----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:35:19]------------------------- 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 5.510876840000212 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935989980000000 0.000000000000000 c -5.426471566963066 0.000000000000000 7.949216023433975 Atomic positions (fractional): *1 O 0.27543456636788 0.28021914513527 0.43867587891847 15.999 2 O 0.72456543363212 0.78021914513527 0.06132412108153 15.999 3 O 0.72456543363212 0.71978085486473 0.56132412108153 15.999 4 O 0.27543456636788 0.21978085486473 0.93867587891847 15.999 *5 O 0.37510351125712 0.95798457173981 0.26767894775526 15.999 6 O 0.62489648874288 0.45798457173981 0.23232105224474 15.999 7 O 0.62489648874288 0.04201542826019 0.73232105224474 15.999 8 O 0.37510351125712 0.54201542826019 0.76767894775526 15.999 *9 O 0.15868821843438 0.67276910083324 0.95094739545006 15.999 10 O 0.84131178156562 0.17276910083324 0.54905260454994 15.999 11 O 0.84131178156562 0.32723089916676 0.04905260454994 15.999 12 O 0.15868821843438 0.82723089916676 0.45094739545006 15.999 *13 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 14 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 *15 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 16 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 *17 La 0.22989623737270 0.57050813361588 0.24759292830726 138.905 18 La 0.77010376262730 0.07050813361588 0.25240707169274 138.905 19 La 0.77010376262730 0.42949186638412 0.75240707169274 138.905 20 La 0.22989623737270 0.92949186638412 0.74759292830726 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.510876840000212 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935989980000000 0.000000000000000 c -5.426471566963066 0.000000000000000 7.949216023433975 Atomic positions (fractional): *1 O 0.27543456636788 0.28021914513527 0.43867587891847 15.999 > 1 2 O 0.72456543363212 0.78021914513527 0.06132412108153 15.999 > 2 3 O 0.72456543363212 0.71978085486473 0.56132412108153 15.999 > 3 4 O 0.27543456636788 0.21978085486473 0.93867587891847 15.999 > 4 *5 O 0.37510351125712 0.95798457173981 0.26767894775526 15.999 > 5 6 O 0.62489648874288 0.45798457173981 0.23232105224474 15.999 > 6 7 O 0.62489648874288 0.04201542826019 0.73232105224474 15.999 > 7 8 O 0.37510351125712 0.54201542826019 0.76767894775526 15.999 > 8 *9 O 0.15868821843438 0.67276910083324 0.95094739545006 15.999 > 9 10 O 0.84131178156562 0.17276910083324 0.54905260454994 15.999 > 10 11 O 0.84131178156562 0.32723089916676 0.04905260454994 15.999 > 11 12 O 0.15868821843438 0.82723089916676 0.45094739545006 15.999 > 12 *13 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 13 14 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 14 *15 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 > 15 16 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 > 16 *17 La 0.22989623737270 0.57050813361588 0.24759292830726 138.905 > 17 18 La 0.77010376262730 0.07050813361588 0.25240707169274 138.905 > 18 19 La 0.77010376262730 0.42949186638412 0.75240707169274 138.905 > 19 20 La 0.22989623737270 0.92949186638412 0.74759292830726 138.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.021753680000424 0.000000000000000 0.000000000000000 b 0.000000000000000 11.871979960000001 0.000000000000000 c -5.426471566963066 0.000000000000000 7.949216023433975 Atomic positions (fractional): *1 O 0.13771728318394 0.14010957256764 0.43867587891847 15.999 > 1 2 O 0.63771728318394 0.14010957256764 0.43867587891847 15.999 > 1 3 O 0.13771728318394 0.64010957256764 0.43867587891847 15.999 > 1 4 O 0.63771728318394 0.64010957256764 0.43867587891847 15.999 > 1 5 O 0.36228271681606 0.39010957256764 0.06132412108153 15.999 > 2 6 O 0.86228271681606 0.39010957256764 0.06132412108153 15.999 > 2 7 O 0.36228271681606 0.89010957256764 0.06132412108153 15.999 > 2 8 O 0.86228271681606 0.89010957256764 0.06132412108153 15.999 > 2 9 O 0.36228271681606 0.35989042743236 0.56132412108153 15.999 > 3 10 O 0.86228271681606 0.35989042743236 0.56132412108153 15.999 > 3 11 O 0.36228271681606 0.85989042743236 0.56132412108153 15.999 > 3 12 O 0.86228271681606 0.85989042743236 0.56132412108153 15.999 > 3 13 O 0.13771728318394 0.10989042743236 0.93867587891847 15.999 > 4 14 O 0.63771728318394 0.10989042743236 0.93867587891847 15.999 > 4 15 O 0.13771728318394 0.60989042743236 0.93867587891847 15.999 > 4 16 O 0.63771728318394 0.60989042743236 0.93867587891847 15.999 > 4 *17 O 0.18755175562856 0.47899228586990 0.26767894775526 15.999 > 5 18 O 0.68755175562856 0.47899228586990 0.26767894775526 15.999 > 5 19 O 0.18755175562856 0.97899228586990 0.26767894775526 15.999 > 5 20 O 0.68755175562856 0.97899228586990 0.26767894775526 15.999 > 5 21 O 0.31244824437144 0.22899228586990 0.23232105224474 15.999 > 6 22 O 0.81244824437144 0.22899228586990 0.23232105224474 15.999 > 6 23 O 0.31244824437144 0.72899228586990 0.23232105224474 15.999 > 6 24 O 0.81244824437144 0.72899228586990 0.23232105224474 15.999 > 6 25 O 0.31244824437144 0.02100771413010 0.73232105224474 15.999 > 7 26 O 0.81244824437144 0.02100771413010 0.73232105224474 15.999 > 7 27 O 0.31244824437144 0.52100771413010 0.73232105224474 15.999 > 7 28 O 0.81244824437144 0.52100771413010 0.73232105224474 15.999 > 7 29 O 0.18755175562856 0.27100771413010 0.76767894775526 15.999 > 8 30 O 0.68755175562856 0.27100771413010 0.76767894775526 15.999 > 8 31 O 0.18755175562856 0.77100771413010 0.76767894775526 15.999 > 8 32 O 0.68755175562856 0.77100771413010 0.76767894775526 15.999 > 8 *33 O 0.07934410921719 0.33638455041662 0.95094739545006 15.999 > 9 34 O 0.57934410921719 0.33638455041662 0.95094739545006 15.999 > 9 35 O 0.07934410921719 0.83638455041662 0.95094739545006 15.999 > 9 36 O 0.57934410921719 0.83638455041662 0.95094739545006 15.999 > 9 37 O 0.42065589078281 0.08638455041662 0.54905260454994 15.999 > 10 38 O 0.92065589078281 0.08638455041662 0.54905260454994 15.999 > 10 39 O 0.42065589078281 0.58638455041662 0.54905260454994 15.999 > 10 40 O 0.92065589078281 0.58638455041662 0.54905260454994 15.999 > 10 41 O 0.42065589078281 0.16361544958338 0.04905260454994 15.999 > 11 42 O 0.92065589078281 0.16361544958338 0.04905260454994 15.999 > 11 43 O 0.42065589078281 0.66361544958338 0.04905260454994 15.999 > 11 44 O 0.92065589078281 0.66361544958338 0.04905260454994 15.999 > 11 45 O 0.07934410921719 0.41361544958338 0.45094739545006 15.999 > 12 46 O 0.57934410921719 0.41361544958338 0.45094739545006 15.999 > 12 47 O 0.07934410921719 0.91361544958338 0.45094739545006 15.999 > 12 48 O 0.57934410921719 0.91361544958338 0.45094739545006 15.999 > 12 *49 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 13 50 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 13 51 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 13 52 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 13 53 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 14 54 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 14 55 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 14 56 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 14 *57 Ru 0.25000000000000 0.25000000000000 0.00000000000000 101.070 > 15 58 Ru 0.75000000000000 0.25000000000000 0.00000000000000 101.070 > 15 59 Ru 0.25000000000000 0.75000000000000 0.00000000000000 101.070 > 15 60 Ru 0.75000000000000 0.75000000000000 0.00000000000000 101.070 > 15 61 Ru 0.25000000000000 0.00000000000000 0.50000000000000 101.070 > 16 62 Ru 0.75000000000000 0.00000000000000 0.50000000000000 101.070 > 16 63 Ru 0.25000000000000 0.50000000000000 0.50000000000000 101.070 > 16 64 Ru 0.75000000000000 0.50000000000000 0.50000000000000 101.070 > 16 *65 La 0.11494811868635 0.28525406680794 0.24759292830726 138.905 > 17 66 La 0.61494811868635 0.28525406680794 0.24759292830726 138.905 > 17 67 La 0.11494811868635 0.78525406680794 0.24759292830726 138.905 > 17 68 La 0.61494811868635 0.78525406680794 0.24759292830726 138.905 > 17 69 La 0.38505188131365 0.03525406680794 0.25240707169274 138.905 > 18 70 La 0.88505188131365 0.03525406680794 0.25240707169274 138.905 > 18 71 La 0.38505188131365 0.53525406680794 0.25240707169274 138.905 > 18 72 La 0.88505188131365 0.53525406680794 0.25240707169274 138.905 > 18 73 La 0.38505188131365 0.21474593319206 0.75240707169274 138.905 > 19 74 La 0.88505188131365 0.21474593319206 0.75240707169274 138.905 > 19 75 La 0.38505188131365 0.71474593319206 0.75240707169274 138.905 > 19 76 La 0.88505188131365 0.71474593319206 0.75240707169274 138.905 > 19 77 La 0.11494811868635 0.46474593319206 0.74759292830726 138.905 > 20 78 La 0.61494811868635 0.46474593319206 0.74759292830726 138.905 > 20 79 La 0.11494811868635 0.96474593319206 0.74759292830726 138.905 > 20 80 La 0.61494811868635 0.96474593319206 0.74759292830726 138.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 562.4992074 0.0000000 123.2780976 0.0000000 1760.8178164 0.0000000 123.2643124 0.0000000 233.7486747 -------------------------- Born effective charges -------------------------- 1 O -0.8100952 2.9853369 -1.5905911 2.2647046 -8.2003300 0.2194878 -1.4463349 1.0487871 -0.8829361 2 O -0.8100952 -2.9853369 -1.5905911 -2.2647046 -8.2003300 -0.2194878 -1.4463349 -1.0487871 -0.8829361 3 O -0.8100952 2.9853369 -1.5905911 2.2647046 -8.2003300 0.2194878 -1.4463349 1.0487871 -0.8829361 4 O -0.8100952 -2.9853369 -1.5905911 -2.2647046 -8.2003300 -0.2194878 -1.4463349 -1.0487871 -0.8829361 5 O -3.6197909 -0.1429099 -0.1158042 3.8026947 0.6092695 -0.0002854 0.0190527 0.1544874 -2.0801524 6 O -3.6197909 0.1429099 -0.1158042 -3.8026947 0.6092695 0.0002854 0.0190527 -0.1544874 -2.0801524 7 O -3.6197909 -0.1429099 -0.1158042 3.8026947 0.6092695 -0.0002854 0.0190527 0.1544874 -2.0801524 8 O -3.6197909 0.1429099 -0.1158042 -3.8026947 0.6092695 0.0002854 0.0190527 -0.1544874 -2.0801524 9 O -2.4306706 1.1673860 -1.0756816 -0.1630010 -5.4169531 -6.6726452 -0.6228266 -0.8707624 -2.8020357 10 O -2.4306706 -1.1673860 -1.0756816 0.1630010 -5.4169531 6.6726452 -0.6228266 0.8707624 -2.8020357 11 O -2.4306706 1.1673860 -1.0756816 -0.1630010 -5.4169531 -6.6726452 -0.6228266 -0.8707624 -2.8020357 12 O -2.4306706 -1.1673860 -1.0756816 0.1630010 -5.4169531 6.6726452 -0.6228266 0.8707624 -2.8020357 13 Na 1.1602863 -0.0927971 0.2739148 -0.7302057 2.5160110 -0.1437337 0.1444049 0.3114730 1.1745398 14 Na 1.1602863 0.0927971 0.2739148 0.7302057 2.5160110 0.1437337 0.1444049 -0.3114730 1.1745398 15 Ru 2.1952360 6.3338004 -0.3442390 11.6161306 5.4048647 12.1887806 2.0223495 3.0043047 4.7398677 16 Ru 2.1952360 -6.3338004 -0.3442390 -11.6161306 5.4048647 -12.1887806 2.0223495 -3.0043047 4.7398677 17 La 5.1827955 -1.4226660 2.8172391 -1.7171346 9.0475757 5.2313419 0.9667316 -0.3655717 2.8079203 18 La 5.1827955 1.4226660 2.8172391 1.7171346 9.0475757 -5.2313419 0.9667316 0.3655717 2.8079203 19 La 5.1827955 -1.4226660 2.8172391 -1.7171346 9.0475757 5.2313419 0.9667316 -0.3655717 2.8079203 20 La 5.1827955 1.4226660 2.8172391 1.7171346 9.0475757 -5.2313419 0.9667316 0.3655717 2.8079203 ---------------------------------------------------------------------------- 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 392), data: True |-- (404, 393), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.290 Solver_block: 200 / 640 - Time: 2.205 Solver_block: 300 / 640 - Time: 2.227 Solver_block: 400 / 640 - Time: 2.309 Solver_block: 500 / 640 - Time: 2.286 Solver_block: 600 / 640 - Time: 2.297 Solver_block: 640 / 640 - Time: 0.997 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.705 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 392), data: True |-- (404, 393), 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 2026-01-07 21:36:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:36:01]------------------------- 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 5.510876840000212 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935989980000000 0.000000000000000 c -5.426471566963066 0.000000000000000 7.949216023433975 Atomic positions (fractional): 1 O 0.27543456636788 0.28021914513527 0.43867587891847 15.999 2 O 0.72456543363212 0.78021914513527 0.06132412108153 15.999 3 O 0.72456543363212 0.71978085486473 0.56132412108153 15.999 4 O 0.27543456636788 0.21978085486473 0.93867587891847 15.999 5 O 0.37510351125712 0.95798457173981 0.26767894775526 15.999 6 O 0.62489648874288 0.45798457173981 0.23232105224474 15.999 7 O 0.62489648874288 0.04201542826019 0.73232105224474 15.999 8 O 0.37510351125712 0.54201542826019 0.76767894775526 15.999 9 O 0.15868821843438 0.67276910083324 0.95094739545006 15.999 10 O 0.84131178156562 0.17276910083324 0.54905260454994 15.999 11 O 0.84131178156562 0.32723089916676 0.04905260454994 15.999 12 O 0.15868821843438 0.82723089916676 0.45094739545006 15.999 13 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 14 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 15 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 16 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 17 La 0.22989623737270 0.57050813361588 0.24759292830726 138.905 18 La 0.77010376262730 0.07050813361588 0.25240707169274 138.905 19 La 0.77010376262730 0.42949186638412 0.75240707169274 138.905 20 La 0.22989623737270 0.92949186638412 0.74759292830726 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.021753680000424 0.000000000000000 0.000000000000000 b 0.000000000000000 11.871979960000001 0.000000000000000 c -5.426471566963066 0.000000000000000 7.949216023433975 Atomic positions (fractional): 1 O 0.13771728318394 0.14010957256764 0.43867587891847 15.999 > 1 2 O 0.63771728318394 0.14010957256764 0.43867587891847 15.999 > 1 3 O 0.13771728318394 0.64010957256764 0.43867587891847 15.999 > 1 4 O 0.63771728318394 0.64010957256764 0.43867587891847 15.999 > 1 5 O 0.36228271681606 0.39010957256764 0.06132412108153 15.999 > 5 6 O 0.86228271681606 0.39010957256764 0.06132412108153 15.999 > 5 7 O 0.36228271681606 0.89010957256764 0.06132412108153 15.999 > 5 8 O 0.86228271681606 0.89010957256764 0.06132412108153 15.999 > 5 9 O 0.36228271681606 0.35989042743236 0.56132412108153 15.999 > 9 10 O 0.86228271681606 0.35989042743236 0.56132412108153 15.999 > 9 11 O 0.36228271681606 0.85989042743236 0.56132412108153 15.999 > 9 12 O 0.86228271681606 0.85989042743236 0.56132412108153 15.999 > 9 13 O 0.13771728318394 0.10989042743236 0.93867587891847 15.999 > 13 14 O 0.63771728318394 0.10989042743236 0.93867587891847 15.999 > 13 15 O 0.13771728318394 0.60989042743236 0.93867587891847 15.999 > 13 16 O 0.63771728318394 0.60989042743236 0.93867587891847 15.999 > 13 17 O 0.18755175562856 0.47899228586990 0.26767894775526 15.999 > 17 18 O 0.68755175562856 0.47899228586990 0.26767894775526 15.999 > 17 19 O 0.18755175562856 0.97899228586990 0.26767894775526 15.999 > 17 20 O 0.68755175562856 0.97899228586990 0.26767894775526 15.999 > 17 21 O 0.31244824437144 0.22899228586990 0.23232105224474 15.999 > 21 22 O 0.81244824437144 0.22899228586990 0.23232105224474 15.999 > 21 23 O 0.31244824437144 0.72899228586990 0.23232105224474 15.999 > 21 24 O 0.81244824437144 0.72899228586990 0.23232105224474 15.999 > 21 25 O 0.31244824437144 0.02100771413010 0.73232105224474 15.999 > 25 26 O 0.81244824437144 0.02100771413010 0.73232105224474 15.999 > 25 27 O 0.31244824437144 0.52100771413010 0.73232105224474 15.999 > 25 28 O 0.81244824437144 0.52100771413010 0.73232105224474 15.999 > 25 29 O 0.18755175562856 0.27100771413010 0.76767894775526 15.999 > 29 30 O 0.68755175562856 0.27100771413010 0.76767894775526 15.999 > 29 31 O 0.18755175562856 0.77100771413010 0.76767894775526 15.999 > 29 32 O 0.68755175562856 0.77100771413010 0.76767894775526 15.999 > 29 33 O 0.07934410921719 0.33638455041662 0.95094739545006 15.999 > 33 34 O 0.57934410921719 0.33638455041662 0.95094739545006 15.999 > 33 35 O 0.07934410921719 0.83638455041662 0.95094739545006 15.999 > 33 36 O 0.57934410921719 0.83638455041662 0.95094739545006 15.999 > 33 37 O 0.42065589078281 0.08638455041662 0.54905260454994 15.999 > 37 38 O 0.92065589078281 0.08638455041662 0.54905260454994 15.999 > 37 39 O 0.42065589078281 0.58638455041662 0.54905260454994 15.999 > 37 40 O 0.92065589078281 0.58638455041662 0.54905260454994 15.999 > 37 41 O 0.42065589078281 0.16361544958338 0.04905260454994 15.999 > 41 42 O 0.92065589078281 0.16361544958338 0.04905260454994 15.999 > 41 43 O 0.42065589078281 0.66361544958338 0.04905260454994 15.999 > 41 44 O 0.92065589078281 0.66361544958338 0.04905260454994 15.999 > 41 45 O 0.07934410921719 0.41361544958338 0.45094739545006 15.999 > 45 46 O 0.57934410921719 0.41361544958338 0.45094739545006 15.999 > 45 47 O 0.07934410921719 0.91361544958338 0.45094739545006 15.999 > 45 48 O 0.57934410921719 0.91361544958338 0.45094739545006 15.999 > 45 49 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 49 50 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 49 51 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 49 52 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 49 53 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 53 54 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 53 55 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 53 56 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 53 57 Ru 0.25000000000000 0.25000000000000 0.00000000000000 101.070 > 57 58 Ru 0.75000000000000 0.25000000000000 0.00000000000000 101.070 > 57 59 Ru 0.25000000000000 0.75000000000000 0.00000000000000 101.070 > 57 60 Ru 0.75000000000000 0.75000000000000 0.00000000000000 101.070 > 57 61 Ru 0.25000000000000 0.00000000000000 0.50000000000000 101.070 > 61 62 Ru 0.75000000000000 0.00000000000000 0.50000000000000 101.070 > 61 63 Ru 0.25000000000000 0.50000000000000 0.50000000000000 101.070 > 61 64 Ru 0.75000000000000 0.50000000000000 0.50000000000000 101.070 > 61 65 La 0.11494811868635 0.28525406680794 0.24759292830726 138.905 > 65 66 La 0.61494811868635 0.28525406680794 0.24759292830726 138.905 > 65 67 La 0.11494811868635 0.78525406680794 0.24759292830726 138.905 > 65 68 La 0.61494811868635 0.78525406680794 0.24759292830726 138.905 > 65 69 La 0.38505188131365 0.03525406680794 0.25240707169274 138.905 > 69 70 La 0.88505188131365 0.03525406680794 0.25240707169274 