.238 ( 1.486 -1.446 -1.021) 2.311 3.272 ( 0.018 -1.266 -0.105) 1.270 3.644 ( -0.821 -0.262 5.648) 5.714 3.699 ( -1.819 -0.249 6.449) 6.705 3.746 ( 3.385 0.198 -2.786) 4.388 3.820 ( 2.781 0.724 -3.015) 4.165 4.079 ( 1.337 -1.431 0.042) 1.959 4.161 ( 1.612 0.778 0.165) 1.798 4.297 ( 1.592 1.319 -0.407) 2.107 4.315 ( 0.689 -0.012 0.795) 1.052 4.776 ( -1.542 0.076 -0.651) 1.675 4.895 ( -3.347 -1.817 1.512) 4.097 4.938 ( -0.933 0.598 0.639) 1.279 5.108 ( 0.337 -1.679 -1.944) 2.591 5.638 ( 0.314 0.805 -0.238) 0.897 5.675 ( -0.116 -0.199 0.859) 0.889 5.752 ( 0.190 0.253 -0.638) 0.712 5.804 ( 0.325 -1.014 -0.131) 1.073 6.433 ( -2.710 2.874 -3.323) 5.162 6.731 ( 3.451 1.298 2.121) 4.254 6.842 ( 4.192 11.756 -4.589) 13.298 7.133 ( 6.289 -3.845 -0.711) 7.406 7.578 ( -0.798 0.987 -1.306) 1.821 7.589 ( -1.835 0.235 -1.279) 2.249 7.602 ( -0.514 0.309 -0.658) 0.890 7.685 ( 0.340 0.624 0.628) 0.948 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.357 11.966 9.322) 15.173 0.520 ( -2.915 7.653 8.358) 11.701 0.752 ( -3.815 10.203 2.351) 11.144 0.814 ( -4.445 7.796 5.057) 10.301 0.930 ( 0.493 4.111 -0.418) 4.162 1.029 ( -1.144 4.340 0.608) 4.529 1.136 ( -3.866 -1.404 -2.233) 4.680 1.203 ( -2.359 -2.044 -0.745) 3.209 1.311 ( 0.400 1.349 -1.789) 2.276 1.376 ( -2.926 -0.210 -4.518) 5.387 1.462 ( 2.517 2.350 3.820) 5.143 1.613 ( 1.401 2.756 0.927) 3.228 1.667 ( 0.246 3.254 -2.497) 4.109 1.723 ( -0.945 5.538 -2.141) 6.012 1.787 ( -1.254 4.089 2.293) 4.853 1.891 ( 0.349 1.402 3.116) 3.435 2.023 ( -1.495 1.920 -2.207) 3.285 2.066 ( -1.144 2.516 -0.111) 2.766 2.085 ( -3.154 -1.195 -1.309) 3.618 2.097 ( 1.913 -0.683 0.112) 2.034 2.128 ( 1.537 -1.662 1.190) 2.557 2.189 ( 0.387 0.559 -1.002) 1.211 2.345 ( -0.913 -3.629 -2.117) 4.300 2.401 ( 1.921 -0.477 1.959) 2.785 2.420 ( 0.250 -0.510 -2.334) 2.402 2.491 ( -3.450 -0.897 -1.336) 3.807 2.583 ( 3.352 -1.376 3.035) 4.727 2.674 ( 2.978 -4.125 2.172) 5.532 2.747 ( -4.469 -2.895 -0.439) 5.343 2.764 ( 1.364 -0.406 1.959) 2.421 2.847 ( -1.917 -2.377 1.655) 3.474 2.933 ( -2.828 -3.458 -1.094) 4.599 3.113 ( -1.595 -1.054 -0.829) 2.084 3.158 ( -0.514 -0.563 -0.192) 0.786 3.232 ( 0.907 -0.114 -3.461) 3.580 3.261 ( -2.036 -6.036 0.243) 6.375 3.677 ( -1.151 -0.396 5.163) 5.305 3.714 ( -2.388 -0.291 5.185) 5.716 3.791 ( 3.384 0.428 -1.451) 3.707 3.841 ( 2.472 0.741 -2.558) 3.634 4.119 ( 2.487 -2.188 0.781) 3.403 4.176 ( 0.110 -0.125 0.112) 0.201 4.332 ( 1.634 0.237 0.614) 1.761 4.336 ( 0.899 0.806 0.298) 1.244 4.767 ( 0.215 -0.005 1.190) 1.209 4.872 ( -1.485 -1.668 3.780) 4.390 4.916 ( -1.569 0.392 -1.035) 1.921 5.078 ( -0.635 -1.737 -3.612) 4.058 5.646 ( 0.585 0.584 0.033) 0.827 5.672 ( -0.661 -0.165 0.288) 0.740 5.759 ( 0.786 0.655 0.016) 1.023 5.802 ( -0.197 -0.572 -0.551) 0.818 6.394 ( 1.207 6.549 -1.225) 6.771 6.771 ( -0.529 20.042 -13.244) 24.029 6.841 ( 1.991 -0.928 4.070) 4.624 7.175 ( 1.464 -4.124 -5.354) 6.915 7.556 ( -0.711 0.289 -0.297) 0.823 7.568 ( 0.630 -1.378 0.624) 1.639 7.589 ( -0.385 0.062 -0.334) 0.514 7.678 ( -1.032 0.843 -1.100) 1.727 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.457 6.912 6.411) 9.438 0.759 ( 1.082 4.158 -2.719) 5.084 0.831 ( 7.787 6.679 8.527) 13.340 0.968 ( -0.557 -2.561 2.238) 3.446 0.971 ( -2.239 -1.481 -3.268) 4.229 1.039 ( -0.229 -0.882 -2.813) 2.957 1.173 ( 1.336 2.003 -1.173) 2.678 1.210 ( -1.171 3.335 -3.612) 5.054 1.333 ( 2.532 9.363 3.977) 10.483 1.400 ( -0.734 7.108 -1.861) 7.385 1.650 ( 2.137 6.442 5.437) 8.696 1.699 ( -0.501 3.824 0.971) 3.977 1.718 ( -0.215 2.762 -0.564) 2.827 1.767 ( -1.942 6.987 -5.252) 8.954 1.914 ( -0.051 5.011 2.441) 5.574 1.936 ( 0.585 -1.754 3.199) 3.695 1.964 ( -0.727 0.423 -2.381) 2.526 2.002 ( -1.720 -0.744 -3.009) 3.544 2.063 ( 0.431 -1.189 0.609) 1.403 2.100 ( -0.804 -2.947 -1.308) 3.323 2.163 ( 0.445 0.813 2.600) 2.760 2.200 ( -1.146 1.646 -1.155) 2.315 2.297 ( 3.412 -1.641 1.655) 4.132 2.348 ( -3.816 -3.180 -1.203) 5.111 2.395 ( -0.102 -2.598 -1.318) 2.915 2.401 ( 0.376 -2.121 -1.114) 2.425 2.584 ( -2.163 -2.543 0.484) 3.373 2.607 ( 2.068 -3.106 -1.447) 4.002 2.671 ( -0.611 -2.673 2.133) 3.473 2.702 ( 0.373 -2.827 0.157) 2.856 2.830 ( 1.314 -0.952 2.320) 2.831 2.864 ( -0.018 -2.101 -0.578) 2.179 3.096 ( 0.272 -0.435 1.446) 1.534 3.114 ( -1.360 -0.752 0.331) 1.589 3.172 ( 0.223 -0.958 -1.952) 2.185 3.201 ( 1.584 -1.991 -3.789) 4.564 3.703 ( -1.562 0.644 4.732) 5.024 3.719 ( -1.743 0.038 4.144) 4.496 3.835 ( 1.392 0.978 -1.670) 2.384 3.859 ( 1.352 0.077 -2.903) 3.203 4.132 ( 1.759 -1.279 0.177) 2.183 4.137 ( -1.250 -1.315 -0.481) 1.877 4.338 ( -0.579 -0.232 0.982) 1.164 4.351 ( 0.216 -0.637 -0.329) 0.749 4.816 ( 1.902 0.811 2.798) 3.479 4.865 ( -0.225 -0.408 0.210) 0.512 4.894 ( -0.182 -0.250 1.485) 1.516 4.975 ( -1.256 -2.854 -4.180) 5.214 5.665 ( -0.358 0.239 0.204) 0.477 5.667 ( 0.413 0.319 0.087) 0.529 5.778 ( 0.142 0.231 0.212) 0.344 5.786 ( -0.231 -0.125 -0.480) 0.548 6.636 ( 3.391 8.953 5.519) 11.050 6.817 ( -5.609 7.943 -12.676) 15.976 6.875 ( 2.300 -4.286 5.943) 7.680 7.005 ( -3.041 -4.954 -6.604) 8.798 7.571 ( 1.015 0.111 0.191) 1.038 7.576 ( 0.819 1.059 0.062) 1.340 7.600 ( 0.545 -0.043 0.330) 0.639 7.636 ( -1.704 -0.434 -2.900) 3.392 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 3.182 5.265 1.331) 6.294 0.798 ( -0.630 7.947 -8.160) 11.408 0.813 ( 2.575 3.796 -3.714) 5.902 0.973 ( 2.271 -1.329 3.868) 4.678 1.020 ( 1.360 -2.044 -3.828) 4.547 1.042 ( 2.088 -1.814 1.228) 3.026 1.153 ( 1.047 2.837 1.493) 3.373 1.219 ( 1.750 2.731 -1.034) 3.404 1.350 ( -0.050 6.180 -3.205) 6.962 1.412 ( 1.307 8.300 -0.007) 8.403 1.666 ( -3.005 5.346 -3.997) 7.320 1.683 ( -1.531 3.906 0.282) 4.205 1.710 ( -0.777 5.792 0.718) 5.888 1.727 ( 0.829 5.591 4.215) 7.051 1.924 ( -1.593 -1.392 0.423) 2.157 1.948 ( 1.242 1.211 -0.265) 1.755 1.991 ( 1.448 -0.126 1.929) 2.415 1.996 ( 2.157 -0.544 -0.146) 2.229 2.057 ( -1.493 0.903 -0.668) 1.868 2.102 ( 1.446 -3.500 1.447) 4.054 2.146 ( -0.944 -0.306 1.087) 1.471 2.208 ( 0.995 3.703 1.249) 4.033 2.289 ( -0.010 -0.202 -1.971) 1.981 2.372 ( -0.939 -1.281 0.719) 1.743 2.389 ( 0.139 -2.681 1.449) 3.051 2.413 ( 3.516 -3.697 0.346) 5.113 2.563 ( -1.242 -2.381 1.213) 2.947 2.617 ( -0.235 -3.714 -1.822) 4.143 2.683 ( 2.532 -1.333 1.326) 3.154 2.767 ( 4.284 -1.755 -0.171) 4.632 2.819 ( -1.202 -1.988 -1.977) 3.051 2.882 ( 1.586 -2.742 -0.075) 3.169 3.102 ( 0.088 0.512 0.435) 0.678 3.125 ( 0.513 -0.741 0.636) 1.103 3.179 ( 1.893 -0.820 -0.212) 2.074 3.214 ( 3.296 -2.914 -2.647) 5.134 3.706 ( -2.820 0.536 3.814) 4.774 3.723 ( -1.682 0.156 3.334) 3.738 3.823 ( -0.703 0.886 -2.156) 2.435 3.844 ( 0.635 -0.192 -3.628) 3.689 4.098 ( -1.753 -0.292 -0.613) 1.880 4.162 ( 1.081 -2.073 -0.374) 2.368 4.327 ( -1.596 0.175 0.894) 1.837 4.345 ( -0.576 -0.637 -0.192) 0.880 4.817 ( -1.149 1.130 -2.387) 2.880 4.882 ( 1.940 -0.113 0.605) 2.035 4.920 ( 0.379 -1.858 -1.717) 2.558 4.962 ( 2.108 -1.864 3.163) 4.234 5.659 ( -0.368 0.645 0.013) 0.743 5.675 ( 0.465 -0.044 -0.090) 0.476 5.774 ( -0.525 0.381 -0.182) 0.674 5.783 ( -0.109 -0.210 0.313) 0.392 6.595 ( -6.092 9.167 -3.550) 11.565 6.797 ( 3.412 7.122 6.218) 10.052 6.859 ( -5.415 -5.647 -3.903) 8.744 6.970 ( 0.523 -4.050 5.084) 6.521 7.562 ( -0.286 0.537 -0.712) 0.937 7.581 ( -0.611 0.004 -1.978) 2.070 7.598 ( 0.541 0.720 0.155) 0.914 7.644 ( 1.782 -0.940 1.558) 2.547 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 3.107 6.486 -3.569) 8.028 0.795 ( 2.666 6.330 -2.081) 7.176 0.933 ( 5.844 -0.079 -2.126) 6.219 0.992 ( 1.844 4.386 0.783) 4.822 1.054 ( 3.105 -3.680 2.522) 5.435 1.114 ( 5.117 1.802 -0.436) 5.443 1.193 ( 2.322 4.575 -2.779) 5.835 1.226 ( 2.361 1.788 -0.782) 3.063 1.372 ( 1.633 1.867 1.485) 2.891 1.396 ( -1.179 6.325 0.695) 6.471 1.586 ( -2.030 5.408 -2.501) 6.295 1.653 ( -1.670 4.962 -0.691) 5.281 1.726 ( 1.355 3.830 1.708) 4.407 1.768 ( -0.372 2.961 2.524) 3.908 1.897 ( -0.834 -0.419 -0.279) 0.974 1.945 ( -4.340 -3.815 -0.121) 5.780 1.958 ( 1.353 1.973 -2.093) 3.178 2.040 ( -0.381 -1.664 0.833) 1.900 2.070 ( 0.933 0.618 -0.054) 1.120 2.139 ( 2.667 -2.920 -1.195) 4.131 2.187 ( 2.320 1.702 2.004) 3.506 2.239 ( 1.406 5.337 -0.151) 5.521 2.287 ( -0.082 0.662 0.076) 0.671 2.362 ( -1.547 -1.837 -0.869) 2.554 2.382 ( 0.444 -1.748 0.749) 1.953 2.474 ( -0.612 -5.083 0.691) 5.166 2.548 ( 1.677 0.573 -0.189) 1.782 2.607 ( -0.367 -1.711 -0.599) 1.849 2.724 ( -0.335 0.006 2.557) 2.579 2.808 ( 3.935 -0.609 -1.064) 4.122 2.845 ( 3.575 -4.066 -1.061) 5.517 2.906 ( 1.349 -3.178 -0.051) 3.453 3.113 ( 0.556 -0.201 0.653) 0.881 3.135 ( 0.373 -0.780 0.505) 1.001 3.219 ( 2.504 -0.390 -0.532) 2.589 3.255 ( 3.099 -2.110 -1.533) 4.050 3.680 ( -3.936 0.858 3.835) 5.562 3.719 ( -2.201 -0.507 3.185) 3.905 3.777 ( -1.328 1.198 -3.328) 3.778 3.820 ( 0.944 -0.808 -4.361) 4.535 4.071 ( -0.551 0.532 -0.580) 0.961 4.161 ( -0.433 -2.083 -0.797) 2.272 4.302 ( -2.053 0.882 0.883) 2.402 4.329 ( -0.878 -0.412 -0.269) 1.006 4.794 ( 0.507 1.364 -1.083) 1.814 4.886 ( 1.575 -2.897 -2.114) 3.917 4.954 ( 1.902 0.916 0.559) 2.184 5.022 ( 1.162 -1.874 2.568) 3.385 5.654 ( -0.174 0.951 0.000) 0.967 5.680 ( 0.373 -0.448 -0.369) 0.690 5.763 ( -0.565 0.812 -0.042) 0.990 5.780 ( -0.572 -0.556 0.309) 0.856 6.504 ( -2.025 6.846 -0.266) 7.144 6.737 ( -4.292 -5.327 -2.783) 7.386 6.862 ( -2.878 3.956 5.358) 7.255 7.000 ( -2.760 -4.176 4.061) 6.446 7.566 ( 0.975 0.725 0.898) 1.511 7.579 ( 1.009 0.264 0.588) 1.197 7.609 ( 0.561 1.477 0.048) 1.581 7.677 ( 0.595 -1.106 0.744) 1.460 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 2.464 6.961 0.357) 7.393 0.828 ( 9.009 2.774 3.605) 10.092 0.973 ( 1.321 -1.673 -1.552) 2.637 1.048 ( 2.014 1.835 1.822) 3.277 1.149 ( 3.675 -0.018 0.964) 3.799 1.230 ( 2.109 0.374 -0.534) 2.208 1.233 ( 9.032 7.970 1.265) 12.112 1.292 ( 5.042 2.613 2.212) 6.094 1.366 ( -2.548 8.046 2.337) 8.758 1.439 ( 1.882 0.930 2.892) 3.573 1.568 ( 0.675 3.040 1.550) 3.478 1.615 ( -0.963 5.146 -1.471) 5.439 1.777 ( 0.047 3.105 1.405) 3.409 1.786 ( 2.925 3.401 2.023) 4.921 1.869 ( -3.760 -2.512 0.282) 4.531 1.886 ( 0.044 -2.628 -0.588) 2.693 1.954 ( 0.450 2.484 -3.383) 4.221 2.004 ( -3.091 -0.454 -0.604) 3.182 2.058 ( -0.390 0.492 -2.104) 2.196 2.150 ( -0.367 -1.630 -0.359) 1.709 2.223 ( -0.803 1.384 -3.093) 3.482 2.230 ( -1.259 0.055 -4.266) 4.448 2.247 ( -1.446 -3.846 -1.998) 4.569 2.301 ( -3.865 -2.118 -4.620) 6.385 2.381 ( -0.157 1.721 2.054) 2.684 2.450 ( -1.139 -2.141 -0.815) 2.558 2.594 ( 2.587 0.537 0.009) 2.643 2.619 ( 1.247 -0.895 1.855) 2.408 2.752 ( -0.558 0.252 5.278) 5.313 2.876 ( 2.392 -0.890 -1.595) 3.010 2.892 ( 2.231 -3.721 2.844) 5.188 2.936 ( 3.018 -2.111 -1.532) 3.989 3.133 ( 0.717 -0.860 1.217) 1.653 3.150 ( 0.618 -1.345 0.667) 1.623 3.245 ( 1.306 0.576 -1.122) 