138.905 > 69 71 La 0.38505188131365 0.53525406680794 0.25240707169274 138.905 > 69 72 La 0.88505188131365 0.53525406680794 0.25240707169274 138.905 > 69 73 La 0.38505188131365 0.21474593319206 0.75240707169274 138.905 > 73 74 La 0.88505188131365 0.21474593319206 0.75240707169274 138.905 > 73 75 La 0.38505188131365 0.71474593319206 0.75240707169274 138.905 > 73 76 La 0.88505188131365 0.71474593319206 0.75240707169274 138.905 > 73 77 La 0.11494811868635 0.46474593319206 0.74759292830726 138.905 > 77 78 La 0.61494811868635 0.46474593319206 0.74759292830726 138.905 > 77 79 La 0.11494811868635 0.96474593319206 0.74759292830726 138.905 > 77 80 La 0.61494811868635 0.96474593319206 0.74759292830726 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 562.4992074 0.0000000 123.2780976 0.0000000 1760.8178164 0.0000000 123.2643124 0.0000000 233.7486747 -------------------------- Born effective charges -------------------------- 1 O -0.8100952 2.9853369 -1.5905911 2.2647046 -8.2003300 0.2194878 -1.4463349 1.0487871 -0.8829361 2 O -0.8100952 -2.9853369 -1.5905911 -2.2647046 -8.2003300 -0.2194878 -1.4463349 -1.0487871 -0.8829361 3 O -0.8100952 2.9853369 -1.5905911 2.2647046 -8.2003300 0.2194878 -1.4463349 1.0487871 -0.8829361 4 O -0.8100952 -2.9853369 -1.5905911 -2.2647046 -8.2003300 -0.2194878 -1.4463349 -1.0487871 -0.8829361 5 O -3.6197909 -0.1429099 -0.1158042 3.8026947 0.6092695 -0.0002854 0.0190527 0.1544874 -2.0801524 6 O -3.6197909 0.1429099 -0.1158042 -3.8026947 0.6092695 0.0002854 0.0190527 -0.1544874 -2.0801524 7 O -3.6197909 -0.1429099 -0.1158042 3.8026947 0.6092695 -0.0002854 0.0190527 0.1544874 -2.0801524 8 O -3.6197909 0.1429099 -0.1158042 -3.8026947 0.6092695 0.0002854 0.0190527 -0.1544874 -2.0801524 9 O -2.4306706 1.1673860 -1.0756816 -0.1630010 -5.4169531 -6.6726452 -0.6228266 -0.8707624 -2.8020357 10 O -2.4306706 -1.1673860 -1.0756816 0.1630010 -5.4169531 6.6726452 -0.6228266 0.8707624 -2.8020357 11 O -2.4306706 1.1673860 -1.0756816 -0.1630010 -5.4169531 -6.6726452 -0.6228266 -0.8707624 -2.8020357 12 O -2.4306706 -1.1673860 -1.0756816 0.1630010 -5.4169531 6.6726452 -0.6228266 0.8707624 -2.8020357 13 Na 1.1602863 -0.0927971 0.2739148 -0.7302057 2.5160110 -0.1437337 0.1444049 0.3114730 1.1745398 14 Na 1.1602863 0.0927971 0.2739148 0.7302057 2.5160110 0.1437337 0.1444049 -0.3114730 1.1745398 15 Ru 2.1952360 6.3338004 -0.3442390 11.6161306 5.4048647 12.1887806 2.0223495 3.0043047 4.7398677 16 Ru 2.1952360 -6.3338004 -0.3442390 -11.6161306 5.4048647 -12.1887806 2.0223495 -3.0043047 4.7398677 17 La 5.1827955 -1.4226660 2.8172391 -1.7171346 9.0475757 5.2313419 0.9667316 -0.3655717 2.8079203 18 La 5.1827955 1.4226660 2.8172391 1.7171346 9.0475757 -5.2313419 0.9667316 0.3655717 2.8079203 19 La 5.1827955 -1.4226660 2.8172391 -1.7171346 9.0475757 5.2313419 0.9667316 -0.3655717 2.8079203 20 La 5.1827955 1.4226660 2.8172391 1.7171346 9.0475757 -5.2313419 0.9667316 0.3655717 2.8079203 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000010 (yyy) -0.00000010 (yyy) -0.00000010 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000093 (xz) -0.00000093 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:36:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:36:18]------------------------- 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 5.510876840000212 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935989980000000 0.000000000000000 c -5.426471566963066 0.000000000000000 7.949216023433975 Atomic positions (fractional): 1 O 0.27543456636788 0.28021914513527 0.43867587891847 15.999 2 O 0.72456543363212 0.78021914513527 0.06132412108153 15.999 3 O 0.72456543363212 0.71978085486473 0.56132412108153 15.999 4 O 0.27543456636788 0.21978085486473 0.93867587891847 15.999 5 O 0.37510351125712 0.95798457173981 0.26767894775526 15.999 6 O 0.62489648874288 0.45798457173981 0.23232105224474 15.999 7 O 0.62489648874288 0.04201542826019 0.73232105224474 15.999 8 O 0.37510351125712 0.54201542826019 0.76767894775526 15.999 9 O 0.15868821843438 0.67276910083324 0.95094739545006 15.999 10 O 0.84131178156562 0.17276910083324 0.54905260454994 15.999 11 O 0.84131178156562 0.32723089916676 0.04905260454994 15.999 12 O 0.15868821843438 0.82723089916676 0.45094739545006 15.999 13 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 14 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 15 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 16 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 17 La 0.22989623737270 0.57050813361588 0.24759292830726 138.905 18 La 0.77010376262730 0.07050813361588 0.25240707169274 138.905 19 La 0.77010376262730 0.42949186638412 0.75240707169274 138.905 20 La 0.22989623737270 0.92949186638412 0.74759292830726 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.021753680000424 0.000000000000000 0.000000000000000 b 0.000000000000000 11.871979960000001 0.000000000000000 c -5.426471566963066 0.000000000000000 7.949216023433975 Atomic positions (fractional): 1 O 0.13771728318394 0.14010957256764 0.43867587891847 15.999 > 1 2 O 0.63771728318394 0.14010957256764 0.43867587891847 15.999 > 1 3 O 0.13771728318394 0.64010957256764 0.43867587891847 15.999 > 1 4 O 0.63771728318394 0.64010957256764 0.43867587891847 15.999 > 1 5 O 0.36228271681606 0.39010957256764 0.06132412108153 15.999 > 5 6 O 0.86228271681606 0.39010957256764 0.06132412108153 15.999 > 5 7 O 0.36228271681606 0.89010957256764 0.06132412108153 15.999 > 5 8 O 0.86228271681606 0.89010957256764 0.06132412108153 15.999 > 5 9 O 0.36228271681606 0.35989042743236 0.56132412108153 15.999 > 9 10 O 0.86228271681606 0.35989042743236 0.56132412108153 15.999 > 9 11 O 0.36228271681606 0.85989042743236 0.56132412108153 15.999 > 9 12 O 0.86228271681606 0.85989042743236 0.56132412108153 15.999 > 9 13 O 0.13771728318394 0.10989042743236 0.93867587891847 15.999 > 13 14 O 0.63771728318394 0.10989042743236 0.93867587891847 15.999 > 13 15 O 0.13771728318394 0.60989042743236 0.93867587891847 15.999 > 13 16 O 0.63771728318394 0.60989042743236 0.93867587891847 15.999 > 13 17 O 0.18755175562856 0.47899228586990 0.26767894775526 15.999 > 17 18 O 0.68755175562856 0.47899228586990 0.26767894775526 15.999 > 17 19 O 0.18755175562856 0.97899228586990 0.26767894775526 15.999 > 17 20 O 0.68755175562856 0.97899228586990 0.26767894775526 15.999 > 17 21 O 0.31244824437144 0.22899228586990 0.23232105224474 15.999 > 21 22 O 0.81244824437144 0.22899228586990 0.23232105224474 15.999 > 21 23 O 0.31244824437144 0.72899228586990 0.23232105224474 15.999 > 21 24 O 0.81244824437144 0.72899228586990 0.23232105224474 15.999 > 21 25 O 0.31244824437144 0.02100771413010 0.73232105224474 15.999 > 25 26 O 0.81244824437144 0.02100771413010 0.73232105224474 15.999 > 25 27 O 0.31244824437144 0.52100771413010 0.73232105224474 15.999 > 25 28 O 0.81244824437144 0.52100771413010 0.73232105224474 15.999 > 25 29 O 0.18755175562856 0.27100771413010 0.76767894775526 15.999 > 29 30 O 0.68755175562856 0.27100771413010 0.76767894775526 15.999 > 29 31 O 0.18755175562856 0.77100771413010 0.76767894775526 15.999 > 29 32 O 0.68755175562856 0.77100771413010 0.76767894775526 15.999 > 29 33 O 0.07934410921719 0.33638455041662 0.95094739545006 15.999 > 33 34 O 0.57934410921719 0.33638455041662 0.95094739545006 15.999 > 33 35 O 0.07934410921719 0.83638455041662 0.95094739545006 15.999 > 33 36 O 0.57934410921719 0.83638455041662 0.95094739545006 15.999 > 33 37 O 0.42065589078281 0.08638455041662 0.54905260454994 15.999 > 37 38 O 0.92065589078281 0.08638455041662 0.54905260454994 15.999 > 37 39 O 0.42065589078281 0.58638455041662 0.54905260454994 15.999 > 37 40 O 0.92065589078281 0.58638455041662 0.54905260454994 15.999 > 37 41 O 0.42065589078281 0.16361544958338 0.04905260454994 15.999 > 41 42 O 0.92065589078281 0.16361544958338 0.04905260454994 15.999 > 41 43 O 0.42065589078281 0.66361544958338 0.04905260454994 15.999 > 41 44 O 0.92065589078281 0.66361544958338 0.04905260454994 15.999 > 41 45 O 0.07934410921719 0.41361544958338 0.45094739545006 15.999 > 45 46 O 0.57934410921719 0.41361544958338 0.45094739545006 15.999 > 45 47 O 0.07934410921719 0.91361544958338 0.45094739545006 15.999 > 45 48 O 0.57934410921719 0.91361544958338 0.45094739545006 15.999 > 45 49 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 49 50 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 49 51 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 49 52 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 49 53 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 53 54 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 53 55 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 53 56 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 53 57 Ru 0.25000000000000 0.25000000000000 0.00000000000000 101.070 > 57 58 Ru 0.75000000000000 0.25000000000000 0.00000000000000 101.070 > 57 59 Ru 0.25000000000000 0.75000000000000 0.00000000000000 101.070 > 57 60 Ru 0.75000000000000 0.75000000000000 0.00000000000000 101.070 > 57 61 Ru 0.25000000000000 0.00000000000000 0.50000000000000 101.070 > 61 62 Ru 0.75000000000000 0.00000000000000 0.50000000000000 101.070 > 61 63 Ru 0.25000000000000 0.50000000000000 0.50000000000000 101.070 > 61 64 Ru 0.75000000000000 0.50000000000000 0.50000000000000 101.070 > 61 65 La 0.11494811868635 0.28525406680794 0.24759292830726 138.905 > 65 66 La 0.61494811868635 0.28525406680794 0.24759292830726 138.905 > 65 67 La 0.11494811868635 0.78525406680794 0.24759292830726 138.905 > 65 68 La 0.61494811868635 0.78525406680794 0.24759292830726 138.905 > 65 69 La 0.38505188131365 0.03525406680794 0.25240707169274 138.905 > 69 70 La 0.88505188131365 0.03525406680794 0.25240707169274 138.905 > 69 71 La 0.38505188131365 0.53525406680794 0.25240707169274 138.905 > 69 72 La 0.88505188131365 0.53525406680794 0.25240707169274 138.905 > 69 73 La 0.38505188131365 0.21474593319206 0.75240707169274 138.905 > 73 74 La 0.88505188131365 0.21474593319206 0.75240707169274 138.905 > 73 75 La 0.38505188131365 0.71474593319206 0.75240707169274 138.905 > 73 76 La 0.88505188131365 0.71474593319206 0.75240707169274 138.905 > 73 77 La 0.11494811868635 0.46474593319206 0.74759292830726 138.905 > 77 78 La 0.61494811868635 0.46474593319206 0.74759292830726 138.905 > 77 79 La 0.11494811868635 0.96474593319206 0.74759292830726 138.905 > 77 80 La 0.61494811868635 0.96474593319206 0.74759292830726 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 562.4992074 0.0000000 123.2780976 0.0000000 1760.8178164 0.0000000 123.2643124 0.0000000 233.7486747 -------------------------- Born effective charges -------------------------- 1 O -0.8100952 2.9853369 -1.5905911 2.2647046 -8.2003300 0.2194878 -1.4463349 1.0487871 -0.8829361 2 O -0.8100952 -2.9853369 -1.5905911 -2.2647046 -8.2003300 -0.2194878 -1.4463349 -1.0487871 -0.8829361 3 O -0.8100952 2.9853369 -1.5905911 2.2647046 -8.2003300 0.2194878 -1.4463349 1.0487871 -0.8829361 4 O -0.8100952 -2.9853369 -1.5905911 -2.2647046 -8.2003300 -0.2194878 -1.4463349 -1.0487871 -0.8829361 5 O -3.6197909 -0.1429099 -0.1158042 3.8026947 0.6092695 -0.0002854 0.0190527 0.1544874 -2.0801524 6 O -3.6197909 0.1429099 -0.1158042 -3.8026947 0.6092695 0.0002854 0.0190527 -0.1544874 -2.0801524 7 O -3.6197909 -0.1429099 -0.1158042 3.8026947 0.6092695 -0.0002854 0.0190527 0.1544874 -2.0801524 8 O -3.6197909 0.1429099 -0.1158042 -3.8026947 0.6092695 0.0002854 0.0190527 -0.1544874 -2.0801524 9 O -2.4306706 1.1673860 -1.0756816 -0.1630010 -5.4169531 -6.6726452 -0.6228266 -0.8707624 -2.8020357 10 O -2.4306706 -1.1673860 -1.0756816 0.1630010 -5.4169531 6.6726452 -0.6228266 0.8707624 -2.8020357 11 O -2.4306706 1.1673860 -1.0756816 -0.1630010 -5.4169531 -6.6726452 -0.6228266 -0.8707624 -2.8020357 12 O -2.4306706 -1.1673860 -1.0756816 0.1630010 -5.4169531 6.6726452 -0.6228266 0.8707624 -2.8020357 13 Na 1.1602863 -0.0927971 0.2739148 -0.7302057 2.5160110 -0.1437337 0.1444049 0.3114730 1.1745398 14 Na 1.1602863 0.0927971 0.2739148 0.7302057 2.5160110 0.1437337 0.1444049 -0.3114730 1.1745398 15 Ru 2.1952360 6.3338004 -0.3442390 11.6161306 5.4048647 12.1887806 2.0223495 3.0043047 4.7398677 16 Ru 2.1952360 -6.3338004 -0.3442390 -11.6161306 5.4048647 -12.1887806 2.0223495 -3.0043047 4.7398677 17 La 5.1827955 -1.4226660 2.8172391 -1.7171346 9.0475757 5.2313419 0.9667316 -0.3655717 2.8079203 18 La 5.1827955 1.4226660 2.8172391 1.7171346 9.0475757 -5.2313419 0.9667316 0.3655717 2.8079203 19 La 5.1827955 -1.4226660 2.8172391 -1.7171346 9.0475757 5.2313419 0.9667316 -0.3655717 2.8079203 20 La 5.1827955 1.4226660 2.8172391 1.7171346 9.0475757 -5.2313419 0.9667316 0.3655717 2.8079203 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000010 (yyy) -0.00000010 (yyy) -0.00000010 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 8 6 ] 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: 0.65, Number of G-points: 299, Lambda: 1.98 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 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 2.175 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.330 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.550 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 14.516 ( 0.000 0.000 0.000) 0.000 15.242 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 15.955 ( 0.000 0.000 0.000) 0.000 16.440 ( 0.000 0.000 0.000) 0.000 16.689 ( 0.000 0.000 0.000) 0.000 16.736 ( 0.000 0.000 0.000) 0.000 16.789 ( 0.000 0.000 0.000) 0.000 17.826 ( 0.000 0.000 0.000) 0.000 19.634 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 21.581 0.000 14.697) 26.110 0.528 ( 28.286 0.000 4.771) 28.685 0.995 ( 35.516 0.000 32.418) 48.087 2.290 ( 6.734 0.000 8.449) 10.804 2.608 ( -9.349 0.000 -0.947) 9.397 2.734 ( 0.816 0.000 -6.054) 6.109 2.806 ( 0.367 0.000 -0.792) 0.873 3.142 ( -3.957 0.000 -2.738) 4.812 3.266 ( -3.087 0.000 -1.793) 3.570 3.364 ( -7.667 0.000 0.893) 7.719 3.520 ( -4.882 0.000 -2.488) 5.479 4.053 ( 2.595 0.000 1.920) 3.228 4.211 ( -3.374 0.000 -7.995) 8.678 4.399 ( 6.323 0.000 -0.025) 6.323 4.579 ( -0.211 0.000 3.202) 3.209 4.591 ( -1.476 0.000 11.540) 11.634 4.625 ( 1.976 0.000 -0.154) 1.982 5.215 ( 1.432 0.000 -0.584) 1.546 5.425 ( -8.889 0.000 -0.367) 8.897 5.832 ( -6.702 0.000 -0.508) 6.721 6.484 ( 0.842 0.000 -3.015) 3.130 6.747 ( -4.392 0.000 -1.125) 4.534 6.893 ( -2.946 0.000 -0.483) 2.986 7.173 ( -3.399 0.000 -8.723) 9.362 7.224 ( -8.009 0.000 -3.310) 8.666 7.540 ( -4.686 0.000 0.710) 4.740 7.662 ( 8.260 0.000 1.874) 8.470 7.909 ( 15.059 0.000 -9.783) 17.957 7.923 ( 3.888 0.000 4.841) 6.209 8.416 ( 3.724 0.000 -0.453) 3.751 8.624 ( 0.109 0.000 19.458) 19.459 8.725 ( 0.542 0.000 4.713) 4.744 9.099 ( 0.774 0.000 2.770) 2.876 9.526 ( -6.324 0.000 -4.387) 7.696 9.593 ( -0.787 0.000 -0.752) 1.088 9.962 ( -2.219 0.000 -3.012) 3.741 9.986 ( 4.772 0.000 4.428) 6.510 10.137 ( -5.416 0.000 -8.236) 9.857 10.349 ( 3.446 0.000 -3.724) 5.073 10.599 ( -0.971 0.000 -2.773) 2.938 10.950 ( -1.105 0.000 2.381) 2.625 11.247 ( 3.916 0.000 7.572) 8.525 11.608 ( 1.533 0.000 6.855) 7.025 11.694 ( -9.982 0.000 -5.409) 11.353 11.945 ( -1.439 0.000 0.802) 1.648 12.653 ( -4.197 0.000 -1.609) 4.495 12.807 ( 4.761 0.000 -5.223) 7.068 13.282 ( -9.994 0.000 9.144) 13.547 13.640 ( 18.104 0.000 -10.399) 20.878 14.611 ( 5.197 0.000 7.710) 9.298 15.187 ( -5.716 0.000 -0.339) 5.726 15.669 ( 2.445 0.000 3.285) 4.095 15.789 ( 0.745 0.000 -5.730) 5.778 15.970 ( -0.923 0.000 3.642) 3.758 16.424 ( -1.140 0.000 -1.510) 1.892 16.442 ( -8.375 0.000 -11.311) 14.074 16.791 ( 0.012 0.000 0.202) 0.202 16.967 ( 19.199 0.000 -7.633) 20.661 17.894 ( -3.304 0.000 16.537) 16.864 19.580 ( -4.103 0.000 -3.305) 5.269 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 26.195 0.000 3.335) 26.406 1.041 ( 20.897 0.000 14.452) 25.408 1.838 ( 26.267 0.000 22.075) 34.312 2.385 ( -14.829 0.000 -1.862) 14.946 2.500 ( 4.315 0.000 7.669) 8.800 2.641 ( -0.962 0.000 -10.339) 10.384 2.818 ( 0.125 0.000 3.453) 3.455 3.014 ( -5.676 0.000 -4.787) 7.425 3.118 ( -10.857 0.000 -6.206) 12.505 3.215 ( -7.130 0.000 1.065) 7.209 3.445 ( -3.561 0.000 1.022) 3.705 4.032 ( -6.316 0.000 -9.507) 11.414 4.137 ( 4.533 0.000 2.419) 5.138 4.520 ( 9.802 0.000 -3.016) 10.256 4.547 ( -5.191 0.000 3.549) 6.288 4.708 ( -3.627 0.000 15.582) 15.999 4.741 ( 6.650 0.000 4.484) 8.021 5.216 ( -4.343 0.000 -0.523) 4.375 5.282 ( -3.244 0.000 1.092) 3.423 5.684 ( -10.119 0.000 -0.000) 10.119 6.433 ( -0.565 0.000 -7.167) 7.189 6.635 ( -4.415 0.000 -4.096) 6.022 6.841 ( -1.509 0.000 -1.427) 2.077 7.075 ( 0.408 0.000 -4.362) 4.381 7.125 ( -4.832 0.000 5.143) 7.057 7.448 ( -5.693 0.000 -2.033) 6.045 7.733 ( 1.402 0.000 -0.893) 1.663 8.019 ( 10.019 0.000 -7.321) 12.409 8.095 ( 7.703 0.000 4.992) 9.178 8.470 ( 6.116 0.000 -5.344) 8.122 8.763 ( -4.219 0.000 5.708) 7.098 8.826 ( -3.468 0.000 16.809) 17.163 9.173 ( 2.568 0.000 5.521) 6.089 9.413 ( -0.980 0.000 -2.731) 2.901 9.557 ( -3.701 0.000 -0.769) 3.780 9.785 ( -8.170 0.000 -16.665) 18.560 10.037 ( 1.735 0.000 5.042) 5.332 10.102 ( 3.023 0.000 3.899) 4.934 10.361 ( 5.833 0.000 -6.917) 9.048 10.559 ( 1.164 0.000 -2.902) 3.126 11.030 ( 0.663 0.000 8.559) 8.584 11.414 ( 7.725 0.000 6.544) 10.124 11.425 ( -11.674 0.000 -9.727) 15.195 11.725 ( 0.720 0.000 9.995) 10.021 11.880 ( -7.390 0.000 1.054) 7.465 12.555 ( -3.273 0.000 -4.527) 5.586 12.801 ( 3.263 0.000 -7.627) 8.296 13.253 ( -6.536 0.000 9.504) 11.534 13.850 ( 20.131 0.000 -8.220) 21.745 14.808 ( 6.362 0.000 7.886) 10.132 15.072 ( -6.457 0.000 -1.314) 6.590 15.715 ( 0.464 0.000 -8.864) 8.877 15.763 ( 2.142 0.000 4.465) 4.952 15.992 ( -3.926 0.000 6.331) 7.449 16.193 ( -3.126 0.000 -15.132) 15.451 16.382 ( -1.690 0.000 -1.214) 2.081 16.821 ( 3.340 0.000 1.837) 3.812 17.160 ( 18.095 0.000 -13.320) 22.469 18.074 ( -3.110 0.000 23.706) 23.909 19.432 ( -7.242 0.000 -5.982) 9.393 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 18.911 0.000 -0.936) 18.934 1.535 ( 19.435 0.000 13.557) 23.697 2.110 ( -15.217 0.000 -0.976) 15.248 2.155 ( -0.213 0.000 -8.661) 8.664 2.565 ( -0.461 0.000 0.991) 1.093 2.575 ( 4.303 0.000 -0.303) 4.314 2.804 ( -8.985 0.000 0.935) 9.034 2.901 ( -7.831 0.000 -3.146) 8.440 2.937 ( 0.463 0.000 1.833) 1.890 3.115 ( -6.663 0.000 0.030) 6.663 3.420 ( -2.443 0.000 3.681) 4.418 3.785 ( -9.767 0.000 -10.823) 14.579 4.264 ( 8.548 0.000 1.889) 8.754 4.577 ( -0.457 0.000 13.349) 13.357 4.637 ( 6.047 0.000 -1.149) 6.155 4.801 ( -2.212 0.000 11.038) 11.257 4.913 ( 7.052 0.000 5.115) 8.712 5.122 ( -4.603 0.000 0.771) 4.667 5.329 ( 3.911 0.000 2.290) 4.532 5.515 ( -10.440 0.000 0.366) 10.447 6.316 ( -2.105 0.000 -8.468) 8.726 6.538 ( -2.640 0.000 -2.612) 3.714 6.814 ( 0.837 0.000 -2.220) 2.373 7.058 ( -0.809 0.000 -0.574) 0.993 7.140 ( -6.042 0.000 9.318) 11.105 7.330 ( -1.882 0.000 -4.465) 4.846 7.748 ( 1.930 0.000 0.903) 2.131 8.081 ( 5.113 0.000 -3.411) 6.146 8.232 ( 3.438 0.000 2.083) 4.020 8.473 ( 3.737 0.000 -9.211) 9.940 8.717 ( -7.899 0.000 5.385) 9.560 8.833 ( -11.273 0.000 4.866) 12.278 9.289 ( 4.170 0.000 3.278) 5.304 9.319 ( -11.747 0.000 -13.187) 17.661 9.442 ( 4.834 0.000 1.681) 5.118 9.634 ( 2.555 0.000 -1.791) 3.121 10.165 ( 1.136 0.000 1.755) 2.090 10.184 ( 2.799 0.000 10.263) 10.638 10.400 ( 9.386 0.000 -8.287) 12.521 10.605 ( 5.244 0.000 1.759) 5.531 11.098 ( -2.271 0.000 5.187) 5.662 11.112 ( -9.689 0.000 -13.403) 16.538 11.636 ( 6.116 0.000 7.645) 9.791 11.746 ( -10.186 0.000 1.952) 10.372 11.890 ( 6.681 0.000 12.524) 14.195 12.445 ( -3.254 0.000 -5.445) 6.344 12.741 ( 1.187 0.000 -9.575) 9.648 13.262 ( -4.561 0.000 7.555) 8.825 14.124 ( 20.667 0.000 -2.947) 20.876 14.958 ( -5.486 0.000 -0.997) 5.576 14.966 ( 4.336 0.000 4.396) 6.174 15.614 ( 1.128 0.000 -10.715) 10.775 15.778 ( -4.848 0.000 0.666) 4.893 15.929 ( -7.041 0.000 -2.494) 7.470 16.058 ( 1.164 0.000 -4.417) 4.567 16.347 ( -1.563 0.000 -0.684) 1.706 16.979 ( 10.230 0.000 6.625) 12.188 17.263 ( 11.877 0.000 -11.847) 16.775 18.299 ( -0.737 0.000 20.677) 20.690 19.221 ( -8.595 0.000 -7.395) 11.339 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 1.860 0.000 -10.351) 10.517 1.810 ( -8.838 0.000 3.619) 9.551 2.026 ( 3.343 0.000 -10.728) 11.237 2.061 ( 15.741 0.000 8.064) 17.687 2.570 ( 0.943 0.000 -0.269) 0.981 2.592 ( -3.879 0.000 1.543) 4.175 2.658 ( -7.451 0.000 0.723) 7.486 2.761 ( -4.952 0.000 -2.710) 5.645 2.925 ( -5.502 0.000 2.023) 5.862 2.997 ( -5.613 0.000 -2.172) 6.018 3.443 ( -0.580 0.000 4.223) 4.263 3.472 ( -12.433 0.000 -11.882) 17.198 4.463 ( 10.921 0.000 3.495) 11.467 4.680 ( -0.404 0.000 2.973) 3.000 4.830 ( 7.525 0.000 17.303) 18.868 4.907 ( 0.163 0.000 6.301) 6.303 5.067 ( 0.492 0.000 -2.866) 2.908 5.071 ( 5.052 0.000 4.437) 6.724 5.352 ( -9.276 0.000 -0.110) 9.277 5.440 ( 5.419 0.000 2.830) 6.113 6.192 ( -2.228 0.000 -6.667) 7.030 6.481 ( -2.289 0.000 -0.604) 2.368 6.820 ( 1.032 0.000 -0.162) 1.044 7.003 ( -4.120 0.000 -1.060) 4.254 7.052 ( -9.110 0.000 0.367) 9.117 7.363 ( 5.109 0.000 2.446) 5.665 7.844 ( 6.391 0.000 3.351) 7.216 8.118 ( 2.266 0.000 -0.460) 2.312 8.258 ( -1.091 0.000 -0.257) 1.121 8.394 ( 1.030 0.000 -10.845) 10.893 8.587 ( -16.799 0.000 -2.794) 17.030 8.651 ( -6.869 0.000 5.127) 8.571 9.057 ( -4.667 0.000 -8.979) 10.120 9.351 ( 2.909 0.000 -1.992) 3.525 9.589 ( 6.912 0.000 4.807) 8.419 9.696 ( 3.114 0.000 1.938) 3.668 10.204 ( 0.950 0.000 3.035) 3.180 10.324 ( 0.354 0.000 10.129) 10.136 10.467 ( 9.249 0.000 -8.484) 12.551 10.681 ( -3.304 0.000 -2.678) 4.253 10.886 ( 3.164 0.000 -6.726) 7.433 11.088 ( -2.703 0.000 1.397) 3.043 11.613 ( -8.301 0.000 2.522) 8.676 11.738 ( -0.746 0.000 5.006) 5.062 12.226 ( 12.939 0.000 13.104) 18.415 12.327 ( -4.022 0.000 -4.741) 6.217 12.637 ( -0.204 0.000 -9.349) 9.351 13.257 ( -4.158 0.000 3.887) 5.692 14.449 ( 19.197 0.000 0.937) 19.220 14.876 ( -4.000 0.000 0.483) 4.029 15.061 ( 2.818 0.000 2.720) 3.916 15.526 ( 1.912 0.000 -8.691) 8.899 15.629 ( -10.571 0.000 -3.130) 11.025 15.782 ( -3.167 0.000 -7.295) 7.953 16.054 ( -1.143 0.000 2.116) 2.405 16.308 ( -1.887 0.000 -0.928) 2.103 17.261 ( 11.583 0.000 8.217) 14.202 17.298 ( 5.811 0.000 -7.303) 9.333 18.492 ( 0.540 0.000 13.108) 13.119 19.003 ( -7.501 0.000 -6.768) 10.103 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 3.584 0.000 -5.142) 6.268 1.697 ( -4.659 0.000 0.945) 4.753 1.908 ( -5.259 0.000 -5.691) 7.749 2.426 ( 14.169 0.000 6.016) 15.393 2.530 ( -1.796 0.000 -1.726) 2.491 2.590 ( 1.832 0.000 2.164) 2.836 2.637 ( -2.966 0.000 0.924) 3.107 2.683 ( -2.993 0.000 -0.695) 3.073 2.874 ( -0.335 0.000 6.683) 6.692 2.898 ( -2.576 0.000 -2.186) 3.379 3.125 ( -12.082 0.000 -12.152) 17.136 3.478 ( 0.087 0.000 1.855) 1.857 4.660 ( 6.935 0.000 2.372) 7.330 4.724 ( 1.067 0.000 3.447) 3.609 4.872 ( -3.686 0.000 -2.088) 4.236 5.073 ( 1.980 0.000 5.948) 6.269 5.109 ( 2.605 0.000 0.829) 2.734 5.141 ( -0.803 0.000 0.332) 0.869 5.265 ( -0.426 0.000 2.828) 2.860 5.545 ( 3.293 0.000 1.340) 3.555 6.104 ( -1.373 0.000 -2.862) 3.175 6.446 ( -1.291 0.000 -0.159) 1.301 6.818 ( -1.094 0.000 0.069) 1.096 6.929 ( -3.754 0.000 -1.158) 3.929 6.949 ( -0.868 0.000 -0.301) 0.919 7.471 ( 3.235 0.000 1.814) 3.709 7.993 ( 5.426 0.000 3.028) 6.214 8.152 ( 0.903 0.000 1.651) 1.882 8.206 ( -2.844 0.000 -1.758) 3.343 8.291 ( 0.555 0.000 -7.879) 7.898 8.333 ( -8.934 0.000 -0.561) 8.951 8.611 ( -2.999 0.000 2.404) 3.844 8.940 ( -1.407 0.000 -3.115) 3.418 9.363 ( 1.340 0.000 -1.539) 2.040 9.722 ( 3.239 0.000 2.155) 3.890 9.750 ( 1.152 0.000 0.917) 1.472 10.277 ( 1.464 0.000 5.866) 6.045 10.428 ( -1.360 0.000 9.512) 9.608 10.490 ( 5.118 0.000 -8.846) 10.220 10.492 ( -4.723 0.000 -8.984) 10.150 10.978 ( 4.268 0.000 1.398) 4.491 11.060 ( -1.215 0.000 0.099) 1.219 11.540 ( -3.063 0.000 1.319) 3.335 11.760 ( -0.690 0.000 1.772) 1.902 12.225 ( -2.436 0.000 -2.286) 3.341 12.513 ( 6.394 0.000 5.965) 8.744 12.551 ( -0.228 0.000 -4.052) 4.058 13.220 ( -2.523 0.000 0.578) 2.588 14.723 ( 9.967 0.000 0.976) 10.015 14.837 ( -1.532 0.000 0.598) 1.645 15.150 ( 4.535 0.000 3.652) 5.822 15.396 ( -10.635 0.000 -4.493) 11.545 15.490 ( 1.404 0.000 -2.912) 3.233 15.676 ( -1.370 0.000 -3.826) 4.064 16.059 ( -0.659 0.000 1.298) 1.456 16.275 ( -0.882 0.000 -0.454) 0.992 17.302 ( 1.648 0.000 -2.404) 2.915 17.479 ( 5.031 0.000 3.759) 6.280 18.600 ( 0.354 0.000 4.426) 4.440 18.851 ( -3.225 0.000 -3.009) 4.411 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 26.265 0.000) 26.265 0.675 ( 0.000 31.188 0.000) 31.188 1.003 ( 0.000 45.315 0.000) 45.315 2.191 ( 0.000 0.522 0.000) 0.522 2.703 ( 0.000 0.632 0.000) 0.632 2.706 ( 0.000 -3.515 0.000) 3.515 2.843 ( 0.000 0.972 0.000) 0.972 3.062 ( 0.000 -7.132 0.000) 7.132 3.336 ( 0.000 0.550 0.000) 0.550 3.388 ( 0.000 -2.198 0.000) 2.198 3.554 ( 0.000 -3.542 0.000) 3.542 4.008 ( 0.000 -2.722 0.000) 2.722 4.247 ( 0.000 -4.005 0.000) 4.005 4.368 ( 0.000 1.268 0.000) 1.268 4.555 ( 0.000 2.252 0.000) 2.252 4.572 ( 0.000 0.611 0.000) 0.611 4.658 ( 0.000 10.205 0.000) 10.205 5.205 ( 0.000 -3.679 0.000) 3.679 5.512 ( 0.000 0.269 0.000) 0.269 5.834 ( 0.000 -5.481 0.000) 5.481 6.397 ( 0.000 -7.811 0.000) 7.811 6.563 ( 0.000 -13.390 0.000) 13.390 7.051 ( 0.000 4.535 0.000) 4.535 7.321 ( 0.000 -6.896 0.000) 6.896 7.342 ( 0.000 0.838 0.000) 0.838 7.411 ( 0.000 0.201 0.000) 0.201 7.657 ( 0.000 1.667 0.000) 1.667 7.781 ( 0.000 -1.227 0.000) 1.227 7.843 ( 0.000 -3.029 0.000) 3.029 8.319 ( 0.000 -5.386 0.000) 5.386 8.498 ( 0.000 0.047 0.000) 0.047 8.715 ( 0.000 1.509 0.000) 1.509 9.092 ( 0.000 1.417 0.000) 1.417 9.627 ( 0.000 -0.599 0.000) 0.599 9.683 ( 0.000 5.141 0.000) 5.141 9.794 ( 0.000 -6.619 0.000) 6.619 10.082 ( 0.000 5.992 0.000) 5.992 10.268 ( 0.000 2.150 0.000) 2.150 10.354 ( 0.000 3.150 0.000) 3.150 10.721 ( 0.000 4.611 0.000) 4.611 11.018 ( 0.000 1.832 0.000) 1.832 11.059 ( 0.000 -0.233 0.000) 0.233 11.505 ( 0.000 -3.998 0.000) 3.998 11.793 ( 0.000 -4.248 0.000) 4.248 11.987 ( 0.000 4.721 0.000) 4.721 12.758 ( 0.000 3.075 0.000) 3.075 12.808 ( 0.000 2.162 0.000) 2.162 13.415 ( 0.000 7.029 0.000) 7.029 13.425 ( 0.000 -8.274 0.000) 8.274 14.548 ( 0.000 3.029 0.000) 3.029 15.088 ( 0.000 -8.963 0.000) 8.963 15.549 ( 0.000 -6.182 0.000) 6.182 15.863 ( 0.000 -0.139 0.000) 0.139 16.026 ( 0.000 1.583 0.000) 1.583 16.413 ( 0.000 -0.954 0.000) 0.954 16.675 ( 0.000 -1.381 0.000) 1.381 16.725 ( 0.000 3.421 0.000) 3.421 17.090 ( 0.000 22.645 0.000) 22.645 17.777 ( 0.000 -6.144 0.000) 6.144 19.572 ( 0.000 -5.842 0.000) 5.842 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 15.833 22.433 5.421) 27.988 0.914 ( 14.843 23.313 11.239) 29.835 1.301 ( 23.225 27.869 19.064) 40.982 2.299 ( 6.549 0.174 7.539) 9.988 2.609 ( -4.673 -1.005 -7.214) 8.653 2.686 ( -4.262 -1.460 0.797) 4.575 2.839 ( 0.475 0.762 -1.337) 1.610 3.048 ( -1.922 -5.947 -0.015) 6.250 3.287 ( -3.555 0.469 -2.842) 4.575 3.347 ( -7.108 -1.687 0.302) 7.311 3.476 ( -4.898 -4.027 -2.922) 6.982 4.003 ( -0.689 -5.863 -1.119) 6.009 4.197 ( -1.589 -0.448 -3.480) 3.852 4.427 ( 3.437 1.927 3.459) 5.244 4.569 ( -2.465 0.783 5.113) 5.730 4.574 ( 0.141 -0.432 2.277) 2.322 4.738 ( 5.176 9.796 3.565) 11.639 5.209 ( 1.465 -2.815 -1.562) 3.537 5.436 ( -8.246 0.823 -0.314) 8.293 5.777 ( -6.013 -4.981 -0.600) 7.831 6.378 ( -0.612 -8.381 -2.131) 8.670 6.565 ( 0.271 -11.032 -0.341) 11.041 6.990 ( -6.079 2.160 -2.047) 6.769 7.130 ( -4.055 -3.656 -6.517) 8.502 7.262 ( -8.292 3.186 -4.155) 9.807 7.519 ( 1.349 -1.560 1.839) 2.763 7.663 ( 3.909 -0.095 0.838) 3.998 7.852 ( 3.846 -4.277 -0.811) 5.809 7.925 ( 11.436 -1.193 -2.809) 11.837 8.342 ( 2.703 -6.321 0.818) 6.923 8.593 ( 0.706 -1.654 13.111) 13.234 8.758 ( -0.096 0.956 5.747) 5.827 9.121 ( 1.506 2.317 3.418) 4.395 9.540 ( -4.974 1.128 -3.210) 6.026 9.684 ( -0.012 7.062 -0.403) 7.074 9.815 ( 1.407 -8.370 -2.751) 8.922 10.059 ( -1.487 5.074 0.305) 5.296 10.230 ( -1.165 5.125 -4.203) 6.729 10.353 ( 1.545 1.221 -3.783) 4.265 10.677 ( -2.527 4.903 -2.846) 6.207 10.937 ( -0.445 -0.344 0.236) 0.610 11.233 ( 5.522 0.458 7.906) 9.654 11.551 ( 0.777 -3.874 6.616) 7.707 11.689 ( -6.666 -2.062 -5.981) 9.191 12.005 ( -0.547 5.197 1.762) 5.515 12.678 ( -4.981 2.050 -2.405) 5.899 12.835 ( 2.981 2.294 -3.533) 5.160 13.257 ( -12.009 -3.423 7.328) 14.479 13.641 ( 19.867 2.252 -8.241) 21.626 14.636 ( 5.224 2.403 6.555) 8.720 15.092 ( 0.250 -6.115 -0.607) 6.150 15.521 ( -3.416 -8.080 1.061) 8.836 15.860 ( 1.508 0.496 -2.304) 2.797 16.044 ( 1.125 2.160 1.777) 3.014 16.304 ( -4.710 -3.390 -8.115) 9.977 16.621 ( -3.184 8.311 1.050) 8.961 16.893 ( 14.920 1.201 -4.521) 15.636 17.025 ( 0.147 14.757 -8.824) 17.194 17.854 ( -3.350 -4.231 17.604) 18.412 19.516 ( -4.323 -5.993 -3.287) 8.088 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 17.414 14.167 6.994) 23.513 1.276 ( 17.623 18.156 7.253) 26.321 1.951 ( 22.538 10.232 17.686) 30.421 2.396 ( -11.609 0.614 -5.428) 12.830 2.483 ( 2.633 -1.304 4.862) 5.681 2.611 ( -1.352 -1.726 -3.373) 4.023 2.841 ( 0.166 0.585 1.909) 2.003 2.973 ( -5.321 -2.807 -4.158) 7.313 3.129 ( -10.940 0.080 -4.397) 11.791 3.193 ( -6.089 -1.700 -0.683) 6.359 3.408 ( -3.264 -3.360 1.793) 5.016 3.916 ( -4.519 -8.748 -6.958) 12.057 4.186 ( 2.037 2.926 1.262) 3.782 4.499 ( 0.315 -1.559 2.403) 2.881 4.563 ( 1.827 2.422 -0.356) 3.054 4.674 ( -2.129 -1.357 14.104) 14.328 4.868 ( 5.070 8.480 3.744) 10.566 5.192 ( -3.482 -2.688 -1.566) 4.669 5.309 ( -3.893 2.017 1.311) 4.577 5.653 ( -7.676 -2.671 0.150) 8.129 6.330 ( -1.203 -7.600 -3.940) 8.644 6.551 ( 0.249 -6.911 -3.939) 7.959 6.869 ( -2.950 -0.983 -2.607) 4.058 7.047 ( -1.329 -2.021 -1.738) 2.979 7.110 ( -7.173 0.237 1.142) 7.267 7.488 ( -3.569 2.405 -1.056) 4.431 7.706 ( 0.280 -2.460 -0.938) 2.648 7.945 ( 8.503 -7.156 -2.666) 11.429 8.038 ( 4.499 -3.647 -0.687) 5.832 8.431 ( 7.938 -4.324 -2.224) 9.309 8.746 ( -0.007 -2.139 10.175) 10.398 8.783 ( -7.385 -2.074 9.156) 11.945 9.225 ( 4.339 3.992 5.770) 8.250 9.449 ( -2.110 3.415 -2.304) 4.629 9.651 ( -3.587 6.844 -3.179) 8.355 9.720 ( -2.474 -3.932 -10.993) 11.934 10.075 ( 2.260 3.964 4.776) 6.605 10.207 ( 0.740 7.407 1.988) 7.705 10.342 ( 4.929 -1.371 -6.262) 8.087 10.611 ( -0.185 3.749 -3.442) 5.093 10.982 ( 0.192 -3.614 5.213) 6.346 11.346 ( -3.401 -3.244 1.307) 4.879 11.485 ( -2.358 1.839 -6.788) 7.417 11.694 ( 2.687 -1.492 11.411) 11.818 11.987 ( -3.696 8.527 1.953) 9.497 12.571 ( -3.260 1.563 -4.048) 5.427 12.814 ( 1.019 1.169 -5.779) 5.984 13.189 ( -6.798 -5.681 7.526) 11.624 13.892 ( 20.491 4.856 -5.885) 21.866 14.817 ( 6.169 0.887 6.542) 9.036 15.060 ( -2.113 -0.522 -2.744) 3.503 15.481 ( -1.123 -9.747 -1.387) 9.909 15.856 ( -1.269 -1.714 0.237) 2.146 16.112 ( 3.497 3.850 0.272) 5.209 16.140 ( -0.769 0.345 -8.827) 8.867 16.573 ( -3.978 13.638 0.596) 14.219 16.899 ( -1.787 9.534 -2.963) 10.142 17.105 ( 17.710 -4.688 -12.096) 21.953 18.037 ( -3.415 -3.463 23.594) 24.091 19.362 ( -7.723 -6.509 -5.994) 11.745 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 12.129 6.679 3.019) 14.172 1.654 ( 17.411 10.286 7.116) 21.438 2.110 ( -10.683 0.756 -4.335) 11.553 2.207 ( -4.900 3.827 -8.282) 10.356 2.486 ( 1.476 -3.226 -0.127) 3.550 2.630 ( 3.251 -0.775 0.728) 3.421 2.791 ( -8.144 1.509 -1.685) 8.452 2.891 ( -2.850 -1.526 1.497) 3.562 2.972 ( -4.307 2.920 0.790) 5.263 3.093 ( -5.719 -2.424 -0.971) 6.287 3.395 ( -2.673 -2.220 4.569) 5.740 3.715 ( -8.494 -6.130 -9.111) 13.883 4.274 ( 7.269 1.117 1.048) 7.428 4.563 ( 0.673 -1.943 11.902) 12.078 4.642 ( 5.972 0.917 0.849) 6.101 4.759 ( -4.144 -1.390 10.650) 11.512 4.978 ( 2.994 3.780 4.051) 6.298 5.096 ( -4.784 -2.662 -1.235) 5.612 5.336 ( 1.154 0.508 4.072) 4.263 5.552 ( -4.711 2.885 0.753) 5.575 6.253 ( -1.513 -4.892 -5.493) 7.510 6.494 ( -0.688 -4.065 -3.837) 5.631 6.844 ( 1.615 0.689 -1.247) 2.154 6.991 ( -4.213 -2.209 -1.357) 4.947 7.088 ( -1.998 -5.709 8.221) 10.206 7.397 ( -4.106 4.802 -3.968) 7.461 7.688 ( -0.753 -5.641 0.368) 5.703 8.024 ( 4.866 -6.505 -3.272) 8.758 8.085 ( 1.679 -8.619 0.455) 8.793 8.494 ( 4.014 -0.821 -5.895) 7.179 8.706 ( -9.711 -0.372 5.335) 11.086 8.835 ( -2.905 -0.385 7.922) 8.447 9.308 ( -9.050 2.762 -11.508) 14.899 9.352 ( 4.302 4.743 1.294) 6.533 9.527 ( 2.160 4.567 -1.510) 5.272 9.663 ( 2.064 2.660 -1.968) 3.900 10.207 ( 2.598 4.104 6.682) 8.261 10.260 ( 0.838 5.719 4.801) 7.514 10.390 ( 9.449 -0.664 -6.234) 11.340 10.628 ( 4.397 1.393 1.112) 4.745 11.020 ( -2.236 -6.165 3.664) 7.512 11.120 ( -9.736 0.621 -10.747) 14.514 11.490 ( -0.026 -6.380 1.756) 6.618 11.836 ( -2.874 0.453 5.185) 5.945 12.019 ( 5.618 12.462 9.550) 16.676 12.481 ( -2.147 3.397 -3.860) 5.572 12.745 ( -0.045 0.403 -7.697) 7.708 13.183 ( -4.359 -6.789 6.947) 10.647 14.191 ( 20.985 6.459 -1.963) 22.044 14.937 ( -1.780 -0.273 2.515) 3.094 14.991 ( 1.874 0.734 -2.734) 3.395 15.444 ( -0.340 -7.481 -3.531) 8.280 15.814 ( -2.752 -3.001 -1.301) 4.275 16.003 ( 2.327 0.446 -13.921) 14.121 16.176 ( -3.293 15.137 3.138) 15.806 16.520 ( -4.228 13.980 2.510) 14.819 16.942 ( 7.461 -2.792 4.196) 9.004 17.222 ( 12.144 -3.215 -10.722) 16.516 18.250 ( -1.399 -4.508 20.451) 20.988 19.140 ( -9.400 -7.553 -7.540) 14.222 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -1.008 2.384 -7.422) 7.860 1.833 ( -8.189 2.063 0.579) 8.465 2.021 ( 3.528 0.495 -5.725) 6.743 2.111 ( 12.819 3.797 0.809) 13.394 2.495 ( -1.789 -3.886 3.234) 5.363 2.613 ( -2.609 -3.141 -4.877) 6.360 2.688 ( -2.412 5.863 0.041) 6.340 2.789 ( -8.179 1.124 1.619) 8.413 2.932 ( -4.964 0.665 0.568) 5.040 2.982 ( -4.050 -1.304 -2.983) 5.196 3.386 ( -6.608 -3.947 -2.322) 8.040 3.472 ( -5.915 -1.013 -2.928) 6.677 4.451 ( 10.652 -0.927 2.445) 10.968 4.695 ( 0.543 1.076 2.697) 2.954 4.799 ( 4.537 -4.878 12.798) 14.428 4.861 ( 2.856 -1.128 10.297) 10.745 5.002 ( -2.202 -4.841 -2.904) 6.060 5.063 ( 2.240 -0.199 3.133) 3.857 5.362 ( -4.357 0.727 2.335) 4.997 5.527 ( 0.038 4.503 1.402) 4.717 6.166 ( -1.312 -2.051 -4.969) 5.533 6.467 ( 0.539 -1.085 -0.614) 1.358 6.866 ( -0.638 3.868 0.995) 4.045 6.918 ( -0.949 -2.777 -0.633) 3.002 7.147 ( -4.228 -0.043 4.907) 6.477 7.291 ( -0.042 -2.057 -3.456) 4.022 7.704 ( 1.037 -11.292 1.126) 11.395 8.044 ( 0.306 -12.412 -1.817) 12.548 8.103 ( 0.186 -4.435 2.137) 4.927 8.427 ( -1.417 0.740 -9.041) 9.181 8.602 ( -8.136 4.682 3.958) 10.188 8.837 ( -4.041 8.743 2.610) 9.979 9.042 ( -5.258 1.747 -10.088) 11.509 9.387 ( 2.299 3.040 -3.828) 5.402 9.614 ( 4.751 0.351 2.866) 5.559 9.721 ( 4.058 3.169 2.111) 5.565 10.267 ( 0.435 5.229 2.473) 5.801 10.360 ( 1.396 2.792 8.282) 8.850 10.484 ( 8.851 1.805 -5.999) 10.844 10.721 ( -1.828 2.819 1.086) 3.531 10.871 ( 0.262 -0.901 -8.466) 8.518 11.018 ( -2.565 -6.172 1.696) 6.895 11.492 ( -2.385 -7.278 2.847) 8.171 11.786 ( -4.531 1.705 1.179) 4.982 12.249 ( 4.161 3.803 4.494) 7.209 12.450 ( 2.611 8.747 3.544) 9.792 12.652 ( 0.135 1.311 -7.898) 8.007 13.186 ( -3.578 -6.197 4.541) 8.475 14.524 ( 19.451 6.831 0.586) 20.624 14.863 ( -4.205 -0.453 -0.669) 4.282 15.042 ( 2.933 -2.051 0.164) 3.582 15.388 ( -2.351 -4.590 -2.433) 5.702 15.746 ( -0.846 -1.696 -5.565) 5.879 15.870 ( -1.719 10.203 -10.937) 15.056 16.128 ( -4.350 9.975 3.315) 11.376 16.472 ( -4.454 13.426 1.322) 14.207 17.179 ( 9.667 -6.775 5.416) 12.988 17.287 ( 8.234 -1.549 -4.105) 9.330 18.431 ( -0.013 -5.657 13.062) 14.234 18.903 ( -8.580 -9.287 -7.147) 14.524 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 3.616 3.172 -3.931) 6.212 1.705 ( -5.087 0.648 0.140) 5.130 1.912 ( -5.277 0.299 -5.396) 7.553 2.400 ( 12.799 -1.929 4.130) 13.587 2.526 ( -2.156 -2.304 0.576) 3.207 2.551 ( 3.939 -1.697 0.908) 4.384 2.621 ( -6.398 -0.166 -2.134) 6.747 2.724 ( -4.833 1.380 1.606) 5.277 2.876 ( 2.078 0.014 2.898) 3.567 2.913 ( -1.226 2.336 -1.363) 2.970 3.117 ( -10.944 -0.363 -8.760) 14.023 3.471 ( -0.080 -0.864 1.842) 2.037 4.632 ( 7.066 -2.196 1.638) 7.578 4.741 ( -0.008 0.261 4.650) 4.658 4.806 ( -3.350 -3.666 -3.574) 6.118 5.023 ( 1.889 -5.172 1.689) 5.760 5.090 ( 5.685 -1.699 8.599) 10.448 5.120 ( 2.083 -1.363 0.388) 2.519 5.270 ( -6.047 -0.340 -0.737) 6.102 5.539 ( -0.409 -1.418 0.454) 1.544 6.114 ( -0.338 0.714 -1.722) 1.894 6.484 ( 0.890 3.322 0.415) 3.464 6.850 ( -1.085 3.175 1.614) 3.724 6.949 ( 3.528 3.040 -0.922) 4.747 7.036 ( -6.811 6.035 -1.388) 9.206 7.337 ( 2.656 -11.204 1.149) 11.572 7.721 ( -0.052 -16.421 0.131) 16.422 8.006 ( -1.170 -16.022 -0.834) 16.086 8.166 ( -0.203 -0.706 7.769) 7.804 8.284 ( -1.022 0.616 -10.338) 10.407 8.544 ( -2.492 14.185 1.114) 14.446 8.778 ( -2.436 10.689 -1.068) 11.015 8.932 ( -1.312 -0.125 -1.564) 2.045 9.373 ( 1.027 0.963 -2.543) 2.907 9.700 ( 1.751 -3.450 1.658) 4.209 9.804 ( 2.572 5.605 1.189) 6.281 10.314 ( 0.802 2.442 3.765) 4.559 10.465 ( 0.314 3.007 5.829) 