1.815 3.285 ( 1.883 -1.204 -1.977) 2.984 3.644 ( -4.404 1.237 4.433) 6.370 3.700 ( -3.978 -0.712 4.244) 5.860 3.733 ( 1.103 1.303 -4.614) 4.920 3.798 ( 1.620 -1.277 -4.969) 5.380 4.071 ( 0.971 1.035 -0.176) 1.430 4.140 ( -0.956 -0.934 -0.886) 1.604 4.278 ( -1.478 0.876 1.207) 2.100 4.313 ( -0.591 -0.410 -0.407) 0.826 4.814 ( 1.787 1.516 0.726) 2.453 4.907 ( 1.640 -2.422 -0.918) 3.066 4.980 ( 1.225 0.518 -0.291) 1.362 5.045 ( -0.538 -1.913 1.005) 2.227 5.654 ( 0.130 1.040 0.140) 1.057 5.680 ( 0.058 -0.382 -0.593) 0.708 5.754 ( -0.310 0.555 -0.040) 0.637 5.769 ( -0.828 -0.751 0.099) 1.122 6.509 ( 1.275 3.462 1.994) 4.194 6.661 ( -2.177 -4.215 -1.422) 4.952 6.827 ( -3.722 1.500 2.123) 4.540 6.940 ( -5.208 -4.348 -0.306) 6.792 7.603 ( 0.274 1.051 1.541) 1.885 7.605 ( 0.743 0.715 2.458) 2.665 7.626 ( 1.347 1.284 0.287) 1.882 7.683 ( 0.087 -0.888 -0.398) 0.977 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 4.460 3.031 3.606) 6.487 0.959 ( 0.619 3.688 -0.171) 3.743 0.979 ( 1.395 -0.273 -0.211) 1.438 1.021 ( -3.817 4.976 -3.376) 7.122 1.189 ( -0.782 -2.504 2.634) 3.718 1.238 ( 0.137 -2.232 -1.549) 2.720 1.362 ( -0.637 7.305 2.675) 7.806 1.378 ( 1.574 5.391 2.003) 5.963 1.429 ( 7.192 7.828 3.699) 11.256 1.473 ( -2.121 3.916 -0.296) 4.464 1.598 ( 0.786 4.730 0.587) 4.831 1.618 ( 0.615 3.811 0.234) 3.868 1.796 ( 0.141 0.373 3.647) 3.669 1.835 ( 0.258 3.378 3.760) 5.061 1.858 ( 1.506 0.820 0.810) 1.897 1.886 ( -0.857 -0.422 -2.185) 2.384 1.926 ( 1.418 3.120 -2.351) 4.156 1.961 ( -2.486 -2.313 -1.278) 3.628 2.014 ( -2.052 0.828 -2.742) 3.523 2.085 ( -1.989 0.529 -4.048) 4.541 2.116 ( -2.544 -2.178 -0.412) 3.374 2.168 ( 0.016 -2.529 -3.577) 4.381 2.212 ( -2.290 -5.113 -1.362) 5.765 2.232 ( 0.578 -5.841 -2.239) 6.282 2.403 ( 0.280 1.768 1.688) 2.460 2.427 ( -0.361 1.441 -0.512) 1.572 2.635 ( -0.926 -1.031 0.224) 1.404 2.642 ( 2.263 -1.023 -0.473) 2.528 2.790 ( -1.617 0.106 5.898) 6.117 2.882 ( 0.061 -0.845 -1.369) 1.610 2.922 ( -1.171 -2.058 1.906) 3.039 2.981 ( 2.975 -2.663 -2.449) 4.684 3.160 ( 0.871 -0.627 1.038) 1.493 3.167 ( 0.600 -1.060 0.463) 1.304 3.254 ( 1.029 0.536 -0.886) 1.460 3.280 ( 0.228 -0.491 -3.085) 3.132 3.614 ( -3.863 1.165 5.344) 6.697 3.672 ( -3.303 -0.422 4.202) 5.362 3.725 ( 1.944 0.837 -3.386) 3.993 3.788 ( 2.618 -1.145 -4.924) 5.693 4.096 ( 1.213 0.980 0.329) 1.594 4.113 ( -0.678 0.706 -1.277) 1.609 4.277 ( -0.194 0.214 1.584) 1.610 4.301 ( -0.099 -0.389 -0.737) 0.840 4.860 ( 1.743 1.050 1.726) 2.669 4.897 ( -1.352 0.036 -1.860) 2.300 5.011 ( 1.425 -1.801 0.817) 2.437 5.023 ( -1.636 -1.610 -0.313) 2.317 5.660 ( 0.193 0.808 0.394) 0.919 5.671 ( -0.258 0.351 -0.669) 0.798 5.755 ( 0.313 -0.282 0.057) 0.425 5.756 ( -0.351 -0.692 -0.064) 0.779 6.567 ( 1.747 0.704 2.876) 3.438 6.619 ( -0.855 -1.810 -2.192) 2.968 6.814 ( 0.742 -1.449 2.032) 2.604 6.852 ( -2.148 -3.019 -1.722) 4.086 7.618 ( -0.261 1.066 1.150) 1.590 7.625 ( 0.589 0.726 0.790) 1.224 7.654 ( 0.748 0.780 0.926) 1.423 7.676 ( -0.299 -0.118 -0.898) 0.954 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -5.030 8.277 -3.528) 10.308 0.900 ( -6.875 2.427 -2.884) 7.841 0.956 ( -2.445 -0.292 -0.010) 2.462 1.031 ( 2.077 1.108 2.615) 3.519 1.175 ( -2.869 -2.079 -0.813) 3.635 1.209 ( -3.379 -0.593 1.252) 3.653 1.302 ( -9.479 10.527 -4.477) 14.856 1.345 ( -4.293 4.230 -2.382) 6.481 1.407 ( 0.558 5.717 -0.399) 5.758 1.502 ( 0.779 4.836 -2.636) 5.563 1.590 ( -2.219 3.551 -0.683) 4.242 1.609 ( -0.127 2.420 -0.565) 2.488 1.802 ( -3.152 1.863 -3.045) 4.762 1.820 ( -2.184 1.487 4.244) 4.999 1.846 ( -0.465 1.133 -2.023) 2.365 1.881 ( -0.204 3.348 3.253) 4.672 1.894 ( 1.925 -0.707 -1.103) 2.329 1.993 ( 3.254 0.221 2.900) 4.364 2.033 ( 0.382 -0.444 -2.653) 2.717 2.083 ( 3.834 2.195 5.922) 7.388 2.153 ( 3.314 -1.107 4.265) 5.514 2.186 ( 1.477 -6.169 -1.941) 6.634 2.212 ( 1.684 -4.781 1.230) 5.216 2.233 ( 1.432 -4.568 1.021) 4.895 2.400 ( -0.708 2.212 0.630) 2.406 2.447 ( 2.117 -0.093 -0.302) 2.140 2.600 ( -2.263 0.596 -0.519) 2.397 2.652 ( -0.111 -1.884 -1.405) 2.353 2.798 ( -3.222 -0.356 5.222) 6.146 2.845 ( -2.127 0.015 -2.723) 3.456 2.896 ( -3.086 -1.161 0.516) 3.337 2.976 ( -0.584 -3.681 -3.013) 4.792 3.166 ( -0.493 -1.006 -0.670) 1.305 3.171 ( -0.495 -1.155 -0.867) 1.526 3.250 ( 0.098 0.671 -2.659) 2.744 3.266 ( 0.942 -0.163 -0.818) 1.258 3.614 ( -2.257 0.665 6.290) 6.716 3.666 ( -2.839 -1.058 6.053) 6.768 3.736 ( 3.117 1.395 -3.751) 5.073 3.800 ( 3.269 -0.738 -3.950) 5.180 4.080 ( -0.806 1.218 -0.984) 1.761 4.130 ( 1.540 -0.107 0.025) 1.543 4.295 ( 0.464 -0.002 1.335) 1.413 4.299 ( 0.754 0.050 -0.755) 1.068 4.840 ( -2.591 1.018 -1.771) 3.300 4.890 ( -0.657 -0.925 0.883) 1.438 4.973 ( -2.184 0.241 0.267) 2.213 5.052 ( 1.325 -2.869 0.343) 3.179 5.659 ( -0.287 0.712 -0.229) 0.801 5.669 ( 0.064 0.312 0.312) 0.446 5.753 ( 0.265 0.026 0.014) 0.266 5.770 ( 0.944 -0.862 0.045) 1.279 6.556 ( -1.714 1.871 -2.041) 3.256 6.638 ( 2.301 -2.099 0.633) 3.178 6.851 ( 4.113 0.033 0.036) 4.113 6.909 ( 6.158 -4.155 2.304) 7.778 7.618 ( -0.131 1.474 0.190) 1.492 7.641 ( -0.416 0.776 -1.172) 1.466 7.655 ( -0.134 1.087 -1.762) 2.075 7.666 ( 0.255 -0.324 1.305) 1.368 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -9.393 6.532 -3.414) 11.940 0.767 ( -5.490 9.324 -0.207) 10.822 0.888 ( -6.036 -2.108 1.976) 6.691 1.036 ( -2.301 2.891 -2.076) 4.238 1.085 ( -5.487 -0.164 