6.567 10.517 ( 1.128 4.074 -2.759) 5.048 10.569 ( -1.728 5.792 -8.936) 10.789 10.934 ( 3.175 -3.723 1.686) 5.176 10.996 ( -1.011 -5.904 0.148) 5.991 11.489 ( -1.120 -4.499 1.815) 4.978 11.741 ( -1.521 -1.592 0.104) 2.205 12.235 ( -1.531 2.986 -1.899) 3.856 12.566 ( -0.739 2.176 0.961) 2.491 12.634 ( 5.209 7.569 0.765) 9.220 13.167 ( -2.087 -4.622 1.203) 5.212 14.782 ( 5.401 3.340 3.631) 7.315 14.813 ( 2.320 -0.274 -4.084) 4.706 15.120 ( 6.404 -2.097 2.832) 7.309 15.290 ( -7.900 -2.335 -1.636) 8.399 15.674 ( -0.216 -0.689 -3.746) 3.815 15.739 ( -2.042 15.527 -4.516) 16.298 16.125 ( -0.458 6.794 1.836) 7.053 16.417 ( -2.378 12.423 0.162) 12.650 17.258 ( 1.810 -4.098 -1.618) 4.763 17.449 ( 5.471 -2.791 3.360) 7.001 18.533 ( 0.145 -6.281 4.442) 7.694 18.730 ( -3.902 -11.260 -3.345) 12.377 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 24.075 0.000) 24.075 1.296 ( 0.000 27.402 0.000) 27.402 1.861 ( 0.000 35.213 0.000) 35.213 2.195 ( 0.000 -0.547 0.000) 0.547 2.632 ( 0.000 -3.638 0.000) 3.638 2.714 ( 0.000 0.789 0.000) 0.789 2.836 ( 0.000 -1.440 0.000) 1.440 2.967 ( 0.000 -1.820 0.000) 1.820 3.294 ( 0.000 -3.900 0.000) 3.900 3.303 ( 0.000 -6.079 0.000) 6.079 3.464 ( 0.000 -4.532 0.000) 4.532 3.836 ( 0.000 -13.313 0.000) 13.313 4.173 ( 0.000 -3.029 0.000) 3.029 4.340 ( 0.000 -3.767 0.000) 3.767 4.627 ( 0.000 4.960 0.000) 4.960 4.680 ( 0.000 8.883 0.000) 8.883 4.921 ( 0.000 13.110 0.000) 13.110 5.122 ( 0.000 -2.722 0.000) 2.722 5.508 ( 0.000 -0.883 0.000) 0.883 5.678 ( 0.000 -8.740 0.000) 8.740 6.236 ( 0.000 -6.002 0.000) 6.002 6.308 ( 0.000 -10.456 0.000) 10.456 7.081 ( 0.000 -1.138 0.000) 1.138 7.145 ( 0.000 -8.157 0.000) 8.157 7.379 ( 0.000 2.915 0.000) 2.915 7.453 ( 0.000 2.246 0.000) 2.246 7.629 ( 0.000 -3.977 0.000) 3.977 7.741 ( 0.000 -2.892 0.000) 2.892 7.758 ( 0.000 -4.728 0.000) 4.728 8.152 ( 0.000 -10.085 0.000) 10.085 8.503 ( 0.000 0.515 0.000) 0.515 8.700 ( 0.000 -3.003 0.000) 3.003 9.164 ( 0.000 5.126 0.000) 5.126 9.592 ( 0.000 -7.281 0.000) 7.281 9.616 ( 0.000 -0.395 0.000) 0.395 9.838 ( 0.000 3.111 0.000) 3.111 10.241 ( 0.000 8.352 0.000) 8.352 10.292 ( 0.000 1.732 0.000) 1.732 10.466 ( 0.000 6.504 0.000) 6.504 10.805 ( 0.000 2.112 0.000) 2.112 11.053 ( 0.000 -0.230 0.000) 0.230 11.086 ( 0.000 4.492 0.000) 4.492 11.402 ( 0.000 -5.041 0.000) 5.041 11.667 ( 0.000 -7.059 0.000) 7.059 12.128 ( 0.000 8.671 0.000) 8.671 12.846 ( 0.000 0.482 0.000) 0.482 12.852 ( 0.000 5.289 0.000) 5.289 13.233 ( 0.000 -8.548 0.000) 8.548 13.638 ( 0.000 14.119 0.000) 14.119 14.642 ( 0.000 5.874 0.000) 5.874 14.940 ( 0.000 -6.302 0.000) 6.302 15.377 ( 0.000 -8.861 0.000) 8.861 15.859 ( 0.000 -0.316 0.000) 0.316 15.944 ( 0.000 -7.306 0.000) 7.306 16.423 ( 0.000 1.134 0.000) 1.134 16.631 ( 0.000 -2.778 0.000) 2.778 16.843 ( 0.000 6.929 0.000) 6.929 17.605 ( 0.000 -9.722 0.000) 9.722 17.656 ( 0.000 28.914 0.000) 28.914 19.393 ( 0.000 -10.955 0.000) 10.955 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 11.518 21.044 8.504) 25.453 1.406 ( 9.819 23.523 6.163) 26.225 1.949 ( 7.726 29.154 5.132) 30.594 2.294 ( 6.473 -0.785 5.993) 8.857 2.561 ( -0.429 -2.499 -9.723) 10.048 2.699 ( -7.102 1.398 5.206) 8.916 2.818 ( -0.508 -2.490 -2.264) 3.404 2.957 ( -1.961 -1.944 2.082) 3.458 3.246 ( -2.237 -4.674 -4.742) 7.024 3.282 ( -5.123 -4.835 1.039) 7.120 3.368 ( -5.610 -5.333 -4.509) 8.958 3.802 ( -2.183 -12.360 -2.754) 12.849 4.187 ( -0.485 -1.010 3.698) 3.864 4.424 ( 0.355 -2.797 12.101) 12.425 4.609 ( -0.490 4.547 -2.467) 5.196 4.658 ( -1.935 7.595 0.650) 7.864 4.971 ( 3.141 10.450 2.126) 11.117 5.138 ( 3.263 -2.126 -2.696) 4.737 5.448 ( -6.737 -0.018 0.141) 6.739 5.638 ( -3.653 -7.556 -0.584) 8.413 6.212 ( -1.460 -6.285 -0.478) 6.470 6.343 ( 3.057 -9.429 -0.035) 9.912 6.943 ( -8.560 -4.641 -6.551) 11.735 7.058 ( -4.451 -3.719 -1.541) 6.001 7.338 ( -6.959 3.564 -4.096) 8.826 7.483 ( 1.950 -1.790 1.546) 3.065 7.646 ( 3.243 -1.806 0.741) 3.785 7.742 ( -0.569 -5.669 -0.073) 5.698 7.869 ( 9.672 -3.836 -0.503) 10.417 8.170 ( 2.396 -9.611 1.438) 10.009 8.573 ( 1.640 -0.156 8.580) 8.736 8.729 ( 0.724 -3.145 2.618) 4.156 9.203 ( 1.995 5.019 4.108) 6.786 9.547 ( -1.684 -1.462 -1.475) 2.673 9.650 ( 2.063 -4.252 -1.160) 4.866 9.838 ( 1.182 3.600 -2.082) 4.324 10.194 ( -2.266 7.071 -1.944) 7.676 10.281 ( 0.365 1.651 -2.241) 2.808 10.444 ( -1.154 6.333 -3.015) 7.108 10.770 ( -2.151 2.809 -3.068) 4.683 10.947 ( -2.164 1.838 -1.459) 3.192 11.243 ( 3.126 -0.300 6.595) 7.304 11.473 ( 3.632 -2.797 8.245) 9.434 11.611 ( -2.245 -4.687 -5.833) 7.813 12.151 ( 1.342 8.492 1.308) 8.696 12.730 ( -5.442 2.170 -3.940) 7.060 12.890 ( -0.765 2.560 0.517) 2.722 13.142 ( -9.252 -6.019 3.095) 11.463 13.796 ( 17.578 12.294 -3.358) 21.712 14.709 ( 5.034 4.384 3.191) 7.399 14.992 ( 5.628 -4.105 0.151) 6.968 15.350 ( -2.868 -7.837 0.077) 8.346 15.843 ( -1.167 -1.335 -1.037) 2.054 15.964 ( 3.167 -7.341 -0.832) 8.038 16.301 ( -4.435 1.533 -7.581) 8.915 16.734 ( 5.814 -1.523 2.157) 6.385 16.876 ( 6.737 3.965 -4.392) 8.967 17.460 ( -3.318 15.330 -10.247) 18.735 17.790 ( -4.549 4.413 20.432) 21.393 19.334 ( -4.947 -11.199 -3.169) 12.647 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 8.328 17.600 6.259) 20.452 1.680 ( 12.052 18.715 4.858) 22.784 2.210 ( 11.441 12.265 6.407) 17.954 2.396 ( -2.907 -0.707 -8.832) 9.324 2.460 ( 1.592 -0.626 0.553) 1.798 2.605 ( -8.487 1.086 2.286) 8.856 2.794 ( 1.034 -4.764 -0.156) 4.878 2.944 ( -2.923 0.231 1.099) 3.132 3.085 ( -8.651 -5.182 -3.355) 10.627 3.146 ( -4.928 -2.279 -4.591) 7.110 3.316 ( -2.384 -4.797 3.737) 6.531 3.705 ( -4.113 -10.695 -5.017) 12.509 4.248 ( 0.861 2.837 6.280) 6.944 4.498 ( -3.043 2.211 2.221) 4.368 4.621 ( -3.053 0.986 7.729) 8.368 4.668 ( 2.240 3.235 5.509) 6.769 5.023 ( 0.937 3.122 -0.722) 3.338 5.138 ( -1.404 0.340 -1.203) 1.880 5.336 ( -5.857 0.033 1.683) 6.094 5.587 ( -1.718 -3.646 0.573) 4.071 6.187 ( -0.608 -5.088 -1.051) 5.231 6.383 ( 2.542 -7.828 -1.924) 8.453 6.782 ( -1.812 -5.437 -4.703) 7.413 6.967 ( -5.112 -5.478 0.548) 7.513 7.177 ( -7.322 4.532 -2.558) 8.983 7.481 ( -2.117 -3.485 0.017) 4.077 7.660 ( -2.293 -1.514 -0.576) 2.807 7.766 ( 4.521 -8.578 -2.646) 10.051 7.964 ( 3.074 -3.303 -0.567) 4.547 8.288 ( 7.550 -8.525 2.402) 11.638 8.706 ( -1.140 -0.715 11.596) 11.674 8.753 ( -0.326 -1.282 1.984) 2.385 9.316 ( 4.592 4.488 5.209) 8.268 9.520 ( 0.625 1.970 -2.487) 3.234 9.627 ( 0.165 -2.342 -6.152) 6.585 9.810 ( -0.298 4.670 -5.350) 7.108 10.187 ( 1.943 5.787 3.197) 6.891 10.275 ( 1.242 -1.161 -0.626) 1.812 10.393 ( -0.158 6.610 -1.260) 6.731 10.685 ( -1.599 2.556 -5.215) 6.024 10.929 ( -1.048 -0.328 0.886) 1.411 11.282 ( -4.840 -3.041 2.427) 6.210 11.490 ( -1.715 -0.315 -7.819) 8.011 11.678 ( 5.750 -0.491 10.639) 12.103 12.191 ( 1.944 10.165 1.715) 10.491 12.617 ( -2.791 2.376 -2.924) 4.689 12.843 ( -4.122 1.224 -0.835) 4.380 13.053 ( -6.369 -6.103 4.030) 9.698 14.077 ( 20.470 12.632 -3.199) 24.265 14.839 ( 6.114 0.958 1.880) 6.468 15.077 ( 4.209 2.178 -3.264) 5.754 15.311 ( -1.046 -6.988 0.556) 7.088 15.803 ( -1.885 -2.230 -1.210) 3.161 16.016 ( 5.153 -6.196 -5.741) 9.895 16.216 ( 3.356 0.921 -0.312) 3.494 16.811 ( -0.406 4.138 3.770) 5.613 16.931 ( 7.819 -2.220 -9.842) 12.764 17.305 ( -2.454 20.717 -7.044) 22.019 17.951 ( -5.523 -3.240 22.847) 23.727 19.165 ( -9.059 -12.013 -5.905) 16.163 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.106 9.132 4.626) 10.238 1.906 ( 11.366 11.939 -0.229) 16.486 2.154 ( -7.422 3.647 -5.617) 9.997 2.282 ( -8.337 2.647 -10.567) 13.718 2.430 ( -0.909 -2.546 0.787) 2.816 2.557 ( 3.716 -3.786 -3.495) 6.352 2.829 ( -0.490 -3.324 1.742) 3.785 2.884 ( -3.696 3.568 -0.864) 5.209 3.000 ( -2.739 -5.628 -3.550) 7.195 3.034 ( -4.419 2.912 3.379) 6.279 3.334 ( -2.627 -3.470 5.729) 7.195 3.559 ( -6.062 -7.932 -5.646) 11.469 4.325 ( 4.119 4.249 0.253) 5.924 4.526 ( 0.998 -0.067 8.447) 8.506 4.672 ( 1.675 1.639 7.131) 7.506 4.764 ( -3.619 1.779 9.020) 9.880 4.975 ( -3.506 -5.113 -2.584) 6.716 5.087 ( -3.755 3.118 2.220) 5.362 5.327 ( -1.115 -2.195 4.599) 5.217 5.579 ( -1.696 -2.117 1.056) 2.911 6.163 ( 0.058 -2.544 -2.727) 3.730 6.389 ( 2.146 -4.807 -1.719) 5.538 6.787 ( 5.633 -4.474 -1.555) 7.360 6.924 ( -1.485 -8.063 1.753) 8.383 7.049 ( -6.946 4.548 1.473) 8.433 7.433 ( -2.361 -3.040 -1.833) 4.263 7.588 ( -5.188 -1.265 -0.545) 5.368 7.782 ( 1.646 -12.375 -4.294) 13.202 8.004 ( 0.717 -1.593 3.269) 3.707 8.402 ( 4.304 -7.139 -1.086) 8.407 8.718 ( -5.121 1.770 5.024) 7.389 8.839 ( 1.823 0.820 6.399) 6.703 9.390 ( -0.682 4.044 -6.117) 7.364 9.472 ( 2.016 4.294 -6.406) 7.971 9.596 ( 2.183 3.291 0.054) 3.950 9.734 ( 0.317 3.465 -4.489) 5.680 10.301 ( 2.758 2.634 5.327) 6.551 10.318 ( 3.406 -1.285 2.800) 4.593 10.425 ( 3.272 4.773 1.242) 5.919 10.643 ( 2.435 0.024 -1.210) 2.719 10.910 ( -2.519 -2.409 0.743) 3.564 11.139 ( -8.832 0.823 -5.469) 10.421 11.416 ( 0.954 -0.284 -4.757) 4.861 11.818 ( -0.955 -1.962 4.890) 5.354 12.287 ( 5.053 12.008 5.079) 13.983 12.574 ( 0.217 4.648 -1.229) 4.812 12.755 ( -3.657 0.490 -2.658) 4.547 13.018 ( -4.453 -7.996 5.661) 10.762 14.393 ( 21.125 12.317 -1.978) 24.533 14.930 ( 2.874 -1.071 0.512) 3.109 15.024 ( -1.227 3.142 -8.056) 8.733 15.335 ( 1.211 -3.071 1.673) 3.701 15.759 ( 0.175 -2.267 -4.590) 5.122 16.000 ( 5.193 1.082 -7.969) 9.573 16.394 ( 7.812 1.491 6.834) 10.486 16.814 ( -2.558 4.385 1.767) 5.375 16.903 ( -0.864 5.388 -1.180) 5.582 17.244 ( 4.738 9.726 -8.068) 13.496 18.117 ( -3.799 -7.761 19.873) 21.671 18.914 ( -11.580 -13.622 -7.766) 19.492 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -5.529 3.611 -1.790) 6.842 1.882 ( -8.464 2.296 -4.770) 9.983 2.053 ( 0.085 2.095 -7.024) 7.330 2.205 ( 9.495 4.416 -2.222) 10.704 2.410 ( -3.239 -3.946 4.903) 7.078 2.540 ( 0.777 -3.612 -6.937) 7.859 2.765 ( -7.326 -1.749 -1.291) 7.642 2.838 ( 0.203 3.873 0.165) 3.882 2.885 ( -5.666 -1.564 -3.523) 6.853 3.017 ( -2.505 3.574 1.428) 4.592 3.301 ( -7.065 -3.867 -2.240) 8.360 3.426 ( -3.013 -3.269 0.854) 4.527 4.441 ( 9.152 0.438 0.453) 9.173 4.670 ( 7.107 -2.676 3.710) 8.452 4.742 ( -4.868 0.184 3.150) 5.801 4.852 ( 1.653 0.022 10.804) 10.930 4.904 ( -2.577 -3.370 4.519) 6.199 5.083 ( -0.056 1.556 2.000) 2.535 5.327 ( -5.327 -4.859 2.783) 7.729 5.528 ( -5.390 -5.181 0.539) 7.496 6.133 ( 0.486 -0.631 -2.694) 2.809 6.451 ( 5.487 -0.258 1.134) 5.609 6.890 ( 7.356 -1.197 -0.703) 7.486 6.934 ( 0.059 -3.400 1.153) 3.591 7.009 ( -2.287 -2.028 5.470) 6.266 7.346 ( -4.668 1.252 -4.303) 6.471 7.498 ( -4.321 -4.403 -0.307) 6.176 7.730 ( -2.226 -14.056 -2.982) 14.541 8.067 ( -0.632 -0.518 7.467) 7.511 8.392 ( 0.204 -4.133 -7.130) 8.244 8.710 ( -1.436 5.079 4.753) 7.102 8.932 ( 0.820 2.712 6.255) 6.866 9.198 ( -4.729 9.573 -13.620) 17.306 9.459 ( 1.621 2.845 -5.590) 6.478 9.601 ( 0.839 -0.058 -1.943) 2.117 9.793 ( 5.517 2.426 2.984) 6.725 10.340 ( -0.940 -0.392 1.403) 1.734 10.439 ( 2.998 4.780 6.948) 8.950 10.522 ( 7.385 0.082 -0.841) 7.433 10.735 ( 3.300 -1.742 5.962) 7.033 10.854 ( -4.194 -1.744 -2.251) 5.070 10.935 ( -5.253 2.358 -6.276) 8.518 11.398 ( 1.826 -0.860 -2.597) 3.289 11.780 ( -5.041 -2.151 -0.328) 5.491 12.379 ( -0.049 7.635 0.571) 7.656 12.621 ( 1.315 6.329 4.579) 7.922 12.684 ( 2.011 1.809 -3.777) 4.646 13.029 ( -2.542 -7.912 5.864) 10.171 14.707 ( 18.129 9.369 -1.999) 20.504 14.881 ( -4.599 2.285 -3.611) 6.277 14.983 ( 3.975 -3.067 -3.024) 5.862 15.368 ( -1.033 2.394 3.240) 4.159 15.694 ( 0.560 -2.447 -6.912) 7.354 16.041 ( 7.911 8.483 -5.378) 12.785 16.440 ( -6.265 14.813 0.214) 16.085 16.783 ( -4.467 11.877 2.162) 12.872 17.006 ( 7.285 -6.317 8.303) 12.725 17.259 ( 6.844 0.474 -5.564) 8.832 18.260 ( -1.804 -10.476 13.016) 16.805 18.627 ( -11.541 -16.332 -8.068) 21.564 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 3.843 5.033 0.146) 6.334 1.721 ( -5.462 1.064 -1.879) 5.873 1.923 ( -5.567 1.080 -5.843) 8.142 2.338 ( 6.686 -4.583 0.870) 8.153 2.451 ( -0.893 -4.112 1.201) 4.376 2.503 ( 4.071 -2.831 0.400) 4.975 2.615 ( -7.186 -1.360 -2.165) 7.627 2.739 ( -6.031 0.973 -2.774) 6.709 2.902 ( 5.560 3.338 1.923) 6.764 2.990 ( -2.437 3.834 0.542) 4.575 3.119 ( -6.858 0.643 -4.523) 8.240 3.435 ( -0.094 -2.622 1.731) 3.143 4.587 ( 6.583 -1.671 0.187) 6.794 4.682 ( -3.842 -3.127 0.463) 4.975 4.805 ( 3.634 0.363 0.560) 3.695 4.894 ( 2.629 -4.928 1.938) 5.912 5.029 ( 1.684 -2.814 5.415) 6.331 5.116 ( -1.035 -0.650 4.113) 4.291 5.225 ( -5.332 -3.280 -1.927) 6.550 5.443 ( -3.871 -8.186 0.015) 9.055 6.123 ( 0.421 0.171 -0.738) 0.866 6.554 ( 3.654 1.915 1.141) 4.280 6.949 ( -0.217 5.203 2.432) 5.747 7.011 ( 5.940 0.239 0.952) 6.021 7.048 ( 1.161 -9.403 0.982) 9.525 7.196 ( -6.527 4.360 -3.637) 8.651 7.445 ( -1.700 -6.973 -0.273) 7.183 7.674 ( -1.400 -13.880 -0.681) 13.967 8.143 ( -1.254 -1.023 8.211) 8.369 8.287 ( -0.128 -0.874 -8.745) 8.789 8.791 ( 2.631 7.985 7.753) 11.436 8.959 ( -3.234 6.751 -9.613) 12.184 9.014 ( -1.248 8.543 1.686) 8.797 9.402 ( 0.221 1.557 -4.583) 4.845 9.615 ( 0.884 -4.048 0.343) 4.157 9.903 ( 3.338 2.553 1.559) 4.483 10.332 ( -1.269 -1.043 1.086) 1.969 10.548 ( 1.084 3.667 4.706) 6.064 10.609 ( 3.970 2.594 -1.671) 5.028 10.724 ( -3.322 7.983 -2.409) 8.976 10.836 ( 3.165 -5.936 -2.951) 7.346 10.861 ( -2.543 -2.967 3.608) 5.319 11.414 ( 1.581 -1.328 -0.323) 2.090 11.692 ( -3.122 -3.143 -1.282) 4.611 12.351 ( -1.101 6.758 -0.961) 6.914 12.604 ( -1.395 1.087 -0.449) 1.824 12.776 ( 3.784 5.204 1.542) 6.616 13.050 ( -0.996 -5.825 2.579) 6.447 14.788 ( -2.595 1.277 -0.369) 2.916 14.873 ( 5.110 2.111 -3.844) 6.734 15.078 ( 8.290 -2.048 0.257) 8.543 15.342 ( -5.429 4.237 1.802) 7.118 15.667 ( 1.945 3.755 -1.461) 4.474 16.079 ( 2.888 15.987 -4.961) 16.986 16.344 ( -3.725 13.130 1.470) 13.727 16.731 ( -2.922 14.877 0.846) 15.185 17.146 ( 1.965 -5.121 1.263) 5.629 17.368 ( 6.164 -4.536 1.778) 7.856 18.341 ( -0.813 -11.820 4.955) 12.843 18.395 ( -5.767 -19.856 -4.788) 21.223 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 20.354 0.000) 20.354 1.817 ( 0.000 21.905 0.000) 21.905 2.139 ( 0.000 -5.582 0.000) 5.582 2.422 ( 0.000 7.708 0.000) 7.708 2.568 ( 0.000 7.154 0.000) 7.154 2.763 ( 0.000 3.947 0.000) 3.947 2.816 ( 0.000 0.729 0.000) 0.729 2.941 ( 0.000 -1.712 0.000) 1.712 3.144 ( 0.000 -8.307 0.000) 8.307 3.215 ( 0.000 -2.955 0.000) 2.955 3.370 ( 0.000 -4.306 0.000) 4.306 3.498 ( 0.000 -17.147 0.000) 17.147 4.124 ( 0.000 -1.085 0.000) 1.085 4.238 ( 0.000 -5.300 0.000) 5.300 4.767 ( 0.000 7.557 0.000) 7.557 4.864 ( 0.000 6.769 0.000) 6.769 5.144 ( 0.000 4.563 0.000) 4.563 5.149 ( 0.000 7.460 0.000) 7.460 5.479 ( 0.000 -1.534 0.000) 1.534 5.504 ( 0.000 -6.521 0.000) 6.521 6.131 ( 0.000 -5.929 0.000) 5.929 6.156 ( 0.000 -2.708 0.000) 2.708 7.000 ( 0.000 -4.932 0.000) 4.932 7.029 ( 0.000 -3.269 0.000) 3.269 7.468 ( 0.000 5.234 0.000) 5.234 7.495 ( 0.000 1.792 0.000) 1.792 7.534 ( 0.000 -3.352 0.000) 3.352 7.650 ( 0.000 -4.871 0.000) 4.871 7.662 ( 0.000 -4.347 0.000) 4.347 7.916 ( 0.000 -11.704 0.000) 11.704 8.525 ( 0.000 1.625 0.000) 1.625 8.625 ( 0.000 -3.304 0.000) 3.304 9.282 ( 0.000 5.646 0.000) 5.646 9.474 ( 0.000 -4.145 0.000) 4.145 9.617 ( 0.000 0.780 0.000) 0.780 9.797 ( 0.000 -5.903 0.000) 5.903 10.374 ( 0.000 5.061 0.000) 5.061 10.396 ( 0.000 5.520 0.000) 5.520 10.605 ( 0.000 6.340 0.000) 6.340 10.799 ( 0.000 -2.297 0.000) 2.297 11.057 ( 0.000 0.884 0.000) 0.884 11.146 ( 0.000 -0.566 0.000) 0.566 11.345 ( 0.000 0.984 0.000) 0.984 11.524 ( 0.000 -6.068 0.000) 6.068 12.347 ( 0.000 11.780 0.000) 11.780 12.789 ( 0.000 -6.326 0.000) 6.326 12.958 ( 0.000 4.473 0.000) 4.473 13.101 ( 0.000 -3.959 0.000) 3.959 13.997 ( 0.000 19.263 0.000) 19.263 14.748 ( 0.000 -12.870 0.000) 12.870 14.795 ( 0.000 8.582 0.000) 8.582 15.200 ( 0.000 -8.530 0.000) 8.530 15.814 ( 0.000 -3.436 0.000) 3.436 15.844 ( 0.000 -1.274 0.000) 1.274 16.448 ( 0.000 1.368 0.000) 1.368 16.561 ( 0.000 -3.643 0.000) 3.643 17.001 ( 0.000 7.943 0.000) 7.943 17.388 ( 0.000 -10.422 0.000) 10.422 18.243 ( 0.000 25.986 0.000) 25.986 19.114 ( 0.000 -15.581 0.000) 15.581 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 9.253 18.719 8.685) 22.615 1.864 ( 5.441 19.230 0.612) 19.995 2.242 ( 6.281 -4.410 6.541) 10.084 2.429 ( 0.240 5.786 0.583) 5.820 2.498 ( -1.097 5.054 -8.030) 9.551 2.730 ( -3.893 2.114 -1.497) 4.676 2.789 ( -4.340 0.889 1.224) 4.596 2.945 ( -1.118 -1.089 2.037) 2.566 3.094 ( -2.264 -8.762 -9.169) 12.883 3.154 ( -4.906 -6.460 0.289) 8.117 3.285 ( -3.030 -1.888 -2.961) 4.638 3.529 ( -0.423 -12.275 1.299) 12.351 4.174 ( 0.417 0.562 8.234) 8.264 4.332 ( 1.204 -5.287 13.561) 14.605 4.742 ( -1.982 7.474 -1.900) 7.963 4.848 ( -0.884 8.187 -1.284) 8.334 5.097 ( -3.263 3.030 -2.040) 4.898 5.185 ( 1.933 4.160 0.934) 4.681 5.434 ( -5.581 -0.921 0.205) 5.660 5.489 ( -0.891 -5.782 -0.554) 5.877 6.110 ( -0.529 -3.607 -0.349) 3.662 6.197 ( 3.733 -4.647 -0.253) 5.966 6.856 ( -8.128 -2.643 -6.449) 10.706 6.960 ( -6.014 -5.269 -2.374) 8.341 7.403 ( -4.832 2.625 -3.248) 6.386 7.446 ( -4.297 -1.428 1.644) 4.818 7.607 ( 4.543 -1.166 -0.561) 4.723 7.639 ( -0.702 -3.519 -1.539) 3.904 7.780 ( 8.123 -3.839 4.030) 9.847 7.956 ( 4.271 -10.147 1.869) 11.166 8.586 ( 2.865 1.260 5.710) 6.512 8.661 ( 2.607 -2.692 1.674) 4.104 9.315 ( 1.952 5.379 3.190) 6.552 9.486 ( 1.865 -3.093 -0.583) 3.659 9.623 ( 1.116 0.570 -0.907) 1.547 9.800 ( 1.470 -5.980 -1.746) 6.401 10.329 ( -1.985 5.283 -3.038) 6.409 10.352 ( -2.021 3.936 -3.496) 5.639 10.577 ( -1.250 5.997 -3.043) 6.840 10.769 ( -1.287 -2.411 -3.451) 4.402 11.022 ( -3.105 4.628 1.757) 5.844 11.201 ( -0.630 -3.404 5.602) 6.586 11.451 ( 6.802 0.347 6.717) 9.565 11.521 ( 2.400 -3.414 -3.877) 5.696 12.355 ( 1.023 10.523 0.116) 10.573 12.718 ( -4.632 -4.104 -2.847) 6.812 12.942 ( -4.163 2.625 2.099) 5.351 13.048 ( -5.870 -2.866 1.050) 6.616 14.127 ( 14.979 18.074 -1.506) 23.522 14.776 ( 7.511 -3.883 -5.959) 10.344 14.896 ( 5.331 -0.114 8.304) 9.868 15.203 ( 0.567 -6.967 -0.595) 7.016 15.799 ( -1.576 -2.268 -0.106) 2.764 15.848 ( 3.137 -2.664 -3.506) 5.407 16.343 ( -3.249 2.754 -7.890) 8.966 16.598 ( 5.801 -8.349 -5.757) 11.683 17.045 ( 0.710 9.505 5.973) 11.249 17.441 ( 0.289 -8.204 8.055) 11.501 18.193 ( -7.062 24.273 1.786) 25.342 19.049 ( -5.816 -15.766 -2.785) 17.033 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 1.905 16.046 4.008) 16.649 2.032 ( 8.831 14.162 2.921) 16.943 2.329 ( -2.983 -3.981 -3.055) 5.838 