0.061) 5.490 1.111 ( -2.123 8.988 -1.975) 9.444 1.156 ( -4.938 0.605 0.383) 4.990 1.240 ( -2.606 1.529 -3.054) 4.296 1.402 ( -1.216 2.843 -1.081) 3.276 1.468 ( -0.501 2.230 -4.883) 5.391 1.538 ( -1.341 6.546 1.777) 6.914 1.636 ( 2.026 3.497 0.986) 4.159 1.757 ( -1.387 2.639 -0.745) 3.073 1.807 ( 0.661 2.486 -1.961) 3.235 1.853 ( -0.029 2.749 3.597) 4.527 1.909 ( -0.765 2.594 2.721) 3.836 1.950 ( 4.614 -3.684 -0.020) 5.905 2.042 ( 0.504 0.751 1.891) 2.096 2.053 ( 2.032 -1.014 -0.027) 2.272 2.137 ( -2.367 -3.480 -1.430) 4.445 2.195 ( -0.085 3.328 3.757) 5.020 2.210 ( -0.206 0.512 0.033) 0.553 2.252 ( 1.096 -4.779 2.452) 5.482 2.316 ( 3.322 -3.028 3.822) 5.900 2.413 ( 1.178 0.760 -1.370) 1.960 2.460 ( 0.870 -1.486 0.258) 1.741 2.568 ( -1.146 0.514 -0.720) 1.448 2.622 ( -0.978 -0.564 -2.028) 2.321 2.768 ( -3.872 -0.706 -1.449) 4.194 2.783 ( -3.451 -2.498 4.246) 6.015 2.824 ( -3.560 -0.623 -2.119) 4.190 2.918 ( -2.809 -3.310 -1.105) 4.479 3.139 ( -1.663 -0.962 -0.751) 2.062 3.145 ( -0.920 -1.343 -0.348) 1.665 3.229 ( -0.215 0.341 -2.410) 2.443 3.261 ( -0.035 -0.675 -2.310) 2.407 3.644 ( -1.261 0.338 6.274) 6.409 3.682 ( -2.189 -1.279 6.566) 7.039 3.767 ( 3.886 1.755 -3.008) 5.218 3.825 ( 3.222 -0.350 -3.210) 4.561 4.070 ( 0.609 0.773 -0.557) 1.131 4.152 ( 0.891 -1.676 0.083) 1.899 4.313 ( 0.807 0.418 0.345) 0.972 4.316 ( 1.217 0.142 0.366) 1.279 4.787 ( -1.868 1.014 -0.439) 2.170 4.855 ( -2.925 -2.186 0.851) 3.749 4.957 ( -0.781 1.558 0.294) 1.768 5.060 ( -0.063 -2.974 -1.055) 3.156 5.655 ( 0.062 0.774 -0.108) 0.784 5.671 ( -0.262 -0.184 0.450) 0.552 5.763 ( 0.617 0.602 0.029) 0.862 5.785 ( 0.727 -0.798 -0.141) 1.088 6.522 ( 0.387 5.310 -1.803) 5.621 6.691 ( 2.822 -3.192 1.636) 4.564 6.956 ( 7.552 0.507 -2.885) 8.100 7.049 ( 6.933 -4.574 -0.144) 8.307 7.596 ( -2.243 0.819 -1.175) 2.661 7.613 ( -2.047 0.534 -2.418) 3.213 7.619 ( 0.217 2.377 -1.193) 2.669 7.693 ( 1.588 -0.173 -0.934) 1.850 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 2.695 9.550 5.821) 11.504 0.671 ( -6.552 9.197 4.832) 12.283 0.807 ( -4.794 -0.208 1.898) 5.160 0.964 ( -1.723 1.400 -0.760) 2.347 1.041 ( -2.803 -5.921 -2.226) 6.919 1.053 ( -0.759 1.202 0.232) 1.440 1.159 ( 2.977 11.507 2.882) 12.230 1.203 ( -0.731 2.940 -2.022) 3.643 1.356 ( -2.096 0.352 -2.374) 3.186 1.414 ( -0.875 4.631 -1.468) 4.936 1.571 ( 1.233 7.701 4.139) 8.830 1.679 ( 1.509 3.677 0.901) 4.075 1.731 ( -0.372 3.332 -1.235) 3.573 1.818 ( 1.278 3.923 -3.123) 5.175 1.880 ( 0.281 3.825 3.308) 5.064 1.911 ( -1.049 0.996 2.070) 2.525 2.027 ( -0.648 -3.920 -2.132) 4.509 2.035 ( 1.865 -4.280 -1.067) 4.789 2.065 ( -0.144 0.947 0.057) 0.959 2.101 ( -0.500 -0.890 0.473) 1.125 2.146 ( -3.234 3.328 0.513) 4.669 2.223 ( -0.181 2.355 -0.163) 2.367 2.275 ( -0.674 -1.848 1.107) 2.258 2.376 ( 1.366 -2.639 0.779) 3.072 2.387 ( -0.375 -1.317 -1.506) 2.035 2.482 ( -3.537 -2.684 -4.506) 6.326 2.543 ( 3.001 -0.345 2.428) 3.876 2.612 ( 0.553 -2.326 0.062) 2.392 2.689 ( -4.243 -2.284 0.124) 4.820 2.746 ( -3.921 -3.482 2.017) 5.618 2.781 ( 0.685 -0.266 0.439) 0.855 2.877 ( -1.861 -2.671 1.033) 3.415 3.102 ( -1.691 -0.087 0.112) 1.697 3.134 ( -0.836 -1.624 0.382) 1.866 3.197 ( -0.502 -0.760 -2.587) 2.742 3.226 ( -0.263 -1.012 -3.650) 3.797 3.679 ( -1.214 0.503 5.614) 5.766 3.704 ( -1.722 -0.655 5.430) 5.734 3.809 ( 3.209 1.361 -1.901) 3.970 3.850 ( 2.554 -0.019 -2.749) 3.752 4.092 ( 1.985 -0.254 0.008) 2.001 4.158 ( -0.359 -1.949 -0.077) 1.983 4.330 ( 0.359 0.086 0.955) 1.024 4.341 ( 1.179 -0.169 -0.091) 1.194 4.775 ( 0.096 0.830 1.510) 1.726 4.835 ( -0.891 -2.021 2.903) 3.647 4.933 ( -1.554 1.486 -1.310) 2.518 5.031 ( -1.101 -2.869 -2.824) 4.174 5.659 ( 0.318 0.603 0.066) 0.685 5.669 ( -0.365 -0.123 0.385) 0.545 5.772 ( 0.432 0.611 -0.010) 0.748 5.791 ( 0.192 -0.508 -0.379) 0.662 6.545 ( 2.850 7.992 0.874) 8.529 6.773 ( 3.501 -3.851 3.784) 6.435 6.996 ( 1.757 2.661 -10.683) 11.148 7.090 ( 0.676 -4.159 -6.090) 7.405 7.558 ( -0.523 0.445 -0.265) 0.736 7.564 ( -0.742 0.375 -0.435) 0.939 7.611 ( -0.130 2.119 -1.186) 2.432 7.686 ( -0.391 -0.368 -2.865) 2.914 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.207 -3.545 3.852) 5.238 0.769 ( -0.207 3.545 3.852) 5.238 0.934 ( 3.001 -1.563 2.264) 4.071 0.934 ( 3.001 1.563 2.264) 4.071 0.974 ( 0.499 -5.337 -1.429) 5.548 0.974 ( 0.499 5.337 -1.429) 5.548 1.207 ( -1.298 -1.535 -3.936) 4.420 1.207 ( -1.298 1.535 -3.936) 4.420 1.469 ( 2.076 -1.766 1.480) 3.101 1.469 ( 2.076 1.766 1.480) 3.101 1.714 ( -0.050 -1.446 0.542) 1.545 1.714 ( -0.050 1.446 0.542) 1.545 1.856 ( -0.943 -7.250 2.698) 7.793 1.856 ( -0.943 7.250 2.698) 7.793 1.905 ( -0.748 -6.320 -1.655) 6.576 1.905 ( -0.748 6.320 -1.655) 6.576 1.991 ( 1.873 -1.455 0.330) 2.395 1.991 ( 1.873 1.455 0.330) 2.395 2.042 ( -1.292 -1.732 -1.384) 2.566 2.042 ( -1.292 1.732 -1.384) 2.566 2.198 ( -0.458 -1.905 1.896) 2.727 2.198 ( -0.458 1.905 1.896) 2.727 2.299 ( -1.393 -1.014 -1.048) 2.017 2.299 ( -1.393 1.014 -1.048) 2.017 2.366 ( 0.069 -1.134 -1.157) 1.622 2.366 ( 0.069 1.134 -1.157) 1.622 2.565 ( 0.056 -0.887 -0.868) 1.243 2.565 ( 0.056 0.887 -0.868) 1.243 2.661 ( 0.093 -1.304 1.290) 1.836 2.661 ( 0.093 1.304 1.290) 1.836 2.830 ( 0.566 -1.051 0.628) 1.348 2.830 ( 0.566 1.051 0.628) 1.348 3.100 ( -0.247 -0.620 0.900) 1.120 3.100 ( -0.247 0.620 0.900) 1.120 3.171 ( 0.591 -0.851 -3.069) 3.240 3.171 ( 0.591 0.851 -3.069) 3.240 3.716 ( -1.563 -0.431 4.552) 4.833 3.716 ( -1.563 0.431 4.552) 4.833 3.853 ( 1.346 -0.671 -2.432) 2.860 3.853 ( 1.346 0.671 -2.432) 2.860 4.121 ( 0.282 -0.233 -0.164) 0.401 4.121 ( 0.282 0.233 -0.164) 0.401 4.339 ( -0.258 -0.421 0.251) 0.554 4.339 ( -0.258 0.421 0.251) 0.554 4.839 ( 1.547 -1.511 3.201) 3.863 4.839 ( 1.547 1.511 3.201) 3.863 4.921 ( -1.444 -2.392 -3.097) 4.171 4.921 ( -1.444 2.392 -3.097) 4.171 5.669 ( 0.039 -0.074 0.171) 0.190 5.669 ( 0.039 0.074 0.171) 0.190 5.782 ( -0.058 -0.192 -0.105) 0.226 5.782 ( -0.058 0.192 -0.105) 0.226 6.779 ( 2.787 -5.748 5.383) 8.353 6.779 ( 2.787 5.748 5.383) 8.353 6.920 ( -4.023 -3.916 -8.175) 9.917 6.920 ( -4.023 3.916 -8.175) 9.917 7.579 ( 1.458 -0.481 0.988) 1.825 7.579 ( 1.458 0.481 0.988) 1.825 7.618 ( -1.235 -1.362 -2.651) 3.226 7.618 ( -1.235 1.362 -2.651) 3.226 ======================= Grid point 145 (78/84) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.084 -3.049 0.461) 5.117 0.835 ( 4.084 3.049 0.461) 5.117 0.925 ( -2.791 -3.615 -5.491) 7.142 0.925 ( -2.791 3.615 -5.491) 7.142 0.987 ( 3.699 -1.426 0.490) 3.995 0.987 ( 3.699 1.426 0.490) 3.995 1.210 ( 2.295 -2.463 1.465) 3.672 1.210 ( 2.295 2.463 1.465) 3.672 1.469 ( -1.000 -3.074 -3.281) 4.606 1.469 ( -1.000 3.074 -3.281) 4.606 1.719 ( -0.084 -0.704 -0.158) 0.727 1.719 ( -0.084 0.704 -0.158) 0.727 1.838 ( -2.491 -4.602 1.959) 5.588 1.838 ( -2.491 4.602 1.959) 5.588 1.886 ( -1.378 -6.774 0.552) 6.934 1.886 ( -1.378 6.774 0.552) 6.934 1.988 ( 0.049 -1.462 -2.232) 2.669 1.988 ( 0.049 1.462 -2.232) 2.669 2.055 ( 1.631 -1.271 1.270) 2.426 2.055 ( 1.631 1.271 1.270) 2.426 2.209 ( 0.870 -4.714 1.733) 5.097 2.209 ( 0.870 4.714 1.733) 5.097 2.322 ( 2.242 -4.314 2.459) 5.449 2.322 ( 2.242 4.315 2.459) 5.449 2.362 ( 0.091 -0.714 -0.901) 1.153 2.362 ( 0.091 0.714 -0.901) 1.153 2.559 ( 0.164 -1.862 -0.083) 1.871 2.559 ( 0.164 1.862 -0.083) 1.871 2.704 ( 3.196 -3.156 -0.051) 4.492 2.704 ( 3.196 3.156 -0.051) 4.492 2.831 ( 0.099 -2.127 -0.841) 2.289 2.831 ( 0.099 2.127 -0.841) 2.289 3.113 ( 0.532 -0.590 0.262) 0.836 3.113 ( 0.532 0.590 0.262) 0.836 3.176 ( 2.526 -0.873 -1.150) 2.909 3.176 ( 2.526 0.873 -1.150) 2.909 3.719 ( -2.371 -0.567 3.652) 4.391 3.719 ( -2.371 0.567 3.652) 4.391 3.837 ( -0.143 -0.499 -3.051) 3.095 3.837 ( -0.143 0.499 -3.051) 3.095 4.118 ( -0.181 -2.052 -0.546) 2.131 4.118 ( -0.181 2.052 -0.546) 2.131 4.333 ( -0.815 -0.503 0.468) 1.066 4.333 ( -0.815 0.503 0.468) 1.066 4.850 ( -0.701 -2.142 -2.408) 3.298 4.850 ( -0.701 2.142 -2.408) 3.298 4.926 ( 2.375 -1.621 2.262) 3.659 4.926 ( 2.375 1.621 2.262) 3.659 5.670 ( 0.058 -0.425 -0.059) 0.433 5.670 ( 0.058 0.425 -0.059) 0.433 5.779 ( -0.281 -0.192 0.089) 0.352 5.779 ( -0.281 0.192 0.089) 0.352 6.743 ( -6.159 -6.351 -3.374) 9.469 6.743 ( -6.159 6.351 -3.374) 9.469 6.895 ( 1.348 -3.759 5.054) 6.441 6.895 ( 1.348 3.759 5.054) 6.441 7.575 ( -0.572 -0.596 -1.410) 1.634 7.575 ( -0.572 0.596 -1.410) 1.634 7.621 ( 1.376 -1.360 1.078) 2.215 7.621 ( 1.376 1.360 1.078) 2.215 ======================= Grid point 147 (79/84) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 1.647 -6.810 -3.191) 7.699 0.822 ( 1.647 6.810 -3.191) 7.699 0.939 ( 2.702 -6.171 0.791) 6.782 0.939 ( 2.702 6.171 0.791) 6.782 1.092 ( 6.848 -3.560 1.147) 7.803 1.092 ( 6.848 3.560 1.147) 7.803 1.251 ( 1.508 -0.838 -0.231) 1.741 1.251 ( 1.508 0.838 -0.231) 1.741 1.426 ( -0.076 -2.816 -1.060) 3.010 1.426 ( -0.076 2.816 -1.060) 3.010 1.701 ( -1.286 -3.227 -0.661) 3.536 1.701 ( -1.286 3.227 -0.661) 3.536 1.805 ( -1.639 -2.840 -0.588) 3.332 1.805 ( -1.639 2.840 -0.588) 3.332 1.861 ( -2.162 -1.493 1.805) 3.187 1.861 ( -2.162 1.493 1.805) 3.187 1.993 ( 1.354 -1.831 -1.016) 2.494 1.993 ( 1.354 1.831 -1.016) 2.494 2.086 ( 0.926 -1.834 -0.153) 2.061 2.086 ( 0.926 1.834 -0.153) 2.061 2.253 ( 1.586 -3.651 -0.041) 3.981 2.253 ( 1.586 3.651 -0.041) 3.981 2.334 ( -1.325 -1.351 -2.049) 2.790 2.334 ( -1.325 1.351 -2.049) 2.790 2.384 ( 1.128 -2.975 2.421) 3.998 2.384 ( 1.128 2.975 2.421) 3.998 2.572 ( 0.969 -1.739 0.754) 2.129 2.572 ( 0.969 1.739 0.754) 2.129 2.753 ( 2.158 -3.181 0.626) 3.894 2.753 ( 2.158 3.181 0.626) 3.894 2.846 ( 2.477 -2.667 -0.493) 3.673 2.846 ( 2.477 2.667 -0.493) 3.673 3.119 ( 0.309 -0.733 -0.117) 0.804 3.119 ( 0.309 0.733 -0.117) 0.804 3.225 ( 3.064 -1.024 -0.395) 3.254 3.225 ( 3.064 1.024 -0.395) 3.254 3.703 ( -3.290 -1.204 3.739) 5.124 3.703 ( -3.290 1.204 3.739) 5.124 3.799 ( -0.107 -1.146 -4.101) 4.259 3.799 ( -0.107 1.146 -4.101) 4.259 4.108 ( -0.192 -2.848 -0.611) 2.919 4.108 ( -0.192 2.848 -0.611) 2.919 4.318 ( -1.326 -0.732 0.414) 1.570 4.318 ( -1.326 0.732 0.414) 1.570 4.832 ( 1.031 -2.490 -1.493) 3.081 4.832 ( 1.031 2.490 -1.493) 3.081 4.983 ( 1.630 -1.926 1.451) 2.911 4.983 ( 1.630 1.926 1.451) 2.911 5.670 ( 0.080 -0.646 -0.191) 0.679 5.670 ( 0.080 0.646 -0.191) 0.679 5.773 ( -0.531 -0.304 0.057) 0.615 5.773 ( -0.531 0.304 0.057) 0.615 6.628 ( -4.010 -5.827 -1.236) 7.180 6.628 ( -4.010 5.827 -1.236) 7.180 6.923 ( -3.262 -3.327 3.696) 5.947 6.923 ( -3.262 3.327 3.696) 5.947 7.579 ( 1.098 -0.391 1.071) 1.582 7.579 ( 1.098 0.391 1.071) 1.582 7.645 ( 0.507 -1.981 0.633) 2.141 7.645 ( 0.507 1.981 0.633) 2.141 ======================= Grid point 149 (80/84) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 4.280 -3.112 0.862) 5.361 0.892 ( 4.280 3.112 