2.428 ( 4.773 7.001 -6.687) 10.794 2.473 ( 1.881 -0.804 2.963) 3.600 2.602 ( -10.814 -1.117 -1.503) 10.975 2.699 ( -3.610 -2.760 -1.542) 4.798 2.898 ( -0.553 -9.538 -8.408) 12.727 2.964 ( -2.114 -0.262 0.805) 2.277 3.105 ( -3.451 -3.504 2.752) 5.635 3.249 ( -1.094 0.574 1.815) 2.196 3.493 ( -2.887 -8.919 -2.102) 9.607 4.317 ( 1.422 4.296 13.960) 14.676 4.522 ( -0.902 -2.342 15.037) 15.245 4.667 ( -3.479 5.551 -0.514) 6.571 4.819 ( -0.316 9.023 -1.089) 9.094 4.993 ( -5.286 -1.694 -3.130) 6.373 5.202 ( -2.548 1.964 1.240) 3.448 5.316 ( -7.973 -1.325 0.969) 8.140 5.472 ( -0.918 -7.590 -0.340) 7.653 6.125 ( 2.847 -0.563 -0.188) 2.908 6.261 ( 3.918 -3.995 -0.299) 5.603 6.687 ( -2.262 -2.732 -5.553) 6.589 6.827 ( -5.966 -7.289 -2.032) 9.636 7.269 ( -6.357 4.132 -2.530) 7.993 7.402 ( -3.368 -2.824 0.915) 4.489 7.604 ( -1.509 -4.220 -1.358) 4.683 7.630 ( 1.305 -3.594 -3.145) 4.951 7.917 ( 4.081 -0.618 2.842) 5.011 8.103 ( 6.592 -8.467 5.317) 11.976 8.712 ( 1.098 0.803 7.677) 7.797 8.732 ( 4.297 -0.511 2.036) 4.782 9.411 ( 4.390 4.287 3.053) 6.854 9.515 ( 3.996 -1.282 -3.976) 5.781 9.626 ( 1.594 1.414 -2.058) 2.963 9.804 ( 2.438 -4.670 -3.363) 6.250 10.267 ( -2.150 2.365 -1.920) 3.728 10.299 ( -0.406 2.505 -0.242) 2.549 10.522 ( -1.352 5.351 -1.142) 5.636 10.686 ( -2.699 -2.186 -4.411) 5.614 10.994 ( -1.852 5.684 -0.286) 5.985 11.212 ( -3.871 -3.699 2.583) 5.945 11.510 ( 2.129 2.442 -4.765) 5.762 11.651 ( 5.879 -2.372 6.670) 9.202 12.397 ( 3.682 9.059 1.392) 9.877 12.638 ( -1.660 -1.199 -0.418) 2.090 12.862 ( -7.974 1.078 2.387) 8.393 12.958 ( -6.369 -3.104 1.036) 7.160 14.397 ( 19.637 16.587 -3.304) 25.916 14.843 ( 7.707 -1.470 -5.353) 9.498 15.110 ( 9.145 -0.364 5.194) 10.523 15.193 ( -0.355 -3.781 -1.712) 4.166 15.766 ( 0.064 -0.900 -3.278) 3.400 15.891 ( 6.415 -5.046 -1.248) 8.257 16.238 ( 1.473 2.824 -5.658) 6.493 16.619 ( 5.819 -12.823 -6.846) 15.657 17.132 ( -0.497 12.422 8.229) 14.909 17.544 ( 1.804 -1.946 4.911) 5.582 18.067 ( -13.030 16.815 6.801) 22.333 18.864 ( -10.871 -16.365 -5.278) 20.343 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -8.615 9.642 1.969) 13.079 2.094 ( 1.053 5.799 -5.769) 8.247 2.207 ( -5.542 -1.768 -4.387) 7.286 2.308 ( -10.451 -1.799 -8.204) 13.407 2.417 ( -2.717 4.773 -0.049) 5.493 2.516 ( 5.733 0.109 -4.890) 7.536 2.732 ( 1.848 -5.126 1.713) 5.711 2.808 ( -0.091 -7.807 -7.188) 10.613 2.985 ( 0.756 2.331 2.697) 3.644 3.099 ( -2.150 1.654 3.201) 4.196 3.262 ( -1.800 -2.104 3.379) 4.369 3.406 ( -3.546 -6.324 -3.129) 7.897 4.464 ( 0.397 8.795 1.514) 8.933 4.576 ( -0.469 3.641 10.432) 11.059 4.713 ( -1.307 1.757 10.704) 10.925 4.823 ( -1.751 0.433 -0.420) 1.852 4.888 ( -4.040 2.084 3.393) 5.672 5.133 ( -5.614 0.455 1.661) 5.872 5.227 ( -6.185 -6.471 2.902) 9.411 5.430 ( -4.387 -11.436 -0.010) 12.249 6.168 ( 1.913 2.893 -1.806) 3.910 6.321 ( 4.526 -1.977 0.705) 4.989 6.692 ( 7.300 -4.244 -2.120) 8.706 6.744 ( -1.533 -7.909 -0.632) 8.081 7.156 ( -5.486 5.210 0.449) 7.579 7.358 ( -2.350 -3.113 -0.332) 3.915 7.558 ( -2.524 -4.407 -0.842) 5.147 7.592 ( -1.379 -3.134 -3.153) 4.654 8.008 ( 1.458 2.110 5.502) 6.070 8.238 ( 3.091 -7.760 3.525) 9.067 8.772 ( 0.387 2.918 3.143) 4.306 8.850 ( 3.945 -0.131 4.574) 6.042 9.464 ( 2.238 2.689 -6.046) 6.985 9.501 ( 3.075 -0.098 -8.069) 8.636 9.676 ( 4.568 3.377 2.252) 6.110 9.784 ( 0.496 0.518 -5.388) 5.436 10.248 ( 0.010 -2.040 2.638) 3.335 10.322 ( 0.587 -1.924 2.738) 3.397 10.522 ( 0.157 4.060 2.164) 4.603 10.628 ( 0.165 -1.321 0.497) 1.421 10.951 ( -1.252 5.176 -2.547) 5.903 11.133 ( -5.192 -1.685 -2.809) 6.139 11.481 ( 1.918 5.859 -5.878) 8.518 11.749 ( -0.347 -4.674 2.057) 5.119 12.508 ( 5.088 8.718 3.139) 10.571 12.650 ( 1.873 2.202 0.995) 3.058 12.760 ( -6.865 -0.072 2.147) 7.193 12.872 ( -5.799 -5.580 3.191) 8.657 14.666 ( 18.241 12.032 -5.451) 22.522 14.897 ( 6.050 -1.834 -5.393) 8.310 15.101 ( -2.837 3.897 -6.307) 7.938 15.308 ( 5.536 -0.919 4.693) 7.316 15.729 ( 2.192 1.485 -5.575) 6.172 16.048 ( 11.728 0.191 0.775) 11.755 16.306 ( 9.056 -4.236 3.074) 10.460 16.644 ( 4.551 -11.754 -4.125) 13.262 17.201 ( -2.493 15.459 8.082) 17.622 17.550 ( -0.594 11.881 -7.595) 14.114 17.973 ( -12.289 -2.185 15.943) 20.248 18.582 ( -14.428 -17.523 -7.232) 23.822 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -8.571 6.003 0.830) 10.497 1.924 ( -10.520 1.258 -5.722) 12.041 2.070 ( -0.118 -1.093 -6.358) 6.452 2.201 ( 0.044 -5.065 -3.465) 6.137 2.417 ( 1.246 4.500 1.205) 4.822 2.472 ( -2.183 -1.810 -6.892) 7.453 2.703 ( -3.826 -3.361 -3.833) 6.374 2.766 ( 0.269 -4.109 -1.401) 4.349 3.012 ( 0.002 6.554 0.430) 6.568 3.085 ( -1.900 2.744 0.684) 3.407 3.232 ( -4.165 -2.377 -1.238) 4.953 3.340 ( -1.458 -4.740 1.082) 5.076 4.485 ( 4.814 3.876 -1.335) 6.323 4.664 ( 1.783 -0.300 -0.809) 1.981 4.743 ( -3.339 2.427 1.952) 4.566 4.880 ( 1.410 1.673 14.890) 15.050 4.900 ( -3.527 4.347 4.886) 7.430 5.088 ( -3.147 -2.080 1.598) 4.097 5.167 ( -5.586 -8.979 4.423) 11.463 5.330 ( -7.245 -12.446 -0.023) 14.401 6.154 ( 0.329 3.080 -2.086) 3.734 6.421 ( 4.756 -4.277 1.280) 6.524 6.770 ( 4.715 -5.204 1.114) 7.111 6.831 ( 8.803 -3.978 -0.059) 9.661 7.102 ( -3.753 5.524 3.150) 7.384 7.314 ( -1.955 -2.935 -1.165) 3.714 7.503 ( -3.947 -0.455 0.215) 3.979 7.524 ( -1.863 -2.608 -3.019) 4.403 8.085 ( -0.931 2.339 7.209) 7.636 8.277 ( -0.023 -5.995 -0.903) 6.063 8.822 ( 2.108 5.563 3.529) 6.917 8.970 ( 3.889 0.286 5.738) 6.938 9.356 ( -0.914 5.033 -12.824) 13.807 9.461 ( 1.602 -1.774 -6.617) 7.035 9.670 ( -2.458 5.625 -5.976) 8.567 9.812 ( 5.150 -0.390 1.528) 5.386 10.290 ( -1.063 -2.955 3.538) 4.731 10.378 ( 1.402 -7.757 5.356) 9.530 10.581 ( 3.086 4.704 3.838) 6.810 10.700 ( 3.631 -1.402 4.069) 5.631 10.901 ( -1.491 4.913 -2.086) 5.541 11.001 ( -4.139 1.950 -5.637) 7.260 11.449 ( 2.055 5.088 -5.315) 7.639 11.704 ( -4.138 -4.946 -1.878) 6.717 12.532 ( -2.769 6.277 -0.923) 6.922 12.673 ( -4.396 -0.269 -1.160) 4.555 12.750 ( 5.469 3.188 3.803) 7.385 12.881 ( -0.915 -5.623 7.056) 9.068 14.853 ( 11.786 3.237 -7.817) 14.508 14.927 ( 5.872 -2.084 -4.402) 7.629 14.981 ( -3.970 8.230 -3.019) 9.623 15.370 ( -1.627 -5.497 -0.892) 5.802 15.781 ( 7.845 13.539 2.180) 15.799 16.246 ( 12.523 10.095 -2.104) 16.222 16.559 ( 10.913 -8.423 6.548) 15.262 16.668 ( 2.524 -8.863 -1.235) 9.298 17.232 ( -4.934 17.651 8.541) 20.220 17.396 ( -2.899 12.857 -10.138) 16.628 18.001 ( -5.916 -13.511 13.254) 19.830 18.243 ( -15.268 -19.455 -8.397) 26.117 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.031 3.298 2.917) 4.403 1.760 ( -3.565 2.120 -1.351) 4.362 1.962 ( -3.251 2.424 -6.701) 7.832 2.206 ( 2.852 -7.443 -1.108) 8.047 2.355 ( -2.499 -3.026 -2.473) 4.638 2.471 ( 0.027 -1.873 4.169) 4.570 2.579 ( -3.093 0.064 -5.176) 6.029 2.740 ( -1.377 -2.193 -0.828) 2.719 3.012 ( 0.776 6.446 0.249) 6.498 3.058 ( -2.118 2.782 -0.546) 3.539 3.150 ( -1.863 2.206 -1.397) 3.208 3.357 ( 0.321 -4.863 1.410) 5.074 4.568 ( 4.538 -0.270 -0.461) 4.570 4.632 ( -1.044 -2.489 -1.430) 3.054 4.795 ( 4.592 2.455 1.331) 5.375 4.875 ( -4.417 1.473 2.022) 5.076 4.992 ( -1.588 -0.604 2.235) 2.808 5.067 ( -2.305 -3.752 5.774) 7.262 5.153 ( 0.046 -4.195 0.430) 4.217 5.221 ( -4.504 -11.141 -0.180) 12.018 6.146 ( 0.367 3.095 -0.534) 3.162 6.487 ( 1.858 -8.602 0.515) 8.815 6.873 ( 3.891 -2.930 1.545) 5.110 6.943 ( 3.973 -5.146 -0.451) 6.517 7.092 ( -1.525 6.111 2.484) 6.771 7.273 ( -1.176 0.670 -1.207) 1.814 7.442 ( -2.625 3.057 0.483) 4.058 7.478 ( -0.693 -3.385 -1.572) 3.796 8.136 ( -1.204 0.578 4.837) 5.018 8.240 ( -0.376 -3.300 -3.178) 4.597 8.935 ( 3.460 7.180 7.092) 10.668 9.089 ( 2.284 3.772 2.468) 5.053 9.185 ( -2.947 6.712 -7.960) 10.821 9.392 ( -0.293 -3.798 -6.323) 7.381 9.591 ( -0.930 3.635 -1.790) 4.157 9.887 ( 2.382 -4.256 0.066) 4.878 10.295 ( -1.483 -1.307 2.073) 2.864 10.458 ( 1.125 -8.960 3.024) 9.524 10.678 ( 2.641 4.329 2.766) 5.777 10.792 ( 3.392 -1.219 0.465) 3.634 10.858 ( -2.264 5.089 0.574) 5.599 10.894 ( -1.971 4.319 -3.538) 5.921 11.436 ( 1.491 2.931 -2.186) 3.949 11.612 ( -2.963 -4.275 -1.700) 5.472 12.479 ( -1.640 4.922 -0.553) 5.217 12.602 ( -1.989 -1.237 -0.874) 2.500 12.851 ( 2.219 2.173 1.509) 3.453 12.945 ( 0.411 -3.836 3.262) 5.052 14.859 ( 1.768 4.714 -5.028) 7.115 14.918 ( -1.800 2.901 0.851) 3.518 15.035 ( 7.216 -1.566 -1.856) 7.613 15.286 ( -4.405 -7.894 -1.398) 9.147 15.962 ( 5.877 21.075 4.019) 22.245 16.394 ( 7.921 13.623 -2.744) 15.995 16.608 ( -2.914 9.126 -0.621) 9.600 16.780 ( 3.127 -11.152 2.272) 11.803 17.259 ( -4.322 13.648 10.555) 17.786 17.307 ( 4.967 3.306 -8.317) 10.236 17.932 ( -10.411 -22.696 -4.001) 25.289 18.047 ( -1.049 -16.023 3.366) 16.406 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 -13.938 0.000) 13.938 1.935 ( 0.000 13.938 0.000) 13.938 2.216 ( 0.000 -15.856 0.000) 15.856 2.216 ( 0.000 15.856 0.000) 15.856 2.811 ( 0.000 -2.604 0.000) 2.604 2.811 ( 0.000 2.603 0.000) 2.603 2.919 ( 0.000 -2.176 0.000) 2.176 2.919 ( 0.000 2.177 0.000) 2.177 3.056 ( 0.000 -9.089 0.000) 9.089 3.056 ( 0.000 9.089 0.000) 9.089 3.302 ( 0.000 -0.795 0.000) 0.795 3.302 ( 0.000 0.794 0.000) 0.794 4.144 ( 0.000 -3.027 0.000) 3.027 4.144 ( 0.000 3.027 0.000) 3.027 4.900 ( 0.000 -3.575 0.000) 3.575 4.900 ( 0.000 3.575 0.000) 3.575 5.218 ( 0.000 -0.597 0.000) 0.597 5.218 ( 0.000 0.598 0.000) 0.598 5.453 ( 0.000 -0.799 0.000) 0.799 5.453 ( 0.000 0.800 0.000) 0.800 6.091 ( 0.000 -2.212 0.000) 2.212 6.091 ( 0.000 2.212 0.000) 2.212 6.968 ( 0.000 -1.682 0.000) 1.682 6.968 ( 0.000 1.683 0.000) 1.683 7.514 ( 0.000 -1.506 0.000) 1.506 7.514 ( 0.000 1.506 0.000) 1.506 7.555 ( 0.000 -3.470 0.000) 3.470 7.555 ( 0.000 3.471 0.000) 3.471 7.691 ( 0.000 -8.430 0.000) 8.430 7.691 ( 0.000 8.430 0.000) 8.430 8.568 ( 0.000 -2.303 0.000) 2.303 8.568 ( 0.000 2.304 0.000) 2.304 9.391 ( 0.000 -4.442 0.000) 4.442 9.391 ( 0.000 4.443 0.000) 4.443 9.670 ( 0.000 -4.665 0.000) 4.665 9.670 ( 0.000 4.665 0.000) 4.665 10.447 ( 0.000 -0.914 0.000) 0.914 10.447 ( 0.000 0.915 0.000) 0.915 10.723 ( 0.000 -4.740 0.000) 4.740 10.723 ( 0.000 4.740 0.000) 4.740 11.095 ( 0.000 -2.663 0.000) 2.663 11.095 ( 0.000 2.663 0.000) 2.663 11.414 ( 0.000 -4.480 0.000) 4.480 11.415 ( 0.000 4.481 0.000) 4.481 12.597 ( 0.000 -11.188 0.000) 11.188 12.597 ( 0.000 11.188 0.000) 11.188 13.036 ( 0.000 -2.997 0.000) 2.997 13.036 ( 0.000 2.997 0.000) 2.997 14.408 ( 0.000 -18.715 0.000) 18.715 14.408 ( 0.000 18.715 0.000) 18.715 14.997 ( 0.000 -10.243 0.000) 10.243 14.997 ( 0.000 10.244 0.000) 10.244 15.808 ( 0.000 -1.731 0.000) 1.731 15.808 ( 0.000 1.731 0.000) 1.731 16.490 ( 0.000 -2.799 0.000) 2.799 16.490 ( 0.000 2.799 0.000) 2.799 17.180 ( 0.000 -9.195 0.000) 9.195 17.180 ( 0.000 9.196 0.000) 9.196 18.734 ( 0.000 -20.611 0.000) 20.611 18.734 ( 0.000 20.611 0.000) 20.611 ======================= Grid point 46 (26/170) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 8.632 -11.831 6.070) 15.854 2.055 ( 8.632 11.832 6.069) 15.853 2.222 ( 0.430 -13.166 0.401) 13.179 2.222 ( 0.429 13.166 0.402) 13.179 2.768 ( -5.017 -5.694 -2.561) 8.010 2.768 ( -5.016 5.695 -2.564) 8.010 2.821 ( -2.528 -6.778 -8.658) 11.283 2.821 ( -2.528 6.777 -8.656) 11.281 3.026 ( -3.575 -4.213 0.827) 5.587 3.026 ( -3.575 4.214 0.827) 5.587 3.330 ( 0.642 -6.141 1.826) 6.439 3.330 ( 0.642 6.141 1.826) 6.439 4.226 ( 1.273 -4.222 11.927) 12.716 4.226 ( 1.273 4.222 11.926) 12.715 4.886 ( -0.724 -4.578 -2.172) 5.118 4.886 ( -0.724 4.578 -2.172) 5.118 5.187 ( -3.541 -4.147 0.573) 5.483 5.187 ( -3.541 4.147 0.573) 5.483 5.426 ( -3.273 -0.497 -0.579) 3.361 5.426 ( -3.273 0.498 -0.579) 3.361 6.105 ( 2.689 -3.404 -0.789) 4.409 6.105 ( 2.689 3.405 -0.789) 4.410 6.863 ( -7.275 -3.185 -4.515) 9.136 6.863 ( -7.275 3.186 -4.515) 9.136 7.435 ( -4.904 -0.295 -0.420) 4.931 7.435 ( -4.904 0.295 -0.420) 4.931 7.599 ( 0.704 -1.217 -1.686) 2.195 7.599 ( 0.704 1.217 -1.686) 2.195 7.781 ( 7.816 -5.151 3.820) 10.110 7.781 ( 7.816 5.151 3.819) 10.110 8.618 ( 3.360 -1.664 3.221) 4.943 8.618 ( 3.360 1.664 3.221) 4.943 9.417 ( 2.292 -3.981 1.335) 4.783 9.417 ( 2.292 3.981 1.335) 4.784 9.673 ( 1.225 -4.560 -1.310) 4.900 9.673 ( 1.224 4.559 -1.311) 4.900 10.394 ( -2.441 -0.521 -4.110) 4.808 10.394 ( -2.441 0.521 -4.109) 4.808 10.691 ( -1.442 -4.738 -3.266) 5.933 10.691 ( -1.441 4.739 -3.266) 5.933 11.118 ( -1.909 -4.295 5.115) 6.946 11.118 ( -1.911 4.295 5.116) 6.948 11.471 ( 5.793 -1.489 0.764) 6.030 11.471 ( 5.793 1.490 0.764) 6.030 12.570 ( -1.774 -9.282 -0.860) 9.489 12.570 ( -1.774 9.282 -0.861) 9.489 12.997 ( -5.147 -2.416 1.112) 5.793 12.997 ( -5.147 2.416 1.111) 5.793 14.509 ( 12.366 -17.012 -1.841) 21.112 14.509 ( 12.366 17.012 -1.842) 21.112 15.031 ( 2.288 -8.739 2.303) 9.323 15.031 ( 2.287 8.740 2.303) 9.323 15.802 ( 1.250 -1.947 -2.638) 3.509 15.802 ( 1.251 1.947 -2.639) 3.510 16.436 ( -0.157 -6.330 -7.443) 9.772 16.436 ( -0.157 6.330 -7.444) 9.773 17.248 ( 0.840 -9.628 9.339) 13.440 17.248 ( 0.841 9.629 9.339) 13.440 18.669 ( -6.634 -20.433 -1.730) 21.553 18.669 ( -6.634 20.433 -1.731) 21.553 ======================= Grid point 48 (27/170) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.062 -8.462 -3.161) 9.034 2.174 ( -0.063 8.462 -3.161) 9.034 2.310 ( 3.454 -10.232 7.184) 12.971 2.310 ( 3.455 10.232 7.182) 12.970 2.575 ( -5.873 -6.064 -8.508) 11.985 2.575 ( -5.873 6.063 -8.506) 11.984 2.718 ( -2.115 -6.366 -4.859) 8.283 2.718 ( -2.114 6.366 -4.859) 8.283 3.002 ( -0.840 -4.265 3.010) 5.287 3.002 ( -0.840 4.265 3.010) 5.287 3.335 ( -1.239 -6.148 -0.095) 6.272 3.335 ( -1.239 6.148 -0.095) 6.273 4.427 ( 1.691 -5.619 18.000) 18.933 4.427 ( 1.691 5.620 18.000) 18.932 4.815 ( -3.444 -6.887 -4.023) 8.688 4.815 ( -3.442 6.888 -4.022) 8.687 5.133 ( -4.414 -9.589 1.706) 10.694 5.133 ( -4.414 9.590 1.706) 10.694 5.326 ( -7.156 -3.635 -1.451) 8.157 5.326 ( -7.157 3.636 -1.451) 8.157 6.173 ( 5.858 -4.343 -0.050) 7.292 6.173 ( 5.858 4.344 -0.050) 7.293 6.699 ( -4.973 -3.920 -4.425) 7.725 6.699 ( -4.973 3.920 -4.425) 7.725 7.348 ( -4.563 -3.138 -1.136) 5.653 7.348 ( -4.563 3.138 -1.136) 5.653 7.571 ( -0.711 -1.470 -2.084) 2.648 7.571 ( -0.711 1.470 -2.084) 2.648 7.958 ( 6.137 -4.709 5.441) 9.457 7.958 ( 6.137 4.709 5.440) 9.457 8.726 ( 3.848 -0.392 4.227) 5.730 8.726 ( 3.848 0.393 4.227) 5.730 9.482 ( 4.414 -2.220 -1.214) 5.088 9.482 ( 4.415 2.220 -1.213) 5.088 9.687 ( 2.832 -4.834 -1.230) 5.736 9.687 ( 2.832 4.834 -1.231) 5.736 10.312 ( -2.316 -1.227 -2.647) 3.725 10.312 ( -2.316 1.227 -2.647) 3.725 10.619 ( -2.491 -3.916 -2.394) 5.222 10.619 ( -2.491 3.917 -2.395) 5.223 11.118 ( -2.463 -5.390 0.939) 6.000 11.118 ( -2.464 5.391 0.939) 6.001 11.582 ( 4.903 -3.830 0.983) 6.299 11.582 ( 4.902 3.831 0.983) 6.299 12.559 ( 1.023 -6.019 1.512) 6.290 12.559 ( 1.023 6.020 1.512) 6.291 12.902 ( -7.731 -2.448 1.213) 8.199 12.902 ( -7.731 2.448 1.213) 8.199 14.713 ( 15.564 -11.661 -6.115) 20.387 14.713 ( 15.565 11.660 -6.116) 20.387 15.121 ( 4.006 -2.819 4.229) 6.471 15.121 ( 4.005 2.820 4.229) 6.471 15.798 ( 3.584 -3.702 -4.045) 6.551 15.798 ( 3.584 3.702 -4.046) 6.551 16.370 ( 2.468 -9.706 -5.764) 11.555 16.370 ( 2.469 9.707 -5.764) 11.556 17.381 ( 0.698 -10.753 10.877) 15.311 17.381 ( 0.699 10.754 10.876) 15.311 18.482 ( -12.588 -19.793 -3.024) 23.650 18.482 ( -12.587 19.793 -3.025) 23.651 ======================= Grid point 50 (28/170) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -8.539 -8.206 -2.435) 12.091 2.075 ( -8.541 8.207 -2.436) 12.093 2.214 ( -8.077 -4.778 -5.900) 11.085 2.214 ( -8.075 4.778 -5.902) 11.085 2.533 ( 1.440 -1.631 -3.309) 3.960 2.533 ( 1.443 1.631 -3.309) 3.961 2.674 ( 3.328 -2.625 -2.941) 5.159 2.674 ( 3.327 2.625 -2.940) 5.159 3.054 ( 0.930 -4.103 4.506) 6.165 3.054 ( 0.930 4.103 4.506) 6.165 3.295 ( -2.127 -4.160 -1.707) 4.974 3.295 ( -2.127 4.161 -1.707) 4.975 4.622 ( -1.077 -1.757 7.330) 7.614 4.622 ( -1.076 1.759 7.330) 7.615 4.740 ( -1.501 -4.451 6.527) 8.042 4.740 ( -1.501 4.450 6.529) 8.042 5.081 ( -4.787 -8.519 2.769) 10.156 5.081 ( -4.787 8.520 2.769) 10.157 5.179 ( -8.007 -6.946 -1.274) 10.676 5.179 ( -8.007 6.946 -1.274) 10.676 6.258 ( 3.317 -4.536 -0.446) 5.637 6.258 ( 3.317 4.537 -0.446) 5.637 6.645 ( 3.711 -1.058 -1.708) 4.220 6.645 ( 3.711 1.058 -1.708) 4.220 7.266 ( -3.988 -5.275 -0.384) 6.624 7.266 ( -3.988 5.275 -0.384) 6.624 7.539 ( -0.987 -2.176 -1.029) 2.601 7.539 ( -0.987 2.177 -1.029) 2.602 8.092 ( 2.421 -5.733 5.684) 8.428 8.092 ( 2.422 5.734 5.683) 8.428 8.827 ( 3.381 -2.038 3.222) 5.096 8.827 ( 3.381 2.038 3.222) 5.096 9.496 ( 3.042 -0.510 -7.659) 8.257 9.496 ( 3.042 0.510 -7.658) 8.256 9.746 ( 4.140 -3.317 -0.072) 5.305 9.746 ( 4.141 3.317 -0.071) 5.306 10.262 ( -2.318 -2.753 0.701) 3.666 10.262 ( -2.318 2.753 0.701) 3.667 10.590 ( -0.103 -2.411 2.189) 3.258 10.590 ( -0.102 2.412 2.189) 3.259 11.065 ( -1.938 -4.713 -3.315) 6.079 11.065 ( -1.938 4.713 -3.315) 6.080 11.624 ( 0.873 -6.880 -2.060) 7.235 11.624 ( 0.872 6.883 -2.059) 7.237 12.640 ( 4.038 -3.554 3.578) 6.460 12.640 ( 4.038 3.555 3.579) 6.462 12.783 ( -7.717 -2.908 1.700) 8.420 12.783 ( -7.718 2.909 1.699) 8.421 14.841 ( 10.253 -4.446 -8.546) 14.069 14.841 ( 10.253 4.445 -8.547) 14.069 15.218 ( 2.777 -6.811 -0.262) 7.361 15.218 ( 2.778 6.812 -0.262) 7.362 15.884 ( 10.153 -11.498 1.821) 15.447 15.884 ( 10.154 11.498 1.821) 15.447 16.400 ( 6.233 -10.271 -2.294) 12.231 16.400 ( 6.234 10.272 -2.294) 12.233 17.500 ( 0.479 -11.896 8.031) 14.361 17.500 ( 0.480 11.896 8.030) 14.360 18.196 ( -17.219 -18.160 -3.309) 25.243 18.196 ( -17.218 18.161 -3.310) 25.244 ======================= Grid point 52 (29/170) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -11.046 -6.681 -0.645) 12.925 1.867 ( -11.045 6.681 -0.646) 12.925 2.088 ( -0.173 -4.207 -5.916) 7.261 2.088 ( -0.173 4.206 -5.916) 7.261 2.472 ( -2.268 -0.992 -4.530) 5.163 2.472 ( -2.269 0.992 -4.529) 5.162 2.687 ( 0.066 -2.724 -1.924) 3.336 2.687 ( 0.066 2.724 -1.925) 3.336 3.106 ( 0.707 -2.052 1.117) 2.441 3.106 ( 0.708 2.052 1.117) 2.441 3.240 ( -1.914 -3.873 -0.794) 4.392 3.240 ( -1.914 3.873 -0.795) 4.393 4.590 ( -0.289 -5.287 -2.578) 5.889 4.590 ( -0.287 5.287 -2.578) 5.889 4.872 ( -0.508 -5.775 10.264) 11.788 4.872 ( -0.506 5.774 10.266) 11.790 5.033 ( -5.895 -1.463 1.466) 6.248 5.033 ( -5.895 1.465 1.467) 6.249 5.069 ( -3.907 -9.922 3.367) 11.183 5.069 ( -3.907 9.923 3.367) 11.183 6.273 ( 0.717 -7.785 -1.034) 7.886 6.273 ( 0.717 7.785 -1.034) 7.886 6.756 ( 8.209 -2.484 0.671) 8.602 6.756 ( 8.209 2.484 0.671) 8.602 7.215 ( -2.754 -5.375 1.480) 6.218 7.215 ( -2.753 5.376 1.480) 6.218 7.511 ( -1.292 -1.448 -0.868) 2.126 7.511 ( -1.292 1.449 -0.869) 2.127 8.161 ( -0.629 -4.731 3.908) 6.168 8.161 ( -0.629 4.731 3.907) 6.168 8.929 ( 4.289 -4.026 4.768) 7.572 8.929 ( 4.289 4.026 4.768) 7.572 9.422 ( 0.712 -1.965 -10.431) 10.638 9.422 ( 0.712 1.965 -10.430) 10.637 9.774 ( 1.105 -3.508 -3.259) 4.914 9.774 ( 1.105 3.508 -3.259) 4.914 10.266 ( -0.938 -1.752 5.066) 5.442 10.266 ( -0.938 1.753 5.067) 5.443 10.660 ( 3.058 -2.707 4.481) 6.063 10.660 ( 3.058 2.708 4.480) 6.063 10.992 ( -1.433 -2.807 -4.242) 5.285 10.992 ( -1.433 2.808 -4.243) 5.286 11.580 ( -1.328 -6.548 -4.042) 7.809 11.580 ( -1.328 6.550 -4.042) 7.811 12.634 ( -4.866 -3.401 -1.385) 6.097 12.634 ( -4.867 3.402 -1.385) 6.098 12.801 ( 2.701 -2.324 5.973) 6.955 12.801 ( 2.700 2.325 5.973) 6.955 14.892 ( 7.163 -1.442 -6.641) 9.874 14.892 ( 7.163 1.442 -6.642) 9.874 15.187 ( -2.493 -10.261 -3.667) 11.178 15.187 ( -2.493 10.262 -3.668) 11.179 16.161 ( 14.595 -19.321 7.464) 25.338 16.161 ( 14.596 19.321 7.464) 25.338 16.501 ( 8.093 -8.925 -1.536) 12.145 16.501 ( 8.093 8.927 -1.535) 12.147 17.566 ( 0.328 -9.468 1.305) 9.563 17.566 ( 0.327 9.466 1.303) 9.560 17.864 ( -18.818 -11.852 -0.511) 22.245 17.864 ( -18.818 11.855 -0.513) 22.247 ======================= Grid point 54 (30/170) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -3.490 -3.008 0.969) 4.708 1.750 ( -3.488 3.008 0.969) 4.707 2.050 ( 1.546 -6.474 -3.516) 7.528 2.050 ( 1.546 6.474 -3.515) 7.527 2.383 ( -3.144 -4.669 -1.311) 5.779 2.383 ( -3.143 4.669 -1.310) 5.779 2.652 ( -0.842 -5.168 -1.366) 5.412 2.652 ( -0.842 5.169 -1.367) 5.413 3.096 ( -0.795 -0.240 -0.857) 1.193 3.096 ( -0.795 0.239 -0.856) 1.193 3.234 ( 0.304 -6.161 0.612) 6.199 3.234 ( 0.305 6.163 0.611) 6.200 4.581 ( 1.041 -1.772 -1.090) 2.326 4.581 ( 1.041 1.772 -1.091) 2.327 4.922 ( -0.879 -7.725 2.716) 8.236 4.922 ( -0.877 7.725 2.716) 8.235 4.957 ( -2.929 -5.157 -0.218) 5.935 4.957 ( -2.928 5.158 -0.218) 5.936 5.086 ( -0.834 -1.516 3.301) 3.727 5.086 ( -0.834 1.518 3.301) 3.728 6.279 ( 0.581 -9.196 -0.138) 9.215 6.279 ( 0.581 9.196 -0.138) 9.215 6.868 ( 3.582 -1.720 0.246) 3.981 6.868 ( 3.582 1.719 0.246) 3.981 7.209 ( -0.570 -4.953 1.632) 5.246 7.209 ( -0.569 4.953 1.632) 5.246 7.478 ( -1.031 -0.390 -0.842) 1.387 7.478 ( -1.031 0.392 -0.842) 1.388 8.172 ( -0.858 -2.709 1.053) 3.030 8.172 ( -0.858 2.709 1.052) 3.030 9.079 ( 4.152 -4.929 7.943) 10.229 9.079 ( 4.152 4.931 7.942) 10.229 9.292 ( -1.903 -4.426 -10.013) 11.112 9.292 ( -1.904 4.426 -10.013) 11.112 9.739 ( -0.452 -8.648 -2.013) 8.890 9.739 ( -0.452 8.647 -2.013) 8.890 10.317 ( 0.176 -3.785 3.126) 4.912 10.317 ( 0.176 3.786 3.126) 4.913 10.753 ( 2.386 -2.650 2.289) 4.238 10.753 ( 2.387 2.652 2.289) 4.238 10.932 ( -1.118 -1.120 -2.005) 2.554 10.932 ( -1.118 1.122 -2.006) 2.556 11.518 ( -0.920 -4.460 -2.247) 5.079 11.518 ( -0.920 4.463 -2.247) 5.081 12.558 ( -2.205 -2.825 -0.635) 3.639 12.558 ( -2.206 2.825 -0.635) 3.640 12.888 ( 1.338 -1.858 2.328) 3.265 12.888 ( 1.337 1.858 2.328) 3.265 14.938 ( 4.428 -2.381 -2.742) 5.727 14.938 ( 4.428 2.381 -2.742) 5.727 15.100 ( -3.310 -8.242 -1.330) 8.981 15.100 ( -3.310 8.244 -1.331) 8.983 16.419 ( 5.367 -20.180 4.118) 21.284 16.419 ( 5.368 20.182 4.120) 21.286 16.633 ( 8.124 -6.888 -0.060) 10.651 16.633 ( 8.123 6.888 -0.061) 10.651 17.468 ( -6.962 -14.211 -5.010) 16.598 17.468 ( -6.961 14.210 -5.010) 16.597 17.688 ( -4.436 -16.040 3.683) 17.044 17.688 ( -4.435 16.042 3.684) 17.046 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -24.628 0.000 22.876) 33.613 0.615 ( -4.042 0.000 29.016) 29.296 1.072 ( 10.717 0.000 47.597) 48.788 2.225 ( 9.420 0.000 0.877) 9.461 2.493 ( 7.672 0.000 -11.723) 14.010 2.633 ( 0.827 0.000 -11.579) 11.609 2.890 ( -1.910 0.000 4.207) 4.620 3.136 ( -0.788 0.000 -3.297) 3.390 3.246 ( 1.861 0.000 -3.827) 4.255 3.456 ( -0.595 0.000 3.260) 3.314 3.529 ( -0.395 0.000 -5.308) 5.323 4.128 ( -6.296 0.000 7.008) 9.421 4.164 ( -1.233 0.000 -9.244) 9.325 4.376 ( -2.233 0.000 1.941) 2.958 4.587 ( 1.606 0.000 3.532) 3.879 4.646 ( 0.443 0.000 6.639) 6.654 4.709 ( 1.928 0.000 12.105) 12.258 5.188 ( 0.364 0.000 -1.533) 1.575 5.512 ( -1.049 0.000 0.527) 1.174 5.858 ( 1.524 0.000 -3.595) 3.905 6.465 ( -1.862 0.000 -1.902) 2.662 6.709 ( 4.942 0.000 -6.908) 8.493 6.893 ( 1.119 0.000 -2.214) 2.481 7.233 ( -11.500 0.000 -5.685) 12.828 7.271 ( -5.652 0.000 -8.456) 10.171 7.553 ( 13.817 0.000 -4.590) 14.559 7.580 ( 3.611 0.000 3.996) 5.386 7.620 ( -4.291 0.000 -7.117) 8.311 7.944 ( 1.491 0.000 6.931) 7.089 8.389 ( -0.823 0.000 -0.270) 0.867 8.746 ( 2.595 0.000 5.700) 6.263 8.827 ( 0.492 0.000 22.092) 22.097 9.095 ( 2.109 0.000 1.563) 2.625 9.583 ( 0.683 0.000 -1.553) 1.697 9.598 ( -5.488 0.000 -2.534) 6.045 9.927 ( -0.390 0.000 -11.656) 11.663 9.945 ( 4.563 0.000 3.850) 5.970 10.106 ( -3.218 0.000 -5.064) 6.000 10.274 ( 0.988 0.000 -3.627) 3.760 10.594 ( -1.450 0.000 -2.853) 3.201 11.015 ( 1.648 0.000 0.566) 1.742 11.314 ( -0.108 0.000 15.034) 15.034 11.652 ( 2.491 0.000 9.172) 9.504 11.780 ( -7.626 0.000 -5.617) 9.471 11.906 ( 6.194 0.000 -1.906) 6.480 12.635 ( 2.571 0.000 -6.477) 6.969 12.813 ( -8.373 0.000 2.466) 8.729 13.274 ( 14.041 0.000 -6.004) 15.270 13.635 ( -19.014 0.000 9.701) 21.346 14.629 ( 3.176 0.000 9.909) 10.406 15.132 ( 6.759 0.000 -10.190) 12.228 15.644 ( 4.230 0.000 2.521) 4.924 15.797 ( -6.341 0.000 -1.233) 6.459 16.027 ( -0.772 0.000 5.378) 5.433 16.396 ( -1.992 0.000 -24.141) 24.223 16.451 ( -3.659 0.000 0.113) 3.661 16.688 ( 3.906 0.000 -1.536) 4.197 16.765 ( 1.773 0.000 -3.398) 3.833 18.116 ( -0.643 0.000 21.740) 21.749 19.562 ( 0.352 0.000 -6.820) 6.830 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 15.686 0.000 10.758) 19.021 0.981 ( 8.837 0.000 25.049) 26.562 1.781 ( 15.525 0.000 33.525) 36.945 2.358 ( 8.603 0.000 -14.051) 16.476 2.502 ( 1.617 0.000 -15.129) 15.215 2.521 ( 2.770 0.000 7.181) 7.697 2.902 ( -3.275 0.000 7.168) 7.880 3.045 ( -4.050 0.000 -5.046) 6.471 3.197 ( -3.485 0.000 -3.727) 5.102 3.335 ( -8.740 0.000 -5.035) 10.087 3.509 ( -1.754 0.000 3.480) 3.897 4.018 ( -3.313 0.000 -9.753) 10.301 4.132 ( -1.156 0.000 3.691) 3.867 4.383 ( 2.785 0.000 -1.250) 3.053 4.666 ( -0.111 0.000 5.412) 5.413 4.725 ( 0.447 0.000 9.810) 9.820 4.869 ( 0.840 0.000 10.867) 10.899 5.188 ( 1.706 0.000 -1.607) 2.343 5.432 ( -8.376 0.000 0.945) 8.429 5.790 ( -4.332 0.000 -3.660) 5.671 6.393 ( -2.530 0.000 -5.113) 5.705 6.640 ( -2.476 0.000 -7.667) 8.056 6.860 ( -2.170 0.000 -1.459) 2.615 7.059 ( -3.105 0.000 -2.340) 3.888 7.151 ( 1.638 0.000 -3.686) 4.034 7.512 ( -3.361 0.000 -3.690) 4.991 7.666 ( 4.465 0.000 -1.006) 4.577 7.736 ( 14.275 0.000 -5.397) 15.261 8.079 ( 3.249 0.000 9.111) 9.673 8.370 ( 0.852 0.000 -3.226) 3.336 8.863 ( 0.504 0.000 8.685) 8.699 9.034 ( -2.640 0.000 13.903) 14.151 9.168 ( 3.228 0.000 3.432) 4.711 9.460 ( -6.431 0.000 -1.506) 6.605 9.580 ( -0.027 0.000 -0.417) 0.418 9.725 ( -4.935 0.000 -18.249) 18.904 10.048 ( 0.939 0.000 2.647) 2.808 10.075 ( 4.624 0.000 3.595) 5.857 10.242 ( 0.442 0.000 -3.794) 3.820 10.531 ( -0.953 0.000 -3.006) 3.153 11.120 ( 3.916 0.000 10.419) 11.131 11.421 ( -1.137 0.000 8.693) 8.767 11.508 ( -11.797 0.000 -12.141) 16.928 11.812 ( 1.471 0.000 11.719) 11.811 11.953 ( 0.408 0.000 -0.805) 0.903 12.563 ( -1.539 0.000 -8.028) 8.174 12.717 ( -3.477 0.000 -1.693) 3.867 13.417 ( 6.614 0.000 -7.077) 9.686 13.565 ( -1.176 0.000 14.587) 14.635 14.822 ( 3.924 0.000 11.865) 12.497 15.091 ( 1.627 0.000 -8.830) 8.979 15.638 ( -5.023 0.000 -9.563) 10.802 15.754 ( 4.375 0.000 4.646) 6.382 16.044 ( -0.281 0.000 -7.052) 7.058 16.145 ( -3.619 0.000 -3.763) 5.221 16.402 ( -2.200 0.000 -0.977) 2.407 16.766 ( 3.068 0.000 -2.259) 3.810 16.792 ( 12.485 0.000 -6.902) 14.266 18.349 ( -2.211 0.000 23.174) 23.279 19.441 ( -3.299 0.000 -9.889) 10.425 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 22.285 0.000 2.152) 22.389 1.425 ( 13.135 0.000 20.550) 24.390 2.169 ( -3.151 0.000 4.100) 5.171 2.239 ( -3.758 0.000 -10.051) 10.730 2.371 ( 8.331 0.000 -14.287) 16.539 2.598 ( -1.451 0.000 0.878) 1.696 2.903 ( -5.653 0.000 -4.262) 7.080 2.991 ( 0.094 0.000 10.312) 10.312 3.047 ( -8.608 0.000 1.128) 8.682 3.193 ( -4.305 0.000 -3.198) 5.363 3.523 ( -3.252 0.000 6.724) 7.469 3.824 ( -6.979 0.000 -10.219) 12.375 4.177 ( 3.421 0.000 2.445) 4.205 4.462 ( 9.325 0.000 -1.676) 9.474 4.733 ( -1.522 0.000 11.243) 11.346 4.879 ( 4.236 0.000 9.286) 10.207 4.949 ( -2.978 0.000 6.041) 6.735 5.184 ( -1.299 0.000 -2.144) 2.506 5.322 ( -3.724 0.000 0.550) 3.764 5.649 ( -7.373 0.000 -3.525) 8.173 6.274 ( -2.707 0.000 -6.950) 7.458 6.529 ( -1.120 0.000 -4.848) 4.976 6.821 ( -1.640 0.000 1.565) 2.267 7.047 ( 0.759 0.000 0.530) 0.926 7.201 ( 4.976 0.000 0.350) 4.988 7.389 ( -7.346 0.000 -2.333) 7.707 7.714 ( 3.199 0.000 -0.526) 3.242 7.894 ( 11.455 0.000 -4.676) 12.373 8.223 ( 2.548 0.000 6.513) 6.994 8.335 ( 1.797 0.000 -7.373) 7.589 8.919 ( -6.776 0.000 9.562) 11.719 9.039 ( -7.712 0.000 3.210) 8.353 9.258 ( 2.993 0.000 2.194) 3.711 9.365 ( -11.540 0.000 -18.639) 21.922 9.409 ( 0.823 0.000 2.329) 2.470 9.590 ( 1.802 0.000 1.201) 2.166 10.151 ( 1.807 0.000 0.682) 1.932 10.158 ( 7.408 0.000 -2.203) 7.729 10.256 ( 2.031 0.000 5.959) 6.296 10.548 ( 4.495 0.000 2.328) 5.062 11.145 ( -12.049 0.000 -16.206) 20.194 11.247 ( -5.558 0.000 9.581) 11.076 11.582 ( 9.623 0.000 9.606) 13.597 11.901 ( -5.666 0.000 -0.352) 5.677 11.954 ( 0.684 0.000 11.626) 11.646 12.428 ( -2.512 0.000 -8.986) 9.331 12.646 ( -1.010 0.000 -5.035) 5.135 13.394 ( -2.577 0.000 0.872) 2.721 13.834 ( 13.716 0.000 9.599) 16.741 14.993 ( 1.378 0.000 10.284) 10.375 15.009 ( -1.730 0.000 -4.736) 5.042 15.447 ( 1.043 0.000 -16.864) 16.896 15.846 ( -0.623 0.000 3.104) 3.165 15.886 ( -1.632 0.000 -11.950) 12.061 16.152 ( -3.908 0.000 8.632) 9.476 16.360 ( -1.290 0.000 -1.519) 1.993 16.857 ( 9.421 0.000 2.014) 9.633 16.922 ( 14.088 0.000 -9.437) 16.956 18.552 ( -3.727 0.000 21.099) 21.426 19.242 ( -5.423 0.000 -12.001) 13.169 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 11.843 0.000 -4.559) 12.690 1.858 ( 12.860 0.000 15.740) 20.326 1.940 ( -7.495 0.000 -8.891) 11.629 2.055 ( -7.504 0.000 -3.062) 8.105 2.412 ( 11.404 0.000 -13.704) 17.828 2.537 ( -0.891 0.000 -6.403) 6.464 2.777 ( -6.744 0.000 1.670) 6.947 2.940 ( -10.557 0.000 3.849) 11.237 3.060 ( -4.439 0.000 6.508) 7.878 3.065 ( -5.846 0.000 -4.713) 7.509 3.556 ( -3.721 0.000 8.937) 9.681 3.557 ( -10.889 0.000 -10.673) 15.248 4.323 ( 8.895 0.000 4.524) 9.980 4.633 ( 10.031 0.000 0.908) 10.072 4.884 ( 4.149 0.000 10.632) 11.413 4.944 ( -1.993 0.000 3.139) 3.718 5.058 ( 4.095 0.000 9.710) 10.538 5.080 ( -6.041 0.000 -4.102) 7.302 5.328 ( 6.148 0.000 -4.839) 7.824 5.477 ( -8.123 0.000 -4.030) 9.068 6.170 ( -1.890 0.000 -4.537) 4.915 6.493 ( 0.080 0.000 -1.064) 1.067 6.848 ( -0.805 0.000 5.943) 5.997 7.035 ( -2.140 0.000 -1.972) 2.910 7.178 ( -5.402 0.000 -8.132) 9.762 7.337 ( 0.318 0.000 7.654) 7.661 7.792 ( 4.857 0.000 3.606) 6.050 8.010 ( 8.336 0.000 -3.148) 8.911 8.259 ( 1.413 0.000 -10.536) 10.630 8.289 ( -1.148 0.000 2.822) 3.047 8.837 ( -16.595 0.000 -4.564) 17.212 8.869 ( -10.956 0.000 8.098) 13.624 9.040 ( -4.611 0.000 -10.205) 11.198 9.306 ( 1.858 0.000 0.342) 1.889 9.520 ( 6.279 0.000 4.580) 7.772 9.664 ( 3.471 0.000 2.746) 4.426 10.193 ( 2.811 0.000 1.859) 3.371 10.223 ( 8.910 0.000 -7.788) 11.834 10.400 ( 2.231 0.000 9.589) 9.845 10.710 ( 5.419 0.000 7.320) 9.108 10.776 ( -6.916 0.000 -17.658) 18.964 11.201 ( -7.455 0.000 4.036) 8.478 11.774 ( -8.490 0.000 -0.593) 8.511 11.797 ( 1.472 0.000 6.725) 6.885 12.171 ( 9.088 0.000 13.973) 16.668 12.286 ( -0.849 0.000 -11.242) 11.274 12.574 ( -1.220 0.000 -3.559) 3.762 13.351 ( -3.636 0.000 -0.141) 3.639 14.196 ( 15.996 0.000 10.208) 18.976 14.934 ( -3.118 0.000 -1.839) 3.620 15.106 ( -0.885 0.000 9.722) 9.762 15.326 ( 7.136 0.000 -15.481) 17.046 15.743 ( -1.992 0.000 -7.788) 8.038 15.776 ( -8.818 0.000 -0.720) 8.847 16.174 ( -5.125 0.000 8.174) 9.648 16.317 ( -1.195 0.000 -2.577) 2.841 17.036 ( 12.898 0.000 -10.006) 16.324 17.115 ( 14.434 0.000 6.182) 15.702 18.691 ( -5.300 0.000 16.454) 17.287 19.012 ( -5.097 0.000 -12.492) 13.492 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 2.950 0.000 -1.225) 3.194 1.854 ( 2.277 0.000 -5.771) 6.204 1.855 ( -9.884 0.000 0.990) 9.933 2.264 ( 12.905 0.000 7.724) 15.040 2.448 ( 10.728 0.000 -11.825) 15.966 2.463 ( 2.573 0.000 -5.548) 6.116 2.729 ( -4.493 0.000 4.863) 6.621 2.790 ( -10.168 0.000 3.164) 10.649 2.921 ( -4.242 0.000 -5.000) 6.557 3.014 ( -7.031 0.000 5.537) 8.949 3.232 ( -13.521 0.000 -10.602) 17.182 3.586 ( -5.076 0.000 8.475) 9.879 4.527 ( 9.720 0.000 2.521) 10.041 4.756 ( 1.951 0.000 3.812) 4.282 4.883 ( -4.581 0.000 -8.115) 9.319 5.027 ( 4.931 0.000 -0.569) 4.964 5.056 ( 5.466 0.000 3.780) 6.646 5.192 ( -0.992 0.000 4.041) 4.161 5.307 ( -5.083 0.000 -3.637) 6.250 5.397 ( 9.797 0.000 -6.819) 11.936 6.115 ( -1.437 0.000 -0.039) 1.437 6.487 ( -1.645 0.000 1.684) 2.355 6.878 ( -4.266 0.000 3.106) 5.277 6.967 ( -1.472 0.000 -0.377) 1.520 6.997 ( -6.173 0.000 -4.430) 7.598 7.430 ( 2.492 0.000 3.043) 3.933 7.947 ( 5.950 0.000 6.347) 8.699 8.115 ( 6.090 0.000 1.072) 6.183 8.162 ( 2.130 0.000 -10.944) 11.149 8.258 ( -4.092 0.000 0.245) 4.099 8.513 ( -13.776 0.000 -3.774) 14.284 8.742 ( -10.290 0.000 1.581) 10.411 8.933 ( -1.064 0.000 -2.282) 2.518 9.361 ( 1.282 0.000 4.990) 5.152 9.669 ( 5.575 0.000 2.517) 6.117 9.737 ( 1.975 0.000 1.545) 2.507 10.275 ( 8.061 0.000 -8.919) 12.022 10.283 ( 2.774 0.000 3.170) 4.212 10.473 ( -4.715 0.000 -11.875) 12.777 10.530 ( 1.229 0.000 8.643) 8.730 10.922 ( 6.760 0.000 6.025) 9.056 11.124 ( -5.311 0.000 1.759) 5.595 11.627 ( -7.023 0.000 -2.046) 7.315 11.818 ( -3.422 0.000 2.390) 4.173 12.157 ( 1.532 0.000 -11.324) 11.427 12.470 ( 7.827 0.000 9.443) 12.266 12.547 ( -0.514 0.000 1.978) 2.044 13.266 ( -4.073 0.000 -3.041) 5.083 14.564 ( 13.996 0.000 9.631) 16.989 14.859 ( -2.292 0.000 -3.209) 3.943 15.195 ( -1.842 0.000 10.344) 10.507 15.341 ( 9.521 0.000 -7.106) 11.881 15.571 ( -13.070 0.000 -2.175) 13.250 15.657 ( -0.504 0.000 -2.954) 2.996 16.166 ( -5.940 0.000 6.656) 8.921 16.270 ( -0.434 0.000 -2.788) 2.822 17.124 ( 11.019 0.000 -9.057) 14.264 17.394 ( 10.072 0.000 4.286) 10.946 18.740 ( -7.114 0.000 10.280) 12.502 18.822 ( -1.304 0.000 -10.262) 10.345 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.155 0.000 13.194) 14.559 1.731 ( -6.993 0.000 2.370) 7.384 1.814 ( 3.647 0.000 -3.340) 4.945 2.375 ( 8.639 0.000 -9.738) 13.018 2.512 ( 10.849 0.000 -7.956) 13.454 2.571 ( -0.358 0.000 5.108) 5.120 2.665 ( -7.863 0.000 -1.987) 8.110 2.670 ( -7.909 0.000 1.851) 8.123 2.865 ( 2.232 0.000 -0.178) 2.239 2.893 ( -8.570 0.000 -6.830) 10.959 3.096 ( 4.691 0.000 10.954) 11.917 3.568 ( -6.853 0.000 5.809) 8.984 4.648 ( 3.706 0.000 -4.370) 5.729 4.724 ( -2.880 0.000 -7.745) 8.263 4.820 ( 1.963 0.000 1.550) 2.501 5.075 ( 3.453 0.000 -4.112) 5.369 5.080 ( -5.727 0.000 -4.635) 7.368 5.132 ( 1.189 0.000 -0.426) 1.263 5.238 ( -1.938 0.000 -5.246) 5.593 5.463 ( 6.897 0.000 -7.901) 10.488 6.133 ( 0.127 0.000 5.576) 5.578 6.473 ( -2.766 0.000 2.434) 3.685 6.818 ( -1.183 0.000 -1.404) 1.836 6.909 ( -0.751 0.000 -0.537) 0.924 6.969 ( -2.068 0.000 3.189) 3.801 7.467 ( 0.829 0.000 -2.421) 2.559 8.060 ( -2.138 0.000 2.575) 3.347 8.092 ( 3.086 0.000 -7.509) 8.118 8.202 ( -0.776 0.000 1.157) 1.393 8.241 ( 4.036 0.000 4.091) 5.747 8.366 ( -1.692 0.000 3.069) 3.505 8.608 ( -4.908 0.000 -1.187) 5.050 8.946 ( 1.734 0.000 3.419) 3.833 9.433 ( -1.762 0.000 6.919) 7.139 9.728 ( 0.305 0.000 -1.674) 1.702 9.758 ( -0.339 0.000 -0.208) 0.398 10.221 ( -0.984 0.000 -8.860) 8.915 10.273 ( 4.721 0.000 -10.132) 11.178 10.492 ( 5.180 0.000 7.002) 8.710 10.631 ( -1.026 0.000 8.411) 8.474 11.029 ( -0.707 0.000 3.010) 3.092 11.076 ( -2.222 0.000 0.824) 2.370 11.512 ( -2.427 0.000 -3.577) 4.322 11.768 ( -3.182 0.000 -0.918) 3.312 12.124 ( 6.819 0.000 -5.603) 8.826 12.562 ( -3.689 0.000 -1.396) 3.945 12.603 ( 0.707 0.000 7.290) 7.324 13.181 ( -0.471 0.000 -3.664) 3.694 14.801 ( 0.443 0.000 -3.553) 3.580 14.819 ( 2.972 0.000 6.744) 7.370 15.243 ( -6.571 0.000 3.037) 7.239 15.384 ( -4.482 0.000 6.031) 7.514 15.438 ( 7.145 0.000 -1.738) 7.354 15.679 ( 2.690 0.000 3.405) 4.340 16.134 ( -5.832 0.000 5.652) 8.121 16.251 ( 1.316 0.000 -1.679) 2.133 17.203 ( 9.681 0.000 -6.923) 11.901 17.490 ( -0.236 0.000 -2.732) 2.743 18.683 ( -9.258 0.000 3.535) 9.910 18.770 ( 5.617 0.000 -4.529) 7.215 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -3.498 0.000 11.565) 12.083 1.692 ( 0.553 0.000 0.697) 0.889 2.073 ( 14.895 0.000 10.535) 18.244 2.304 ( -20.265 0.000 -6.028) 21.142 2.456 ( 11.527 0.000 -8.242) 14.170 2.483 ( -4.873 0.000 -6.494) 8.119 2.603 ( -2.703 0.000 1.214) 2.963 2.640 ( 11.533 0.000 -4.557) 12.401 2.877 ( 2.060 0.000 3.914) 4.423 2.946 ( 4.525 0.000 2.300) 5.076 3.387 ( 11.896 0.000 12.341) 17.141 3.497 ( -7.288 0.000 2.829) 7.818 4.525 ( -4.659 0.000 -12.197) 13.057 4.618 ( 1.079 0.000 -8.818) 8.884 4.826 ( 0.368 0.000 -4.935) 4.949 4.863 ( -12.166 0.000 -9.470) 15.417 5.080 ( 1.696 0.000 -1.166) 2.058 5.115 ( -2.631 0.000 -1.634) 3.097 5.200 ( 5.575 0.000 -3.062) 6.361 5.433 ( 0.499 0.000 -7.348) 7.365 6.234 ( 1.537 0.000 8.827) 8.960 6.462 ( -0.286 0.000 0.979) 1.020 6.837 ( 3.320 0.000 0.973) 3.460 6.939 ( 3.845 0.000 -0.775) 3.923 6.962 ( -1.499 0.000 1.462) 2.094 7.400 ( -2.787 0.000 -4.694) 5.459 7.949 ( -8.794 0.000 -1.274) 8.886 8.096 ( 3.521 0.000 -2.802) 4.500 8.239 ( 2.045 0.000 0.161) 2.051 8.349 ( 8.983 0.000 -0.803) 9.019 8.506 ( 4.291 0.000 12.800) 13.500 8.573 ( -0.129 0.000 1.471) 1.477 9.059 ( 4.507 0.000 7.004) 8.328 9.439 ( -4.536 0.000 2.952) 5.412 9.641 ( -5.038 0.000 -4.948) 7.061 9.728 ( -2.248 0.000 -0.814) 2.391 10.159 ( 1.843 0.000 -4.414) 4.784 10.210 ( 1.804 0.000 -10.114) 10.273 10.665 ( 4.414 0.000 6.366) 7.747 10.668 ( -5.541 0.000 7.210) 9.093 10.996 ( -4.328 0.000 2.820) 5.166 11.068 ( 0.300 0.000 0.133) 0.328 11.487 ( 3.668 0.000 -2.108) 4.231 11.701 ( -1.782 0.000 -3.375) 3.817 12.241 ( 9.430 0.000 0.604) 9.450 12.335 ( -13.797 0.000 -10.051) 17.070 12.718 ( 1.244 0.000 9.376) 9.458 