0.862) 5.361 0.975 ( 1.992 -5.990 2.540) 6.805 0.975 ( 1.992 5.990 2.540) 6.805 1.202 ( 2.718 -2.830 -0.962) 4.040 1.202 ( 2.718 2.830 -0.962) 4.040 1.324 ( 6.868 -0.775 3.176) 7.607 1.324 ( 6.868 0.775 3.176) 7.607 1.444 ( 1.075 -1.875 1.992) 2.940 1.444 ( 1.075 1.875 1.992) 2.940 1.674 ( -0.371 -3.355 -0.956) 3.508 1.674 ( -0.371 3.355 -0.956) 3.508 1.790 ( -0.452 -0.539 1.058) 1.270 1.790 ( -0.452 0.539 1.058) 1.270 1.850 ( -0.398 -0.923 1.684) 1.961 1.850 ( -0.398 0.923 1.684) 1.961 1.988 ( -1.090 -1.250 -0.830) 1.855 1.988 ( -1.090 1.250 -0.830) 1.855 2.086 ( 0.483 -3.465 -2.055) 4.057 2.086 ( 0.483 3.465 -2.055) 4.057 2.213 ( -2.695 -0.597 -4.786) 5.526 2.213 ( -2.695 0.597 -4.786) 5.526 2.270 ( -3.475 -1.739 -4.963) 6.303 2.270 ( -3.475 1.739 -4.963) 6.303 2.413 ( 0.287 -1.629 2.036) 2.623 2.413 ( 0.287 1.629 2.036) 2.623 2.604 ( 1.557 -0.765 0.682) 1.864 2.604 ( 1.557 0.765 0.682) 1.864 2.800 ( 0.352 -4.051 4.232) 5.869 2.800 ( 0.352 4.051 4.232) 5.869 2.896 ( 3.596 -1.719 -1.310) 4.196 2.896 ( 3.596 1.719 -1.310) 4.196 3.130 ( 0.792 -0.547 0.654) 1.163 3.130 ( 0.792 0.547 0.654) 1.163 3.262 ( 1.693 -1.088 -1.116) 2.301 3.262 ( 1.693 1.088 -1.116) 2.301 3.674 ( -4.211 -1.694 4.570) 6.442 3.674 ( -4.211 1.694 4.570) 6.442 3.766 ( 1.359 -1.861 -5.031) 5.534 3.766 ( 1.359 1.861 -5.031) 5.534 4.106 ( 0.484 -2.173 -0.173) 2.233 4.106 ( 0.484 2.173 -0.173) 2.233 4.298 ( -1.233 -1.031 0.313) 1.637 4.298 ( -1.233 1.031 0.313) 1.637 4.855 ( 1.960 -2.569 0.117) 3.233 4.855 ( 1.960 2.569 0.117) 3.233 5.006 ( 0.173 -1.904 0.053) 1.913 5.006 ( 0.173 1.904 0.053) 1.913 5.671 ( 0.132 -0.616 -0.132) 0.644 5.671 ( 0.132 0.616 -0.132) 0.644 5.762 ( -0.624 -0.297 -0.176) 0.713 5.762 ( -0.624 0.297 -0.176) 0.713 6.580 ( -1.185 -3.847 0.468) 4.052 6.580 ( -1.185 3.847 0.468) 4.052 6.865 ( -4.493 -2.923 0.430) 5.378 6.865 ( -4.493 2.923 0.430) 5.378 7.613 ( 0.376 -0.184 2.267) 2.305 7.613 ( 0.376 0.184 2.267) 2.305 7.657 ( 0.703 -1.637 0.006) 1.781 7.657 ( 0.703 1.637 0.006) 1.781 ======================= Grid point 151 (81/84) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 1.361 -1.788 0.687) 2.349 0.944 ( 1.361 1.788 0.687) 2.349 1.050 ( 0.627 -3.497 2.861) 4.562 1.050 ( 0.627 3.497 2.861) 4.562 1.180 ( -1.196 -2.982 -2.834) 4.284 1.180 ( -1.196 2.982 -2.834) 4.284 1.426 ( 0.340 -0.895 2.504) 2.681 1.426 ( 0.340 0.895 2.504) 2.681 1.532 ( 3.867 -1.220 2.446) 4.736 1.532 ( 3.867 1.220 2.446) 4.736 1.665 ( -0.276 -0.305 -1.406) 1.465 1.665 ( -0.276 0.305 -1.406) 1.465 1.818 ( 1.391 -3.711 4.194) 5.770 1.818 ( 1.391 3.711 4.194) 5.770 1.877 ( -0.015 -0.465 0.528) 0.704 1.877 ( -0.015 0.465 0.528) 0.704 1.958 ( -0.372 -1.236 -0.504) 1.385 1.958 ( -0.372 1.236 -0.504) 1.386 2.058 ( -0.833 -3.884 -1.571) 4.272 2.058 ( -0.833 3.884 -1.571) 4.272 2.119 ( -3.891 -3.370 -4.174) 6.627 2.119 ( -3.891 3.370 -4.174) 6.627 2.147 ( -0.758 -1.637 -4.144) 4.520 2.147 ( -0.758 1.637 -4.144) 4.520 2.433 ( -0.053 -0.969 1.357) 1.669 2.433 ( -0.053 0.969 1.357) 1.669 2.626 ( 0.524 -0.374 -0.497) 0.813 2.626 ( 0.524 0.374 -0.497) 0.813 2.834 ( -1.420 -3.463 4.583) 5.917 2.834 ( -1.420 3.463 4.583) 5.917 2.929 ( 1.788 -2.245 -2.607) 3.877 2.929 ( 1.788 2.245 -2.607) 3.877 3.155 ( 0.907 -0.183 0.718) 1.171 3.155 ( 0.907 0.183 0.718) 1.171 3.266 ( 0.604 -0.744 -1.755) 2.000 3.266 ( 0.604 0.744 -1.755) 2.000 3.645 ( -4.221 -1.861 5.546) 7.214 3.645 ( -4.221 1.861 5.546) 7.214 3.756 ( 2.831 -1.939 -4.905) 5.986 3.756 ( 2.831 1.939 -4.905) 5.986 4.115 ( 0.441 -0.637 -0.233) 0.809 4.115 ( 0.441 0.637 -0.233) 0.809 4.286 ( -0.288 -0.820 0.372) 0.945 4.286 ( -0.288 0.820 0.372) 0.945 4.885 ( 0.593 -1.253 0.278) 1.414 4.885 ( 0.593 1.253 0.278) 1.414 4.998 ( -0.522 -0.603 -0.160) 0.813 4.998 ( -0.522 0.603 -0.160) 0.813 5.671 ( 0.016 -0.306 -0.061) 0.313 5.671 ( 0.016 0.306 -0.061) 0.313 5.753 ( -0.083 -0.104 -0.140) 0.193 5.753 ( -0.083 0.104 -0.140) 0.193 6.583 ( 0.535 -1.357 0.452) 1.527 6.583 ( 0.535 1.357 0.452) 1.527 6.810 ( -0.797 -1.056 -0.057) 1.324 6.810 ( -0.797 1.056 -0.057) 1.324 7.630 ( 0.038 -0.193 1.314) 1.329 7.630 ( 0.038 0.193 1.314) 1.329 7.669 ( 0.354 -0.602 -0.164) 0.717 7.669 ( 0.354 0.602 -0.164) 0.717 ======================= Grid point 153 (82/84) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -2.771 -1.684 -2.259) 3.952 0.926 ( -2.771 1.684 -2.259) 3.952 1.008 ( -5.071 -4.821 -0.033) 6.997 1.008 ( -5.071 4.821 -0.033) 6.997 1.170 ( -0.409 -1.951 1.298) 2.379 1.170 ( -0.409 1.951 1.298) 2.379 1.411 ( -4.472 -1.498 -2.702) 5.436 1.411 ( -4.472 1.498 -2.702) 5.436 1.504 ( -2.960 -5.165 -4.798) 7.646 1.504 ( -2.960 5.165 -4.798) 7.646 1.645 ( -0.676 -1.178 1.392) 1.945 1.645 ( -0.676 1.178 1.392) 1.945 1.817 ( -1.643 -0.642 -0.581) 1.857 1.817 ( -1.643 0.642 -0.581) 1.857 1.875 ( -0.177 -1.805 -0.587) 1.906 1.875 ( -0.177 1.805 -0.587) 1.906 1.963 ( 1.202 -3.795 1.473) 4.244 1.963 ( 1.202 3.795 1.473) 4.244 2.066 ( 0.538 -4.241 -0.296) 4.285 2.066 ( 0.538 4.241 -0.296) 4.285 2.141 ( 3.059 -2.077 3.742) 5.261 2.141 ( 3.059 2.077 3.742) 5.261 2.153 ( 3.954 -1.406 2.763) 5.024 2.153 ( 3.954 1.406 2.763) 5.024 2.437 ( -0.120 -1.238 0.184) 1.258 2.437 ( -0.120 1.238 0.184) 1.258 2.615 ( -0.863 -1.329 -0.759) 1.757 2.615 ( -0.863 1.329 -0.759) 1.757 2.825 ( -3.535 -2.316 2.406) 4.863 2.825 ( -3.535 2.316 2.406) 4.863 2.909 ( -0.811 -2.772 -2.900) 4.092 2.909 ( -0.811 2.772 -2.900) 4.092 3.157 ( -0.627 -0.185 -1.039) 1.228 3.157 ( -0.627 0.185 -1.039) 1.228 3.260 ( 0.551 -0.384 -1.715) 1.842 3.260 ( 0.551 0.384 -1.715) 1.842 3.636 ( -3.049 -1.562 6.572) 7.411 3.636 ( -3.049 1.562 6.572) 7.411 3.772 ( 3.604 -1.941 -4.083) 5.782 3.772 ( 3.604 1.941 -4.083) 5.782 4.112 ( -0.134 -1.609 -0.704) 1.761 4.112 ( -0.134 1.609 -0.704) 1.761 4.296 ( 0.802 -0.169 0.486) 0.953 4.296 ( 0.802 0.169 0.486) 0.953 4.865 ( -2.267 -1.446 -0.805) 2.807 4.865 ( -2.267 1.446 -0.805) 2.807 4.999 ( 0.155 -2.281 0.691) 2.388 4.999 ( 0.155 2.281 0.691) 2.388 5.669 ( -0.191 -0.340 -0.016) 0.390 5.669 ( -0.191 0.340 -0.016) 0.390 5.758 ( 0.668 -0.404 0.113) 0.788 5.758 ( 0.668 0.404 0.113) 0.788 6.594 ( 1.021 -2.137 -0.784) 2.495 6.594 ( 1.021 2.137 -0.784) 2.495 6.856 ( 4.931 -1.282 1.248) 5.246 6.856 ( 4.931 1.282 1.248) 5.246 7.644 ( 0.218 -0.841 0.242) 0.902 7.644 ( 0.218 0.841 0.242) 0.902 7.661 ( -0.241 -0.284 -0.949) 1.020 7.661 ( -0.241 0.284 -0.949) 1.020 ======================= Grid point 155 (83/84) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -6.247 -5.155 -1.345) 8.211 0.811 ( -6.247 5.155 -1.345) 8.211 0.935 ( -4.401 -7.731 0.528) 8.912 0.935 ( -4.401 7.731 0.528) 8.912 1.134 ( -4.547 -3.041 -1.272) 5.616 1.134 ( -4.547 3.041 -1.272) 5.616 1.260 ( -2.571 -1.585 -3.387) 4.538 1.260 ( -2.571 1.585 -3.387) 4.538 1.447 ( -1.515 -2.964 -2.161) 3.969 1.447 ( -1.515 2.964 -2.161) 3.969 1.668 ( 0.987 -3.148 2.274) 4.006 1.668 ( 0.987 3.148 2.274) 4.006 1.798 ( 0.052 -2.042 -0.378) 2.077 1.798 ( 0.052 2.042 -0.378) 2.077 1.889 ( 1.884 -1.703 0.027) 2.540 1.889 ( 1.884 1.703 0.027) 2.540 1.982 ( -0.240 -4.623 -0.138) 4.631 1.982 ( -0.240 4.623 -0.138) 4.632 2.076 ( 0.279 -2.270 0.648) 2.377 2.076 ( 0.279 2.270 0.648) 2.377 2.208 ( 1.206 -0.197 2.953) 3.196 2.208 ( 1.206 0.197 2.953) 3.196 2.263 ( 2.141 -2.778 4.721) 5.881 2.263 ( 2.141 2.778 4.721) 5.881 2.431 ( -0.025 -1.201 -1.651) 2.042 2.431 ( -0.025 1.201 -1.651) 2.042 2.592 ( -0.792 -2.007 -0.682) 2.263 2.592 ( -0.792 2.007 -0.682) 2.263 2.755 ( -5.191 -0.652 0.246) 5.238 2.755 ( -5.191 0.652 0.246) 5.238 2.858 ( -2.303 -2.956 -1.319) 3.972 2.858 ( -2.303 2.956 -1.319) 3.972 3.129 ( -1.063 -0.154 -0.804) 1.342 3.129 ( -1.063 0.154 -0.804) 1.342 3.243 ( -0.377 -0.976 -2.617) 2.818 3.243 ( -0.377 0.976 -2.617) 2.818 3.657 ( -1.757 -1.033 6.695) 6.998 3.657 ( -1.757 1.033 6.695) 6.998 3.804 ( 3.676 -1.729 -3.212) 5.179 3.804 ( 3.676 1.729 -3.212) 5.179 4.106 ( 0.249 -2.583 -0.465) 2.636 4.106 ( 0.249 2.583 -0.465) 2.636 4.318 ( 1.023 -0.089 0.445) 1.119 4.318 ( 1.023 0.089 0.445) 1.119 4.815 ( -2.383 -1.807 0.092) 2.992 4.815 ( -2.383 1.807 0.092) 2.992 5.001 ( -0.431 -2.835 -0.240) 2.878 5.001 ( -0.431 2.835 -0.240) 2.878 5.666 ( -0.155 -0.379 0.143) 0.433 5.666 ( -0.155 0.379 0.143) 0.433 5.773 ( 0.716 -0.499 0.077) 0.877 5.773 ( 0.716 0.499 0.077) 0.877 6.618 ( 2.493 -4.310 -0.217) 4.984 6.618 ( 2.493 4.310 -0.217) 4.984 6.972 ( 6.549 -2.479 -0.679) 7.035 6.972 ( 6.549 2.479 -0.679) 7.035 7.611 ( -2.245 -0.590 -1.495) 2.761 7.611 ( -2.245 0.590 -1.495) 2.761 7.668 ( 1.214 -2.265 -1.515) 2.983 7.668 ( 1.214 2.265 -1.515) 2.983 ======================= Grid point 157 (84/84) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -2.164 -4.469 5.217) 7.202 0.759 ( -2.164 4.469 5.217) 7.202 0.862 ( -1.796 -9.533 1.407) 9.803 0.862 ( -1.796 9.533 1.407) 9.803 1.030 ( -3.535 -3.529 -3.154) 5.907 1.030 ( -3.535 3.529 -3.154) 5.907 1.253 ( 0.696 -1.293 -1.794) 2.318 1.253 ( 0.696 1.293 -1.794) 2.318 1.420 ( 0.422 -3.949 0.665) 4.027 1.420 ( 0.422 3.949 0.665) 4.027 1.703 ( 0.420 -2.951 1.657) 3.410 1.703 ( 0.420 2.951 1.657) 3.410 1.822 ( 1.569 -5.008 1.920) 5.589 1.822 ( 1.569 5.008 1.920) 5.589 1.919 ( 1.293 -4.038 -1.113) 4.384 1.919 ( 1.293 4.038 -1.113) 4.384 1.968 ( 0.115 -2.809 -0.687) 2.894 1.968 ( 0.115 2.809 -0.687) 2.894 2.077 ( -0.711 -0.709 -0.443) 1.098 2.077 ( -0.711 0.709 -0.443) 1.098 2.209 ( -2.440 -2.735 1.310) 3.892 2.209 ( -2.440 2.735 1.310) 3.892 2.319 ( 0.070 -3.182 2.302) 3.928 2.319 ( 0.070 3.182 2.302) 3.928 2.400 ( -0.841 -3.343 -3.530) 4.934 2.400 ( -0.841 3.343 -3.530) 4.934 2.571 ( -0.379 -1.963 -0.893) 2.190 2.571 ( -0.379 1.963 -0.893) 2.190 2.682 ( -3.366 -1.743 1.343) 4.021 2.682 ( -3.366 1.743 1.343) 4.021 2.820 ( -1.022 -2.922 0.518) 3.139 2.820 ( -1.022 2.922 0.518) 3.139 3.108 ( -1.067 -0.836 0.244) 1.377 3.108 ( -1.067 0.836 0.244) 1.377 3.203 ( -0.573 -1.034 -3.417) 3.615 3.203 ( -0.573 1.034 -3.417) 3.615 3.691 ( -1.255 -0.683 5.789) 5.962 3.691 ( -1.255 0.683 5.789) 5.962 3.837 ( 2.933 -1.221 -2.524) 4.057 3.837 ( 2.933 1.221 -2.524) 4.057 4.113 ( 0.616 -2.175 -0.068) 2.262 4.113 ( 0.616 2.175 -0.068) 2.262 4.335 ( 0.491 -0.377 0.288) 0.683 4.335 ( 0.491 0.377 0.288) 0.683 4.799 ( -0.345 -1.600 2.074) 2.643 4.799 ( -0.345 1.600 2.074) 2.643 4.974 ( -1.383 -2.707 -1.993) 3.635 4.974 ( -1.383 2.707 -1.993) 3.635 5.667 ( -0.037 -0.225 0.256) 0.343 5.667 ( -0.037 0.225 0.256) 0.343 5.782 ( 0.304 -0.420 -0.125) 0.533 5.782 ( 0.304 0.420 -0.125) 0.533 6.681 ( 3.637 -5.739 2.090) 7.108 6.681 ( 3.637 5.739 2.090) 7.108 7.023 ( 1.492 -2.194 -5.930) 6.497 7.023 ( 1.492 2.194 -5.930) 6.497 7.566 ( -0.904 -0.188 -0.519) 1.059 7.566 ( -0.904 0.188 -0.519) 1.059 7.658 ( -0.153 -2.304 -2.666) 3.526 7.658 ( -0.153 2.304 -2.666) 3.526 =================== 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 3/14400 10.0 12.484 13.950 10.782 0.000 6.129 0.000 3/14400 20.0 4.038 4.740 3.129 0.000 1.716 0.000 3/14400 30.0 2.177 2.634 1.688 0.000 0.891 0.000 3/14400 40.0 1.481 1.816 1.166 0.000 0.589 0.000 3/14400 50.0 1.131 1.392 0.904 0.000 0.439 0.000 3/14400 60.0 0.921 1.135 0.747 0.000 0.350 0.000 3/14400 70.0 0.782 0.962 0.642 0.000 0.292 0.000 3/14400 80.0 0.682 0.838 0.566 0.000 0.252 0.000 3/14400 90.0 0.606 0.744 0.508 0.000 0.221 0.000 3/14400 100.0 0.547 0.670 0.461 0.000 0.198 0.000 3/14400 110.0 0.499 0.610 0.423 0.000 0.180 0.000 3/14400 120.0 0.459 0.561 0.391 0.000 0.165 0.000 3/14400 130.0 0.425 0.519 0.364 0.000 0.152 0.000 3/14400 140.0 0.396 0.483 0.340 0.000 0.141 0.000 3/14400 150.0 0.370 0.452 0.319 0.000 0.132 0.000 3/14400 160.0 0.348 0.424 0.301 0.000 0.124 0.000 3/14400 170.0 0.329 0.400 0.285 0.000 0.117 0.000 3/14400 180.0 0.311 0.378 0.270 0.000 0.110 0.000 3/14400 190.0 0.295 0.359 0.257 0.000 0.104 0.000 3/14400 200.0 0.281 0.342 0.245 0.000 0.099 0.000 3/14400 210.0 0.268 0.326 0.234 0.000 0.095 0.000 3/14400 220.0 0.257 0.311 0.224 0.000 0.091 0.000 3/14400 230.0 0.246 0.298 0.215 0.000 0.087 0.000 3/14400 240.0 0.236 0.286 0.206 0.000 0.083 0.000 3/14400 250.0 0.227 0.275 0.199 0.000 0.080 0.000 3/14400 260.0 0.218 0.265 0.191 0.000 0.077 0.000 3/14400 270.0 0.210 0.255 0.185 0.000 0.074 0.000 3/14400 280.0 0.203 0.246 0.178 0.000 0.071 0.000 3/14400 290.0 0.196 0.238 0.173 0.000 0.069 0.000 3/14400 300.0 0.190 0.230 0.167 0.000 0.067 0.000 3/14400 310.0 0.184 0.223 0.162 0.000 0.065 0.000 3/14400 320.0 0.178 0.216 0.157 0.000 0.063 0.000 3/14400 330.0 0.173 0.210 0.152 0.000 0.061 0.000 3/14400 340.0 0.168 0.204 0.148 0.000 0.059 0.000 3/14400 350.0 0.163 0.198 0.144 0.000 0.057 0.000 3/14400 360.0 0.159 0.192 0.140 0.000 0.056 0.000 3/14400 370.0 0.155 0.187 0.137 0.000 0.054 0.000 3/14400 380.0 0.151 0.182 0.133 0.000 0.053 0.000 3/14400 390.0 0.147 0.178 0.130 0.000 0.052 0.000 3/14400 400.0 0.143 0.173 0.127 0.000 0.050 0.000 3/14400 410.0 0.140 0.169 0.124 0.000 0.049 0.000 3/14400 420.0 0.137 0.165 0.121 0.000 0.048 0.000 3/14400 430.0 0.134 0.162 0.118 0.000 0.047 0.000 3/14400 440.0 0.131 0.158 0.115 0.000 0.046 0.000 3/14400 450.0 0.128 0.154 0.113 0.000 0.045 0.000 3/14400 460.0 0.125 0.151 0.110 0.000 0.044 0.000 3/14400 470.0 0.122 0.148 0.108 0.000 0.043 0.000 3/14400 480.0 0.120 0.145 0.106 0.000 0.042 0.000 3/14400 490.0 0.118 0.142 0.104 0.000 0.041 0.000 3/14400 500.0 0.115 0.139 0.102 0.000 0.040 0.000 3/14400 510.0 0.113 0.137 0.100 0.000 0.040 0.000 3/14400 520.0 0.111 0.134 0.098 0.000 0.039 0.000 3/14400 530.0 0.109 0.131 0.096 0.000 0.038 0.000 3/14400 540.0 0.107 0.129 0.094 0.000 0.037 0.000 3/14400 550.0 0.105 0.127 0.093 0.000 0.037 0.000 3/14400 560.0 0.103 0.124 0.091 0.000 0.036 0.000 3/14400 570.0 0.101 0.122 0.090 0.000 0.036 0.000 3/14400 580.0 0.100 0.120 0.088 0.000 0.035 0.000 3/14400 590.0 0.098 0.118 0.087 0.000 0.034 0.000 3/14400 600.0 0.096 0.116 0.085 0.000 0.034 0.000 3/14400 610.0 0.095 0.114 0.084 0.000 0.033 0.000 3/14400 620.0 0.093 0.113 0.083 0.000 0.033 0.000 3/14400 630.0 0.092 0.111 0.081 0.000 0.032 0.000 3/14400 640.0 0.090 0.109 0.080 0.000 0.032 0.000 3/14400 650.0 0.089 0.107 0.079 0.000 0.031 0.000 3/14400 660.0 0.088 0.106 0.078 0.000 0.031 0.000 3/14400 670.0 0.086 0.104 0.076 0.000 0.030 0.000 3/14400 680.0 0.085 0.103 0.075 0.000 0.030 0.000 3/14400 690.0 0.084 0.101 0.074 0.000 0.029 0.000 3/14400 700.0 0.083 0.100 0.073 0.000 0.029 0.000 3/14400 710.0 0.081 0.098 0.072 0.000 0.029 0.000 3/14400 720.0 0.080 0.097 0.071 0.000 0.028 0.000 3/14400 730.0 0.079 0.096 0.070 0.000 0.028 0.000 3/14400 740.0 0.078 0.094 0.069 0.000 0.027 0.000 3/14400 750.0 0.077 0.093 0.068 0.000 0.027 0.000 3/14400 760.0 0.076 0.092 0.068 0.000 0.027 0.000 3/14400 770.0 0.075 0.091 0.067 0.000 0.026 0.000 3/14400 780.0 0.074 0.090 0.066 0.000 0.026 0.000 3/14400 790.0 0.073 0.088 0.065 0.000 0.026 0.000 3/14400 800.0 0.072 0.087 0.064 0.000 0.025 0.000 3/14400 810.0 0.072 0.086 0.063 0.000 0.025 0.000 3/14400 820.0 0.071 0.085 0.063 0.000 0.025 0.000 3/14400 830.0 0.070 0.084 0.062 0.000 0.024 0.000 3/14400 840.0 0.069 0.083 0.061 0.000 0.024 0.000 3/14400 850.0 0.068 0.082 0.060 0.000 0.024 0.000 3/14400 860.0 0.067 0.081 0.060 0.000 0.024 0.000 3/14400 870.0 0.067 0.080 0.059 0.000 0.023 0.000 3/14400 880.0 0.066 0.080 0.058 0.000 0.023 0.000 3/14400 890.0 0.065 0.079 0.058 0.000 0.023 0.000 3/14400 900.0 0.064 0.078 0.057 0.000 0.023 0.000 3/14400 910.0 0.064 0.077 0.057 0.000 0.022 0.000 3/14400 920.0 0.063 0.076 0.056 0.000 0.022 0.000 3/14400 930.0 0.062 0.075 0.055 0.000 0.022 0.000 3/14400 940.0 0.062 0.074 0.055 0.000 0.022 0.000 3/14400 950.0 0.061 0.074 0.054 0.000 0.021 0.000 3/14400 960.0 0.060 0.073 0.054 0.000 0.021 0.000 3/14400 970.0 0.060 0.072 0.053 0.000 0.021 0.000 3/14400 980.0 0.059 0.071 0.053 0.000 0.021 0.000 3/14400 990.0 0.059 0.071 0.052 0.000 0.021 0.000 3/14400 1000.0 0.058 0.070 0.051 0.000 0.020 0.000 3/14400 Thermal conductivity related properties were written into "kappa-m865.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:30:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|