13.161 ( 2.323 0.000 -4.463) 5.032 14.749 ( -14.690 0.000 1.519) 14.768 14.804 ( 3.432 0.000 -1.436) 3.721 15.145 ( -6.585 0.000 3.602) 7.506 15.524 ( 6.653 0.000 7.514) 10.036 15.540 ( 5.858 0.000 1.574) 6.066 15.772 ( 2.385 0.000 2.669) 3.580 16.126 ( -4.031 0.000 8.741) 9.626 16.275 ( 2.557 0.000 0.035) 2.558 17.294 ( 8.538 0.000 -3.409) 9.194 17.340 ( -8.464 0.000 -9.204) 12.504 18.514 ( -11.604 0.000 -3.121) 12.016 18.891 ( 10.547 0.000 0.684) 10.569 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -11.238 0.000 1.853) 11.390 1.714 ( -5.400 0.000 -4.291) 6.897 1.932 ( -6.086 0.000 -4.952) 7.846 2.306 ( -2.521 0.000 14.743) 14.957 2.461 ( 10.255 0.000 -7.913) 12.953 2.538 ( 4.806 0.000 -5.168) 7.057 2.647 ( 5.553 0.000 2.736) 6.190 2.802 ( 11.140 0.000 -0.125) 11.140 2.934 ( 0.922 0.000 1.431) 1.703 3.035 ( 3.117 0.000 1.536) 3.475 3.409 ( -4.501 0.000 -0.062) 4.502 3.717 ( 11.358 0.000 11.191) 15.945 4.314 ( -2.718 0.000 -11.665) 11.978 4.542 ( 4.932 0.000 -14.688) 15.494 4.572 ( -11.327 0.000 -2.770) 11.661 4.761 ( -1.607 0.000 -2.008) 2.572 4.999 ( -7.552 0.000 -2.448) 7.939 5.086 ( -0.375 0.000 -0.794) 0.878 5.311 ( 11.029 0.000 -3.690) 11.630 5.351 ( -1.710 0.000 -3.963) 4.316 6.366 ( 1.952 0.000 9.121) 9.328 6.498 ( 3.331 0.000 1.090) 3.505 6.890 ( -3.496 0.000 5.402) 6.434 6.965 ( 3.875 0.000 -7.339) 8.299 6.995 ( 6.621 0.000 -1.186) 6.726 7.336 ( 0.352 0.000 -0.734) 0.814 7.800 ( -6.323 0.000 -1.140) 6.425 8.124 ( 1.491 0.000 0.344) 1.530 8.263 ( 0.253 0.000 0.216) 0.333 8.491 ( 9.331 0.000 -3.174) 9.856 8.601 ( 1.517 0.000 0.560) 1.616 8.711 ( 2.150 0.000 9.712) 9.947 9.251 ( 8.778 0.000 7.825) 11.759 9.331 ( -6.187 0.000 -6.158) 8.729 9.520 ( -5.145 0.000 0.383) 5.159 9.694 ( -1.709 0.000 2.795) 3.276 10.111 ( -0.355 0.000 -9.384) 9.390 10.144 ( 0.838 0.000 -3.493) 3.592 10.612 ( -8.584 0.000 4.202) 9.557 10.695 ( -5.330 0.000 2.133) 5.741 11.072 ( -0.379 0.000 0.065) 0.385 11.074 ( 7.050 0.000 6.608) 9.663 11.583 ( 7.985 0.000 1.364) 8.100 11.633 ( -1.504 0.000 -4.264) 4.522 11.954 ( -15.261 0.000 -12.022) 19.427 12.409 ( 7.218 0.000 3.809) 8.161 12.835 ( 0.391 0.000 8.209) 8.218 13.135 ( 2.249 0.000 -6.809) 7.171 14.492 ( -18.066 0.000 3.673) 18.436 14.877 ( 5.227 0.000 1.006) 5.323 15.060 ( -8.564 0.000 2.057) 8.807 15.671 ( 5.276 0.000 4.786) 7.124 15.697 ( 5.578 0.000 3.110) 6.387 15.798 ( 2.709 0.000 -3.867) 4.721 16.198 ( -2.540 0.000 12.316) 12.575 16.323 ( 2.166 0.000 1.137) 2.446 17.062 ( -9.885 0.000 -10.451) 14.385 17.408 ( 5.952 0.000 2.268) 6.369 18.233 ( -13.565 0.000 -9.652) 16.648 19.101 ( 11.899 0.000 2.544) 12.168 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -24.261 0.000 -4.300) 24.639 1.340 ( -21.677 0.000 -9.620) 23.716 2.063 ( 17.903 0.000 -5.419) 18.705 2.171 ( -24.094 0.000 -4.046) 24.431 2.494 ( -2.402 0.000 -6.928) 7.333 2.635 ( 9.864 0.000 6.746) 11.950 2.760 ( 4.981 0.000 -0.195) 4.985 2.977 ( 3.103 0.000 2.353) 3.894 3.003 ( 10.424 0.000 4.217) 11.245 3.088 ( 4.634 0.000 -2.185) 5.123 3.381 ( 2.207 0.000 -1.023) 2.432 3.999 ( 8.669 0.000 9.019) 12.510 4.184 ( -3.035 0.000 -3.914) 4.953 4.451 ( 5.892 0.000 -16.068) 17.114 4.493 ( -0.044 0.000 4.205) 4.205 4.723 ( -6.556 0.000 4.163) 7.766 4.835 ( -8.572 0.000 -1.955) 8.792 5.091 ( 4.906 0.000 -1.163) 5.042 5.296 ( -1.715 0.000 -1.249) 2.121 5.469 ( 13.201 0.000 -3.887) 13.761 6.491 ( 1.281 0.000 7.305) 7.416 6.584 ( 4.556 0.000 1.196) 4.711 6.856 ( -3.036 0.000 -0.193) 3.042 6.939 ( 6.698 0.000 -9.000) 11.219 7.117 ( 3.436 0.000 6.945) 7.749 7.384 ( 4.177 0.000 0.523) 4.210 7.739 ( -0.431 0.000 -0.210) 0.480 8.158 ( -0.256 0.000 4.193) 4.200 8.215 ( -7.688 0.000 0.306) 7.694 8.556 ( 4.746 0.000 -6.719) 8.226 8.635 ( 4.522 0.000 -3.288) 5.591 8.715 ( -8.331 0.000 -0.176) 8.333 9.157 ( -3.658 0.000 -7.619) 8.451 9.473 ( -3.581 0.000 3.927) 5.315 9.478 ( 7.908 0.000 3.670) 8.718 9.795 ( 6.092 0.000 10.077) 11.775 10.001 ( -1.122 0.000 -6.611) 6.706 10.096 ( -1.152 0.000 -4.502) 4.647 10.500 ( -6.962 0.000 -0.215) 6.965 10.635 ( -4.486 0.000 3.417) 5.640 11.048 ( -3.760 0.000 1.905) 4.215 11.298 ( 11.781 0.000 3.908) 12.412 11.518 ( -9.724 0.000 -3.158) 10.224 11.651 ( -3.239 0.000 -9.837) 10.357 11.752 ( 8.234 0.000 3.347) 8.889 12.550 ( 3.731 0.000 4.541) 5.877 12.909 ( -1.266 0.000 6.223) 6.351 13.091 ( 3.014 0.000 -7.958) 8.510 14.265 ( -18.067 0.000 9.178) 20.264 14.894 ( -11.068 0.000 -2.783) 11.412 14.977 ( 5.250 0.000 0.414) 5.267 15.746 ( -0.236 0.000 -2.342) 2.354 15.782 ( 0.478 0.000 4.620) 4.645 15.834 ( 8.253 0.000 -3.858) 9.111 16.299 ( -0.384 0.000 9.760) 9.768 16.371 ( 1.549 0.000 2.174) 2.669 16.841 ( -4.181 0.000 -6.546) 7.768 17.531 ( -2.006 0.000 12.342) 12.504 17.861 ( -11.247 0.000 -18.344) 21.518 19.319 ( 10.989 0.000 1.939) 11.159 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -24.655 0.000 -11.047) 27.016 0.901 ( -26.498 0.000 2.598) 26.625 1.581 ( -41.054 0.000 0.869) 41.063 2.252 ( 9.259 0.000 -12.734) 15.745 2.359 ( 3.366 0.000 -5.379) 6.345 2.773 ( 0.616 0.000 1.568) 1.684 2.819 ( 2.920 0.000 0.057) 2.921 3.073 ( 4.997 0.000 0.961) 5.088 3.161 ( 7.919 0.000 -3.780) 8.775 3.229 ( 9.969 0.000 3.921) 10.713 3.441 ( 5.452 0.000 -0.303) 5.461 4.124 ( -3.619 0.000 3.030) 4.720 4.194 ( 5.836 0.000 3.042) 6.581 4.404 ( 4.011 0.000 -5.224) 6.586 4.567 ( 0.868 0.000 3.861) 3.957 4.618 ( -10.285 0.000 3.689) 10.926 4.694 ( -6.401 0.000 -0.131) 6.402 5.217 ( 4.978 0.000 -0.318) 4.988 5.281 ( 4.696 0.000 0.741) 4.754 5.653 ( 13.292 0.000 -2.984) 13.623 6.540 ( -2.313 0.000 2.641) 3.511 6.641 ( 4.938 0.000 -4.702) 6.819 6.834 ( 2.279 0.000 -1.406) 2.678 7.049 ( 13.208 0.000 -0.977) 13.244 7.261 ( 0.478 0.000 12.674) 12.683 7.450 ( 4.294 0.000 -2.294) 4.868 7.737 ( -1.297 0.000 -0.937) 1.600 8.019 ( -12.223 0.000 -2.788) 12.536 8.196 ( -6.777 0.000 7.440) 10.064 8.420 ( -2.624 0.000 -17.509) 17.705 8.578 ( -7.478 0.000 5.665) 9.381 8.662 ( 3.225 0.000 -3.745) 4.942 9.066 ( 0.376 0.000 -3.965) 3.983 9.506 ( 1.405 0.000 5.589) 5.763 9.574 ( 2.100 0.000 0.421) 2.141 9.953 ( 1.211 0.000 1.155) 1.674 10.009 ( -3.127 0.000 -4.414) 5.410 10.039 ( 10.097 0.000 0.502) 10.110 10.402 ( -2.831 0.000 -2.649) 3.877 10.625 ( -1.305 0.000 2.470) 2.794 11.021 ( -3.832 0.000 6.980) 7.963 11.305 ( -10.126 0.000 -2.771) 10.498 11.533 ( 13.039 0.000 1.002) 13.078 11.566 ( 0.238 0.000 -4.135) 4.142 11.898 ( 4.414 0.000 2.613) 5.129 12.626 ( 1.289 0.000 1.796) 2.211 12.936 ( -3.516 0.000 5.491) 6.521 13.074 ( 5.886 0.000 -7.404) 9.458 14.085 ( -20.201 0.000 13.246) 24.156 14.661 ( -9.358 0.000 -5.603) 10.907 15.052 ( 6.243 0.000 -3.771) 7.294 15.676 ( -2.521 0.000 -3.553) 4.357 15.839 ( 2.107 0.000 1.867) 2.815 15.921 ( 2.939 0.000 1.685) 3.388 16.406 ( 4.566 0.000 2.766) 5.339 16.426 ( 1.260 0.000 3.081) 3.329 16.765 ( 0.805 0.000 -3.649) 3.737 17.363 ( -23.480 0.000 -5.158) 24.040 17.722 ( 6.010 0.000 2.768) 6.617 19.491 ( 8.364 0.000 -0.270) 8.368 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -13.236 0.000 29.320) 32.170 0.575 ( -23.917 0.000 17.868) 29.855 0.941 ( -44.990 0.000 16.130) 47.794 2.158 ( 0.701 0.000 -4.935) 4.984 2.460 ( 13.134 0.000 -12.071) 17.838 2.736 ( -0.874 0.000 -6.060) 6.123 2.863 ( 1.188 0.000 1.586) 1.982 3.141 ( 3.069 0.000 -1.199) 3.295 3.227 ( 4.860 0.000 -3.961) 6.269 3.386 ( 4.455 0.000 2.670) 5.194 3.529 ( 5.333 0.000 -1.974) 5.687 4.125 ( -4.382 0.000 8.595) 9.647 4.241 ( 2.731 0.000 -5.853) 6.459 4.422 ( -5.146 0.000 2.976) 5.945 4.562 ( -0.247 0.000 8.227) 8.230 4.581 ( -2.456 0.000 3.561) 4.326 4.632 ( -2.649 0.000 -0.608) 2.718 5.208 ( -0.777 0.000 -1.192) 1.423 5.443 ( 7.731 0.000 1.317) 7.842 5.810 ( 8.702 0.000 -2.862) 9.161 6.509 ( -2.352 0.000 -0.041) 2.352 6.673 ( 7.596 0.000 -7.300) 10.535 6.874 ( 3.745 0.000 -1.991) 4.241 7.282 ( 11.226 0.000 1.961) 11.396 7.397 ( -2.355 0.000 10.566) 10.826 7.463 ( 4.578 0.000 -7.708) 8.965 7.583 ( -10.656 0.000 -4.783) 11.680 7.889 ( -1.389 0.000 1.449) 2.007 7.907 ( -15.840 0.000 -12.008) 19.877 8.394 ( 0.861 0.000 2.514) 2.657 8.591 ( -1.520 0.000 14.909) 14.986 8.676 ( 1.631 0.000 0.496) 1.705 9.060 ( 1.659 0.000 -0.880) 1.878 9.589 ( 1.003 0.000 -1.515) 1.817 9.615 ( 3.361 0.000 3.292) 4.704 9.913 ( -2.767 0.000 -1.832) 3.319 9.997 ( 1.921 0.000 -1.890) 2.695 10.133 ( 6.438 0.000 -4.108) 7.637 10.316 ( -2.368 0.000 -5.575) 6.057 10.627 ( -0.453 0.000 -0.300) 0.543 11.066 ( -1.422 0.000 -5.374) 5.559 11.162 ( -7.575 0.000 15.032) 16.833 11.560 ( 0.510 0.000 2.592) 2.642 11.740 ( 11.117 0.000 -0.441) 11.126 11.931 ( -1.821 0.000 -1.031) 2.092 12.645 ( 2.023 0.000 -2.647) 3.332 12.907 ( -7.070 0.000 4.584) 8.426 13.132 ( 10.521 0.000 -5.874) 12.049 13.866 ( -22.174 0.000 10.985) 24.746 14.539 ( -1.704 0.000 1.874) 2.533 15.105 ( 8.362 0.000 -8.099) 11.641 15.614 ( -1.324 0.000 -1.742) 2.188 15.865 ( -1.968 0.000 1.441) 2.439 15.977 ( 0.037 0.000 4.529) 4.529 16.472 ( 0.463 0.000 2.613) 2.654 16.500 ( 9.779 0.000 -8.205) 12.765 16.756 ( 2.211 0.000 -2.914) 3.658 16.904 ( -18.722 0.000 -10.914) 21.671 17.894 ( 1.390 0.000 15.927) 15.987 19.579 ( 4.556 0.000 -3.412) 5.692 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.733 23.572 5.796) 24.285 0.975 ( 1.172 17.496 25.384) 30.852 1.439 ( -2.534 29.717 30.755) 42.842 2.233 ( 8.233 0.439 0.459) 8.257 2.452 ( 5.558 -2.801 -12.956) 14.373 2.672 ( 2.314 2.932 -8.312) 9.113 2.876 ( -0.591 -2.254 2.844) 3.676 3.073 ( -1.548 -3.430 0.895) 3.868 3.266 ( 1.093 -0.155 -5.319) 5.432 3.431 ( -0.816 -2.100 3.581) 4.231 3.481 ( -0.798 -4.168 -6.101) 7.431 4.029 ( -2.608 -7.902 -2.729) 8.757 4.212 ( -2.542 3.304 2.208) 4.718 4.415 ( 0.288 3.018 2.266) 3.785 4.593 ( 0.590 -2.247 4.006) 4.630 4.667 ( -1.996 5.239 4.678) 7.302 4.760 ( 1.267 4.843 10.751) 11.860 5.180 ( -0.414 -3.012 -2.106) 3.699 5.511 ( -0.692 -0.262 0.018) 0.740 5.798 ( 1.312 -5.419 -3.530) 6.599 6.386 ( -2.053 -6.746 -0.611) 7.078 6.527 ( 2.394 -11.244 -3.287) 11.957 6.998 ( 2.652 3.879 -4.513) 6.515 7.162 ( -9.002 -5.152 -9.041) 13.759 7.337 ( -6.934 3.838 -4.513) 9.120 7.481 ( 3.160 -3.591 4.032) 6.256 7.596 ( 13.179 1.832 -7.799) 15.423 7.665 ( -3.482 1.116 -2.687) 4.538 7.907 ( 1.012 -3.635 6.127) 7.196 8.323 ( -0.498 -6.093 -0.658) 6.149 8.686 ( 2.196 -3.159 9.891) 10.613 8.848 ( 1.045 -0.685 13.780) 13.836 9.129 ( 1.579 3.361 3.797) 5.311 9.593 ( -3.967 -0.246 -2.445) 4.666 9.661 ( 1.653 4.944 -1.692) 5.480 9.740 ( 1.687 -8.201 -6.552) 10.632 10.096 ( -0.705 7.198 1.096) 7.315 10.155 ( -0.688 3.149 -6.138) 6.932 10.294 ( 1.380 3.597 -4.157) 5.668 10.684 ( -1.735 4.769 -3.291) 6.048 10.984 ( -1.125 0.254 0.465) 1.244 11.293 ( -0.125 -1.092 14.580) 14.621 11.596 ( 1.957 -4.581 7.225) 8.775 11.743 ( -6.190 -3.689 -3.897) 8.192 11.960 ( 5.541 4.452 -2.435) 7.514 12.693 ( 0.596 4.003 -6.143) 7.356 12.838 ( -6.171 2.213 2.661) 7.075 13.271 ( 14.283 -0.955 -6.863) 15.875 13.618 ( -18.503 0.760 12.042) 22.089 14.635 ( 3.564 0.688 7.585) 8.409 15.014 ( 4.588 -7.154 -7.011) 11.017 15.584 ( 0.679 -5.749 3.253) 6.640 15.836 ( -3.761 0.949 -2.178) 4.448 16.068 ( -0.966 -0.649 3.467) 3.657 16.253 ( -1.894 -3.626 -16.584) 17.081 16.609 ( 7.832 0.367 -6.524) 10.200 16.693 ( -3.746 6.551 0.450) 7.560 16.965 ( 0.254 18.727 -6.322) 19.767 18.081 ( -0.353 -3.733 21.975) 22.292 19.501 ( 0.259 -5.644 -6.645) 8.722 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 18.250 18.752 3.715) 26.429 1.262 ( 4.028 19.710 19.744) 28.188 1.895 ( 11.929 9.878 24.892) 29.317 2.307 ( 5.931 -1.973 -15.073) 16.318 2.475 ( 4.380 -1.178 3.956) 6.019 2.601 ( 0.008 4.021 -6.348) 7.515 2.892 ( -1.938 -2.030 4.802) 5.562 3.019 ( -4.381 -1.232 -1.929) 4.943 3.201 ( -2.159 -0.931 -4.445) 5.028 3.295 ( -9.032 -3.349 -5.904) 11.298 3.476 ( -1.492 -2.644 4.756) 5.642 3.920 ( -3.726 -7.676 -6.703) 10.851 4.192 ( -2.087 4.499 1.602) 5.212 4.440 ( 1.979 4.937 -0.955) 5.404 4.651 ( -1.961 -2.011 8.436) 8.891 4.750 ( 3.297 2.787 6.421) 7.737 4.904 ( 0.972 3.633 10.283) 10.949 5.165 ( 1.521 -2.868 -2.043) 3.836 5.436 ( -7.380 0.309 0.235) 7.390 5.734 ( -3.611 -4.990 -3.480) 7.074 6.329 ( -2.899 -5.317 -2.372) 6.504 6.505 ( 0.395 -8.713 -4.655) 9.887 6.894 ( -4.744 -2.555 -5.470) 7.679 7.044 ( -0.116 0.195 -2.088) 2.100 7.179 ( -3.350 2.720 -3.474) 5.540 7.528 ( -0.915 0.434 -0.943) 1.384 7.641 ( 4.527 -1.170 -2.678) 5.388 7.744 ( 10.561 0.007 -4.774) 11.590 8.014 ( 1.719 -5.570 7.149) 9.224 8.319 ( 2.735 -4.777 -2.247) 5.945 8.820 ( 0.963 -3.328 8.722) 9.385 8.992 ( -3.204 -3.945 12.067) 13.093 9.215 ( 2.631 3.881 4.043) 6.192 9.486 ( -4.500 1.837 -1.574) 5.109 9.634 ( -1.218 -3.466 -12.013) 12.563 9.660 ( -0.714 3.466 -3.774) 5.173 10.084 ( 0.983 4.041 3.424) 5.387 10.185 ( 3.950 6.332 2.646) 7.918 10.235 ( -0.366 1.413 -5.574) 5.762 10.594 ( -2.287 4.194 -4.507) 6.567 11.062 ( 1.801 -4.024 8.770) 9.815 11.414 ( -1.310 -0.472 8.367) 8.482 11.492 ( -8.304 -1.751 -10.989) 13.885 11.775 ( 1.712 -2.670 12.207) 12.612 12.006 ( 2.343 4.622 -1.602) 5.424 12.584 ( -3.048 1.729 -7.565) 8.337 12.775 ( -3.187 5.180 -0.973) 6.160 13.347 ( 0.284 -6.132 -2.565) 6.653 13.622 ( 4.601 5.869 10.630) 12.985 14.804 ( 4.756 -2.028 7.923) 9.460 15.015 ( 3.693 -4.025 -5.361) 7.654 15.536 ( -7.642 -6.386 -1.728) 10.108 15.823 ( 4.724 1.600 -0.612) 5.025 16.009 ( -2.244 -6.505 -16.033) 17.448 16.122 ( 1.748 3.042 3.825) 5.190 16.620 ( 0.454 12.596 -2.274) 12.808 16.754 ( 10.567 -1.993 -4.544) 11.674 16.889 ( -1.253 13.346 -4.413) 14.112 18.314 ( -2.356 -3.235 22.934) 23.280 19.379 ( -3.640 -5.766 -9.705) 11.861 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 20.683 13.299 0.654) 24.598 1.566 ( 7.897 11.779 16.439) 21.711 2.157 ( 4.072 -4.852 -13.991) 15.358 2.207 ( -5.099 3.340 1.744) 6.340 2.416 ( -0.769 3.181 -10.262) 10.772 2.627 ( -0.398 -0.228 4.057) 4.083 2.865 ( -4.806 -1.609 -4.368) 6.691 2.973 ( -1.827 -1.286 7.442) 7.770 3.092 ( -6.324 2.848 1.659) 7.131 3.146 ( -3.622 -4.591 -3.472) 6.801 3.506 ( -3.149 -1.602 7.200) 8.020 3.757 ( -6.333 -5.784 -7.816) 11.604 4.197 ( 2.168 2.018 0.726) 3.049 4.487 ( 6.238 2.191 -1.430) 6.764 4.743 ( -1.371 0.064 14.129) 14.195 4.862 ( 1.552 0.294 3.969) 4.271 5.001 ( -0.617 3.240 6.643) 7.417 5.160 ( -2.000 -2.192 -0.910) 3.103 5.338 ( -1.842 1.437 -0.479) 2.385 5.625 ( -4.748 -2.061 -2.794) 5.882 6.241 ( -2.982 -2.914 -3.968) 5.756 6.458 ( 0.385 -5.265 -3.486) 6.326 6.819 ( 0.323 -3.413 -1.451) 3.722 7.020 ( -2.043 0.152 0.379) 2.083 7.163 ( 1.494 -3.186 1.615) 3.872 7.456 ( -5.676 4.548 -1.534) 7.433 7.677 ( 2.307 -3.559 -1.439) 4.478 7.858 ( 9.495 -3.611 -4.215) 10.998 8.084 ( 0.199 -8.278 2.603) 8.680 8.363 ( 5.117 -0.945 -3.372) 6.201 8.890 ( -4.920 -2.486 8.136) 9.828 9.000 ( -6.921 -3.062 6.190) 9.778 9.291 ( 2.642 2.192 -1.085) 3.600 9.336 ( -7.638 0.737 -13.235) 15.299 9.493 ( 0.576 4.511 -0.327) 4.559 9.630 ( 0.619 3.112 -0.382) 3.196 10.185 ( 6.703 2.173 -3.840) 8.025 10.215 ( 2.184 4.897 2.188) 5.791 10.286 ( 1.720 3.518 5.656) 6.879 10.577 ( 4.038 2.078 1.969) 4.950 11.118 ( -6.808 -5.252 -2.475) 8.948 11.202 ( -9.065 -0.700 -3.026) 9.582 11.509 ( 2.105 -5.025 5.371) 7.650 11.918 ( -0.548 -1.689 5.393) 5.678 12.037 ( 2.731 8.970 6.544) 11.434 12.455 ( -1.311 2.594 -8.314) 8.808 12.700 ( -2.929 4.890 -3.326) 6.600 13.313 ( -3.333 -6.804 2.271) 7.910 13.901 ( 14.465 6.237 8.381) 17.843 14.923 ( 4.194 -5.332 -1.696) 6.992 15.016 ( -2.260 0.796 4.364) 4.979 15.390 ( -1.080 -3.072 -8.716) 9.304 15.815 ( -1.742 -5.377 -11.877) 13.154 15.883 ( 0.943 -0.791 0.330) 1.274 16.225 ( 2.178 8.744 5.038) 10.324 16.600 ( -2.130 16.286 1.050) 16.458 16.850 ( 6.535 -2.117 -3.011) 7.500 16.901 ( 11.225 2.111 -5.693) 12.762 18.509 ( -4.125 -3.958 20.717) 21.491 19.174 ( -6.115 -6.373 -11.860) 14.787 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 8.575 9.107 -4.345) 13.242 1.872 ( 7.078 1.113 9.039) 11.534 1.952 ( -3.815 1.489 -6.492) 7.676 2.051 ( -5.211 -0.328 -6.005) 7.958 2.370 ( 7.450 -0.017 -11.081) 13.353 2.637 ( -1.041 1.661 1.214) 2.306 2.733 ( -6.184 0.654 -1.871) 6.494 2.968 ( -6.656 -1.531 2.315) 7.211 3.030 ( -5.943 -3.098 -3.407) 7.518 3.045 ( -5.769 1.138 4.399) 7.344 3.496 ( -8.242 -3.598 -2.771) 9.410 3.567 ( -5.709 -1.112 2.290) 6.251 4.308 ( 8.311 -1.113 2.935) 8.884 4.617 ( 9.165 -1.682 0.644) 9.340 4.877 ( -1.858 -3.717 0.996) 4.273 4.918 ( 2.205 1.839 12.455) 12.781 5.039 ( -3.740 -1.549 2.073) 4.548 5.083 ( -1.828 0.600 1.334) 2.341 5.363 ( 4.506 1.792 -3.161) 5.789 5.524 ( -2.803 3.718 -3.482) 5.815 6.158 ( -2.187 -1.190 -2.690) 3.665 6.452 ( 1.095 -3.092 0.138) 3.283 6.852 ( 2.545 -2.660 1.577) 4.005 6.974 ( -4.106 -0.064 0.684) 4.163 7.221 ( 3.004 -4.954 -0.592) 5.824 7.319 ( -9.359 4.442 1.458) 10.461 7.702 ( 1.314 -7.766 1.281) 7.980 7.954 ( 6.936 -7.812 -3.699) 11.082 8.108 ( 1.327 -4.358 1.313) 4.741 8.356 ( -0.039 -0.235 -6.617) 6.621 8.816 ( -11.803 -0.301 4.528) 12.645 8.960 ( -6.711 5.109 3.358) 9.079 9.023 ( -5.345 0.560 -11.974) 13.124 9.327 ( 1.703 1.948 -1.831) 3.170 9.566 ( 4.699 2.217 3.599) 6.321 9.680 ( 3.290 2.067 2.150) 4.440 10.255 ( 8.845 3.436 -4.961) 10.707 10.260 ( 2.063 5.100 -0.104) 5.502 10.403 ( 3.584 0.444 6.766) 7.670 10.744 ( 6.866 1.864 7.780) 10.543 10.822 ( -9.560 4.540 -13.993) 17.545 11.123 ( -7.015 -6.809 3.722) 10.461 11.573 ( -2.069 -10.965 4.720) 12.116 11.873 ( -4.657 1.136 -0.789) 4.858 12.231 ( 3.730 5.268 5.610) 8.552 12.382 ( 5.131 7.483 -3.792) 9.833 12.619 ( -2.661 4.037 -1.792) 5.156 13.280 ( -3.480 -6.069 1.160) 7.092 14.260 ( 16.489 5.800 8.951) 19.637 14.899 ( -1.652 -2.669 -3.917) 5.019 15.055 ( -0.666 -3.754 6.083) 7.179 15.326 ( 4.038 1.142 -7.120) 8.265 15.693 ( -0.416 -3.268 -6.582) 7.361 15.847 ( -4.020 2.309 -2.223) 5.141 16.245 ( -4.405 11.092 3.235) 12.365 16.556 ( -4.321 16.596 0.302) 17.152 16.983 ( 12.845 -4.955 -7.926) 15.886 17.082 ( 13.504 -2.249 4.574) 14.434 18.635 ( -5.736 -5.172 15.774) 17.563 18.930 ( -6.258 -7.614 -12.230) 15.707 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.878 5.451 -0.529) 5.546 1.821 ( -3.451 -1.569 -3.131) 4.917 1.894 ( -3.928 2.002 -2.516) 5.076 2.192 ( 13.904 -4.499 -2.255) 14.787 2.398 ( 7.202 -0.160 -3.213) 7.888 2.626 ( 0.907 8.980 -4.420) 10.050 2.650 ( -5.112 -4.745 5.739) 9.033 2.846 ( -7.959 -0.610 -1.490) 8.120 2.920 ( -2.638 2.118 0.270) 3.394 2.970 ( -7.579 -2.990 3.568) 8.894 3.230 ( -12.054 -0.345 -8.355) 14.670 3.566 ( -4.771 -2.025 6.971) 8.687 4.493 ( 9.671 -2.831 1.434) 10.179 4.755 ( 4.385 -1.082 1.557) 4.777 4.817 ( -2.646 -4.774 -5.409) 7.685 4.970 ( 1.553 -3.906 1.684) 4.528 5.078 ( 2.937 0.745 -0.022) 3.030 5.129 ( 0.010 -2.181 4.725) 5.204 5.328 ( -3.263 0.423 -4.595) 5.652 5.482 ( 3.026 4.573 -5.584) 7.826 6.118 ( -1.007 0.087 0.466) 1.113 6.489 ( 0.909 0.505 2.906) 3.086 6.893 ( 1.199 -1.984 -1.337) 2.676 6.927 ( -3.693 3.880 3.403) 6.346 7.128 ( -5.730 7.240 -4.086) 10.097 7.309 ( 0.345 -10.169 3.413) 10.732 7.743 ( 0.084 -13.598 3.112) 13.950 7.978 ( 2.191 -13.577 -4.724) 14.541 8.201 ( 4.535 3.227 5.857) 8.080 8.226 ( -3.824 -2.360 -8.106) 9.268 8.649 ( -9.060 10.445 -0.617) 13.840 8.826 ( -5.225 5.080 -1.002) 7.356 8.933 ( -1.770 1.437 -2.871) 3.666 9.359 ( 1.608 -0.035 3.703) 4.037 9.683 ( 3.175 -2.706 2.761) 5.003 9.758 ( 3.963 4.991 1.090) 6.465 10.295 ( 3.653 2.564 -3.533) 5.692 10.355 ( 6.821 4.863 -0.660) 8.403 10.537 ( -2.479 5.987 -10.240) 12.118 10.541 ( 0.196 1.136 5.011) 5.142 10.926 ( 3.259 0.024 7.528) 8.203 11.053 ( -4.577 -6.089 1.581) 7.780 11.549 ( -4.089 -7.394 0.828) 8.489 11.794 ( -4.027 -1.304 0.334) 4.246 12.195 ( 0.726 4.770 -7.538) 8.950 12.528 ( 4.283 3.866 0.029) 5.770 12.619 ( 1.895 5.839 6.884) 9.223 13.215 ( -3.750 -4.443 -1.985) 6.143 14.610 ( 13.398 3.571 5.986) 15.103 14.833 ( -0.903 -1.341 -0.689) 1.757 15.122 ( 0.078 -5.038 6.692) 8.377 15.346 ( 2.299 2.276 -0.978) 3.380 15.641 ( -0.963 -0.616 -1.937) 2.249 15.724 ( -3.943 9.354 -4.065) 10.935 16.206 ( -4.074 7.057 3.524) 8.877 16.473 ( -4.864 15.090 -1.014) 15.887 17.080 ( 11.208 -4.047 -9.192) 15.049 17.362 ( 10.346 -2.909 5.397) 12.026 18.656 ( -5.624 -8.403 3.023) 10.553 18.735 ( -4.402 -7.579 -3.637) 9.490 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 4.734 3.655 12.691) 14.030 1.729 ( -6.363 -0.365 2.060) 6.698 1.817 ( 3.654 0.204 -3.666) 5.180 2.304 ( 12.776 -4.049 -11.986) 17.980 2.507 ( 0.392 -3.427 0.997) 3.591 2.611 ( -3.101 1.234 1.579) 3.693 2.644 ( -0.063 1.615 3.058) 3.459 2.682 ( -5.881 1.459 -3.576) 7.036 2.897 ( -0.264 1.806 0.161) 1.832 2.924 ( -6.600 2.207 -4.430) 8.250 3.073 ( 4.199 -1.073 8.925) 9.922 3.541 ( -6.015 -2.603 4.124) 7.744 4.613 ( 5.281 -2.993 -4.316) 7.448 4.691 ( -1.327 -2.740 -7.399) 8.001 4.825 ( -0.832 0.859 3.312) 3.521 4.986 ( 0.240 -4.170 -5.919) 7.245 5.097 ( 1.421 -3.258 -4.268) 5.554 5.142 ( -0.692 0.779 -0.423) 1.125 5.198 ( -2.966 -3.124 -5.195) 6.749 5.465 ( 3.411 -0.243 -6.468) 7.317 6.136 ( 0.267 0.224 3.877) 3.893 6.519 ( -1.832 3.756 2.491) 4.865 6.855 ( -2.935 3.312 -1.798) 4.776 6.945 ( 4.386 3.702 0.388) 5.753 7.037 ( -4.852 5.548 2.395) 7.749 7.332 ( 0.908 -11.422 -1.894) 11.613 7.758 ( -2.601 -16.907 3.032) 17.373 7.952 ( 2.721 -13.292 -5.850) 14.776 8.112 ( -1.178 -5.324 -2.330) 5.930 8.351 ( 2.812 3.261 8.078) 9.154 8.537 ( -3.057 13.506 -1.820) 13.966 8.765 ( -1.000 10.624 -0.607) 10.688 8.921 ( 1.963 -1.271 2.242) 3.240 9.438 ( -0.665 0.572 7.142) 7.195 9.710 ( -0.565 -3.441 -0.566) 3.532 9.812 ( 0.619 6.049 -0.665) 6.117 10.262 ( 0.604 3.170 -7.009) 7.717 10.363 ( 1.262 7.086 -9.769) 12.134 10.496 ( 5.653 1.022 3.975) 6.986 10.662 ( 0.520 2.869 8.021) 8.534 10.978 ( -2.299 -5.873 1.610) 6.509 11.025 ( -2.532 -3.197 2.215) 4.641 11.483 ( -2.236 -2.537 -1.782) 3.822 11.749 ( -2.242 -1.867 0.471) 2.956 12.176 ( 4.933 5.470 -3.126) 8.001 12.545 ( -0.273 0.878 -1.227) 1.533 12.707 ( -1.170 5.840 3.832) 7.083 13.134 ( -1.169 -4.102 -3.878) 5.765 14.719 ( 3.195 -3.237 -3.758) 5.899 14.947 ( 1.527 7.019 10.086) 12.382 15.211 ( 0.679 -2.747 4.287) 5.137 15.272 ( -8.854 -1.646 1.276) 9.096 15.660 ( 5.858 7.719 1.873) 9.870 15.711 ( 2.212 7.187 2.489) 7.921 16.183 ( -4.368 5.524 3.627) 7.921 16.395 ( -1.471 12.365 -2.138) 12.634 17.155 ( 9.400 -4.452 -7.509) 12.828 17.473 ( -0.379 -1.626 -1.795) 2.451 18.588 ( -3.654 -9.806 -0.393) 10.472 18.673 ( -0.132 -8.256 -0.690) 8.286 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -3.928 -1.832 4.750) 6.430 1.747 ( 2.530 2.667 4.883) 6.112 2.057 ( 10.907 -0.238 8.456) 13.803 2.338 ( -13.925 1.679 -1.387) 14.094 2.383 ( 8.008 -3.746 -6.589) 11.026 2.517 ( -0.501 0.586 -3.904) 3.979 2.632 ( 0.882 5.592 -3.143) 6.475 2.730 ( 5.464 4.626 2.156) 7.477 2.864 ( 2.121 -0.762 1.741) 2.848 2.952 ( 3.394 0.369 1.682) 3.806 3.334 ( 9.134 -4.288 11.305) 15.153 3.472 ( -4.693 -2.363 1.545) 5.477 4.520 ( -4.058 -0.511 -11.296) 12.013 4.615 ( 2.531 -0.245 -8.857) 9.215 4.808 ( -2.862 -1.470 -7.682) 8.329 4.826 ( -9.211 -2.952 -6.072) 11.420 4.996 ( 0.250 -5.821 -0.477) 5.846 5.099 ( -4.235 -0.789 -1.739) 4.646 5.225 ( 7.246 -0.136 -4.188) 8.371 5.455 ( 3.853 0.649 -5.976) 7.141 6.212 ( 0.783 -1.694 7.475) 7.704 6.493 ( -2.350 2.592 0.826) 3.595 6.820 ( 1.518 0.669 -1.163) 2.026 6.983 ( -5.356 2.744 2.444) 6.495 7.034 ( 5.352 4.440 -2.782) 7.490 7.304 ( 0.047 -6.847 -1.480) 7.006 7.731 ( -2.908 -14.958 0.363) 15.242 7.966 ( 6.024 -10.268 -4.972) 12.902 8.124 ( -0.093 -10.898 5.255) 12.099 8.470 ( 2.353 2.858 5.840) 6.915 8.489 ( 0.952 9.821 -3.652) 10.522 8.779 ( 1.931 7.111 -0.025) 7.369 9.048 ( 5.164 3.097 9.067) 10.884 9.473 ( -3.151 2.789 4.217) 5.958 9.665 ( -3.757 0.254 -1.312) 3.988 9.761 ( -2.921 4.046 -2.054) 5.396 10.222 ( 1.966 4.849 -4.084) 6.637 10.273 ( 0.626 5.238 -9.618) 10.969 10.616 ( 0.839 -1.935 3.312) 3.927 10.730 ( -1.647 2.822 6.144) 6.958 10.966 ( -3.205 -2.397 4.589) 6.089 10.982 ( 0.153 -7.142 -2.059) 7.435 11.461 ( 0.303 -1.016 0.984) 1.447 11.727 ( 0.497 1.110 -1.672) 2.068 12.254 ( 2.723 3.082 0.014) 4.112 12.436 ( -4.539 7.024 -7.868) 11.482 12.736 ( -0.736 1.375 6.737) 6.915 13.094 ( 1.681 -5.859 -4.999) 7.883 14.751 ( 1.678 -0.088 0.681) 1.813 14.881 ( -13.647 7.965 -0.314) 15.804 15.141 ( -5.340 -0.685 6.357) 8.330 15.356 ( 3.702 -5.135 5.091) 8.123 15.779 ( 1.163 0.812 4.667) 4.878 15.854 ( 10.030 17.353 4.470) 20.536 16.145 ( -5.072 2.740 5.540) 7.995 16.391 ( 3.216 10.244 -2.053) 10.931 17.202 ( 2.511 -7.213 -6.445) 9.993 17.352 ( -3.503 -0.303 -6.373) 7.278 18.442 ( -10.897 -6.742 -3.341) 13.242 18.782 ( 10.972 -10.071 1.335) 14.953 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -5.650 -2.188 -1.465) 6.233 1.827 ( -2.246 6.742 -1.298) 7.223 1.990 ( -5.940 5.269 -3.601) 8.719 2.313 ( -1.707 -0.205 12.525) 12.642 2.459 ( 5.091 -0.724 0.895) 5.219 2.551 ( 7.516 1.676 -8.104) 11.179 2.673 ( 5.655 3.841 0.620) 6.864 2.864 ( 6.879 3.981 3.134) 8.543 2.913 ( 1.334 -1.450 -0.059) 1.971 3.020 ( 2.872 -1.369 0.776) 3.275 3.367 ( -3.650 -3.646 -0.688) 5.205 3.655 ( 10.094 -5.420 10.159) 15.312 4.318 ( -2.629 0.313 -11.888) 12.179 4.517 ( -1.999 -1.788 -11.883) 12.182 4.574 ( -3.234 -0.094 -6.347) 7.124 4.736 ( -3.204 -1.813 -0.380) 3.701 4.990 ( -4.096 0.420 -2.812) 4.986 5.058 ( 3.198 -3.987 1.619) 5.361 5.264 ( 3.816 -0.591 -5.078) 6.380 5.459 ( 3.908 4.709 -4.432) 7.556 6.302 ( -0.490 -4.432 6.986) 8.288 6.505 ( 1.866 -0.929 3.138) 3.767 6.871 ( 5.068 -1.169 -1.603) 5.443 6.919 ( -4.608 -0.047 1.034) 4.722 7.019 ( 1.187 -2.306 -5.111) 5.732 7.357 ( 4.743 2.888 1.916) 5.875 7.683 ( -1.671 -9.864 -0.942) 10.048 8.015 ( 4.616 -7.098 -1.981) 8.695 8.178 ( -3.650 -11.950 6.416) 14.046 8.500 ( 6.956 2.420 -5.727) 9.330 8.563 ( 1.858 1.253 3.874) 4.476 8.776 ( -1.408 0.027 -2.955) 3.273 9.270 ( 7.648 5.849 9.804) 13.741 9.412 ( -5.439 5.335 -3.317) 8.309 9.589 ( -3.257 4.588 1.927) 5.947 9.725 ( -1.962 2.769 3.232) 4.686 10.164 ( -1.125 4.679 -8.506) 9.773 10.208 ( 1.372 5.097 -4.348) 6.838 10.569 ( -7.321 -3.928 0.831) 8.350 10.719 ( -5.714 1.625 3.306) 6.798 10.972 ( 2.702 -7.070 -1.204) 7.663 11.078 ( 5.549 -0.424 7.111) 9.030 11.498 ( -0.067 -1.977 3.903) 4.376 11.734 ( 3.652 2.860 -3.509) 5.816 12.068 ( -11.668 10.446 -9.492) 18.313 12.452 ( 5.384 3.945 2.039) 6.980 12.813 ( 0.242 -2.129 6.297) 6.652 13.064 ( 2.365 -6.178 -5.973) 8.912 14.556 ( -18.895 6.427 1.976) 20.056 14.880 ( 4.837 0.813 2.254) 5.398 15.103 ( -7.625 3.086 4.848) 9.548 15.455 ( 1.868 -7.252 4.109) 8.542 15.796 ( -0.416 0.460 -0.930) 1.117 16.061 ( 8.464 19.213 0.855) 21.012 16.179 ( -2.855 -1.362 11.837) 12.252 16.429 ( 3.950 9.554 -1.832) 10.499 17.013 ( -8.271 -4.334 -8.218) 12.439 17.369 ( 4.651 -3.447 1.068) 5.887 18.170 ( -12.687 -5.827 -9.943) 17.140 19.010 ( 12.623 -8.495 2.975) 15.504 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -16.489 6.140 -7.195) 19.010 1.532 ( -19.052 12.799 -7.619) 24.184 2.099 ( 14.341 3.291 -4.555) 15.402 2.280 ( -18.496 9.325 -0.752) 20.727 2.487 ( -1.491 -0.486 -2.496) 2.948 2.595 ( 6.294 -3.035 1.657) 7.182 2.780 ( 5.954 1.174 -0.254) 6.074 2.945 ( 2.725 -2.818 2.174) 4.482 3.018 ( 6.588 -0.049 4.011) 7.713 3.079 ( 6.629 0.435 -1.325) 6.774 3.340 ( 2.320 -3.614 -1.328) 4.495 3.899 ( 6.558 -8.188 7.611) 12.960 4.195 ( -1.188 0.292 -4.117) 4.295 4.407 ( 3.520 -2.589 -11.473) 12.277 4.515 ( 1.721 0.861 -0.654) 2.032 4.676 ( -6.279 -1.447 2.005) 6.749 4.939 ( -2.800 6.367 1.145) 7.049 5.100 ( 3.711 0.167 -0.765) 3.792 5.278 ( 2.239 -1.656 -1.199) 3.032 5.497 ( 7.562 2.251 -4.321) 8.996 6.355 ( 0.098 -8.185 3.452) 8.884 6.589 ( 0.623 -3.831 4.136) 5.672 6.863 ( -1.384 -0.277 -0.125) 1.417 6.910 ( 7.410 -1.527 -6.365) 9.887 7.071 ( 3.813 -2.343 5.426) 7.033 7.446 ( 3.450 3.964 0.704) 5.302 7.678 ( 2.192 -5.512 -0.638) 5.966 8.075 ( 2.433 -6.486 1.410) 7.069 8.123 ( -9.199 -8.342 3.876) 13.009 8.538 ( 6.194 -3.018 -11.536) 13.437 8.589 ( -6.312 -6.240 2.770) 9.298 8.692 ( 0.905 3.341 -3.739) 5.095 9.248 ( -5.782 5.530 -7.035) 10.654 9.447 ( 2.562 3.141 4.428) 6.003 9.631 ( 2.209 7.868 4.395) 9.279 9.776 ( 1.229 -0.608 6.777) 6.915 10.055 ( -1.342 4.999 -5.346) 7.441 10.176 ( 0.796 6.084 -3.574) 7.101 10.452 ( -5.281 -4.025 -1.216) 6.750 10.673 ( -4.048 3.093 3.852) 6.387 11.002 ( -0.800 -3.878 3.264) 5.131 11.253 ( 7.428 -3.039 1.858) 8.238 11.536 ( -0.368 0.185 4.610) 4.629 11.664 ( -6.646 1.874 -8.582) 11.015 11.897 ( 2.791 12.169 -2.662) 12.766 12.559 ( 3.415 1.102 3.481) 5.000 12.873 ( 0.025 -3.256 3.960) 5.127 13.047 ( 3.215 -3.932 -5.040) 7.156 14.293 ( -18.521 3.690 6.524) 19.980 14.894 ( -7.596 0.865 -1.144) 7.731 15.056 ( -0.390 5.997 2.377) 6.463 15.501 ( -0.809 -9.682 2.259) 9.975 15.798 ( 3.488 -0.729 -1.888) 4.033 16.106 ( -0.028 11.617 -3.341) 12.088 16.252 ( -2.218 -3.766 6.824) 8.104 16.502 ( 4.827 11.382 1.329) 12.434 16.884 ( 0.636 5.932 -1.791) 6.229 17.461 ( -3.210 -6.504 11.491) 13.589 17.815 ( -9.476 -4.230 -18.688) 21.376 19.242 ( 11.514 -7.190 2.188) 13.750 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -17.158 15.819 -10.179) 25.461 1.126 ( -20.210 15.614 -4.694) 25.967 1.792 ( -32.969 17.987 4.741) 37.854 2.295 ( 4.496 3.710 -10.887) 12.350 2.374 ( 6.467 1.362 -6.152) 9.029 2.704 ( 1.913 -4.391 3.487) 5.925 2.826 ( 2.132 -1.347 -2.942) 3.875 3.009 ( 2.946 -4.085 0.671) 5.081 3.187 ( 9.039 0.827 -0.997) 9.131 3.228 ( 8.702 -0.069 3.573) 9.407 3.400 ( 5.399 -3.780 -0.168) 6.593 4.022 ( 1.328 -8.411 3.338) 9.146 4.195 ( 1.737 -0.749 1.254) 2.270 4.355 ( 3.649 -3.732 -6.303) 8.183 4.565 ( -1.470 1.073 4.026) 4.418 4.605 ( -2.980 1.026 2.283) 3.892 4.845 ( -8.816 10.173 1.043) 13.501 5.219 ( 5.327 -0.564 1.011) 5.451 5.300 ( 4.345 1.020 0.237) 4.469 5.620 ( 11.299 -2.853 -2.997) 12.033 6.387 ( 0.869 -10.126 0.902) 10.203 6.574 ( -2.526 -6.371 -1.498) 7.015 6.890 ( 5.170 1.430 -1.904) 5.692 7.051 ( 11.766 -0.979 2.129) 11.997 7.210 ( 3.471 -2.028 7.786) 8.763 7.486 ( 1.710 1.765 -1.302) 2.781 7.709 ( 0.584 -2.311 -0.729) 2.492 7.947 ( -11.023 -5.910 -1.227) 12.567 8.128 ( -4.638 -6.300 3.502) 8.571 8.358 ( -4.515 -6.168 -10.854) 13.275 8.529 ( -2.162 -0.780 -0.486) 2.349 8.717 ( 1.501 2.375 -0.502) 2.854 9.114 ( -2.045 3.797 -3.782) 5.736 9.509 ( 2.004 1.059 2.802) 3.604 9.676 ( 0.469 6.877 -0.404) 6.905 9.845 ( -0.086 -6.186 0.972) 6.262 10.036 ( 1.517 6.129 0.269) 6.320 10.182 ( 3.618 6.537 -2.210) 7.792 10.389 ( -1.176 -0.475 -1.131) 1.699 10.675 ( -0.026 3.641 2.322) 4.319 11.020 ( -3.464 -0.323 7.169) 7.969 11.280 ( -4.850 -2.112 -2.329) 5.780 11.497 ( -0.542 -2.260 -5.530) 5.999 11.633 ( 5.528 3.917 4.861) 8.338 11.946 ( 3.253 5.113 -1.586) 6.264 12.640 ( 2.640 1.451 2.211) 3.737 12.908 ( -0.475 -2.512 2.966) 3.916 13.059 ( 4.772 -1.538 -4.282) 6.594 14.081 ( -20.172 0.960 11.163) 23.074 14.693 ( -9.220 2.987 -4.971) 10.893 15.066 ( 0.631 1.540 -2.723) 3.191 15.498 ( -0.563 -9.301 0.880) 9.359 15.859 ( 3.765 -0.581 0.402) 3.831 16.059 ( -1.398 5.069 -0.568) 5.289 16.294 ( 1.881 -4.532 1.888) 5.257 16.568 ( 2.292 7.287 -0.367) 7.648 16.944 ( 5.312 18.114 -0.361) 18.880 17.317 ( -22.254 -4.490 -2.395) 22.829 17.665 ( 6.633 -5.655 0.291) 8.721 19.424 ( 8.671 -6.347 -0.100) 10.747 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -9.958 22.257 1.763) 24.447 0.815 ( -17.138 17.426 11.439) 26.985 1.411 ( -25.691 32.403 18.262) 45.205 2.180 ( -0.351 1.437 -4.041) 4.304 2.468 ( 11.999 0.623 -13.746) 18.257 2.717 ( 0.563 -0.991 -3.748) 3.918 2.843 ( 2.224 -2.641 0.078) 3.453 3.059 ( 1.116 -4.210 1.726) 4.685 3.272 ( 4.888 0.891 -4.005) 6.382 3.368 ( 3.944 -1.769 2.514) 5.000 3.490 ( 5.324 -3.410 -2.060) 6.649 4.057 ( -1.258 -6.871 2.952) 7.584 4.217 ( 0.992 -1.148 -1.016) 1.826 4.385 ( 0.618 -3.155 2.511) 4.080 4.557 ( -1.162 1.693 2.519) 3.250 4.640 ( -0.858 2.407 7.371) 7.801 4.720 ( -6.870 10.157 1.422) 12.345 5.217 ( -1.692 -1.746 -0.875) 2.584 5.446 ( 7.559 0.165 0.802) 7.603 5.757 ( 7.938 -4.747 -2.696) 9.633 6.405 ( 0.241 -8.826 0.199) 8.831 6.528 ( 0.750 -9.152 -3.046) 9.674 6.961 ( 6.714 3.420 -3.992) 8.527 7.276 ( 7.786 -4.140 4.832) 10.056 7.355 ( 6.700 -0.960 2.810) 7.329 7.438 ( -6.017 -0.694 -3.725) 7.111 7.604 ( -5.846 1.068 -4.857) 7.675 7.848 ( -0.720 -3.873 0.146) 3.942 7.893 ( -12.742 -1.732 -7.789) 15.035 8.324 ( 0.779 -6.187 1.079) 6.328 8.544 ( 0.169 -1.427 8.432) 8.553 8.735 ( -0.145 2.336 4.113) 4.732 9.089 ( 0.574 2.670 0.310) 2.748 9.590 ( 4.304 -1.441 0.653) 4.586 9.669 ( 0.453 4.414 -1.546) 4.698 9.800 ( -2.347 -6.148 -3.580) 7.491 10.079 ( 1.539 6.875 1.197) 7.146 10.207 ( 2.933 4.717 -3.350) 6.486 10.337 ( -1.544 2.604 -4.936) 5.790 10.706 ( 1.293 4.424 -0.391) 4.626 11.058 ( -0.786 0.219 -1.015) 1.302 11.160 ( -7.471 -0.086 10.600) 12.968 11.501 ( 1.919 -4.724 2.425) 5.646 11.774 ( 4.629 0.040 2.279) 5.160 11.941 ( 0.814 2.691 -4.221) 5.072 12.696 ( 3.153 4.094 -1.244) 5.315 12.905 ( -4.904 -0.520 3.463) 6.026 13.126 ( 10.458 -0.820 -5.395) 11.796 13.849 ( -22.924 -0.093 10.943) 25.402 14.565 ( -1.781 2.562 0.441) 3.152 15.032 ( 2.270 -4.524 -6.266) 8.055 15.524 ( 2.189 -6.225 1.368) 6.739 15.894 ( -1.151 -0.768 0.827) 1.612 16.053 ( -1.258 1.938 2.651) 3.516 16.346 ( 5.120 -3.546 -5.052) 8.020 16.582 ( 1.878 2.944 -2.514) 4.303 16.901 ( -16.370 0.705 -5.506) 17.285 17.005 ( 4.311 20.656 -8.249) 22.656 17.844 ( 2.153 -5.443 16.504) 17.512 19.517 ( 4.665 -5.854 -3.247) 8.159 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 4.784 26.923 -1.567) 27.389 1.349 ( 5.932 18.071 15.528) 24.553 2.059 ( -5.463 25.186 11.547) 28.241 2.246 ( 4.834 0.716 4.405) 6.579 2.431 ( 3.747 1.574 -11.111) 11.831 2.742 ( 2.466 3.610 -4.572) 6.326 2.793 ( 0.504 -5.026 0.685) 5.098 3.026 ( -2.018 -1.259 3.894) 4.562 3.189 ( 0.996 -7.261 -8.549) 11.261 3.344 ( 0.743 -6.061 2.880) 6.752 3.385 ( -2.771 -4.613 -5.255) 7.522 3.812 ( -1.415 -12.066 -2.303) 12.365 4.263 ( -1.621 0.712 8.360) 8.545 4.449 ( 6.783 -0.404 6.157) 9.170 4.608 ( -1.278 4.322 -0.334) 4.520 4.761 ( -5.357 5.220 6.436) 9.867 4.959 ( 2.209 11.898 3.755) 12.671 5.109 ( -2.593 -2.124 -0.814) 3.449 5.499 ( 0.213 -0.962 -0.794) 1.265 5.646 ( 0.919 -8.460 -3.190) 9.088 6.243 ( -1.320 -5.723 0.731) 5.919 6.308 ( 0.453 -9.425 -0.218) 9.438 7.007 ( -2.378 -2.712 -6.854) 7.745 7.038 ( -2.360 -5.748 -8.078) 10.191 7.400 ( -2.994 2.043 -0.372) 3.644 7.458 ( -0.143 1.342 1.340) 1.902 7.617 ( 7.484 -1.699 -1.352) 7.793 7.661 ( 0.670 -0.166 -5.035) 5.082 7.804 ( 0.039 -5.813 4.589) 7.406 8.144 ( 0.599 -10.487 -1.091) 10.560 8.639 ( 1.074 -1.260 8.986) 9.137 8.784 ( -0.135 -4.404 8.842) 9.879 9.221 ( 1.176 4.584 4.899) 6.811 9.535 ( 1.134 -6.936 -5.405) 8.866 9.594 ( 0.936 -0.545 -2.120) 2.381 9.788 ( 0.876 2.370 -4.058) 4.780 10.223 ( -0.806 4.402 -3.839) 5.896 10.251 ( -3.167 7.066 0.411) 7.754 10.410 ( 0.857 6.521 -4.496) 7.967 10.765 ( -1.292 1.983 -3.252) 4.022 11.013 ( -3.719 2.766 0.432) 4.655 11.269 ( 3.488 -1.322 10.954) 11.572 11.475 ( 3.479 -6.064 3.460) 7.801 11.638 ( -4.522 -5.838 -0.300) 7.391 12.106 ( 3.086 9.491 -1.556) 10.101 12.777 ( -4.333 2.602 -5.195) 7.248 12.908 ( -0.230 4.444 3.488) 5.654 13.207 ( 6.333 -4.469 -2.317) 8.090 13.727 ( -10.279 9.949 8.405) 16.592 14.658 ( 3.590 1.259 0.520) 3.840 14.921 ( 2.347 -1.973 -1.235) 3.306 15.413 ( -1.843 -9.403 3.617) 10.241 15.832 ( -0.124 -1.818 -2.351) 2.975 15.948 ( -1.985 -7.622 -1.481) 8.014 16.258 ( -2.581 1.792 -12.719) 13.102 16.559 ( 5.779 -3.451 -6.144) 9.114 16.879 ( -0.520 9.745 3.983) 10.540 17.397 ( -0.039 16.590 -7.808) 18.336 18.027 ( 0.236 2.019 20.938) 21.037 19.330 ( 0.010 -10.513 -6.025) 12.117 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 13.653 23.720 -1.459) 27.407 1.652 ( 6.251 16.473 15.283) 23.324 2.103 ( 4.413 8.055 -4.062) 10.043 2.369 ( 1.465 7.447 -0.789) 7.630 2.432 ( 2.796 -2.936 5.846) 7.115 2.689 ( -1.895 4.481 -6.100) 7.803 2.807 ( -0.603 -5.166 2.812) 5.912 3.007 ( -3.947 -1.052 1.249) 4.272 3.084 ( -1.052 -9.437 -8.515) 12.755 3.239 ( -6.804 -1.871 -3.104) 7.709 3.395 ( -1.133 -5.201 6.621) 8.495 3.732 ( -3.879 -9.679 -3.811) 11.102 4.305 ( -2.505 5.682 4.178) 7.485 4.556 ( -1.649 4.978 1.701) 5.513 4.642 ( 3.595 3.065 4.007) 6.194 4.776 ( -1.503 0.051 10.013) 10.125 5.035 ( -0.790 4.884 3.515) 6.069 5.105 ( 3.206 1.105 0.561) 3.437 5.440 ( -5.231 -0.220 -1.027) 5.335 5.600 ( -1.084 -7.092 -3.037) 7.791 6.213 ( -2.611 -5.181 0.496) 5.823 6.327 ( 2.298 -7.840 -1.411) 8.291 6.789 ( -6.175 -5.471 -7.216) 10.960 6.996 ( 0.487 -4.808 -4.263) 6.445 7.268 ( -6.871 4.622 -1.902) 8.497 7.500 ( 1.109 -2.047 0.538) 2.389 7.637 ( 1.335 -0.414 -1.634) 2.150 7.712 ( 3.629 -3.476 -2.740) 5.723 7.887 ( 3.466 -5.247 3.020) 6.976 8.178 ( 5.752 -8.212 -0.673) 10.049 8.753 ( 1.459 -2.669 7.024) 7.654 8.894 ( -2.535 -4.631 11.941) 13.056 9.300 ( 2.312 3.790 3.105) 5.417 9.471 ( 0.230 -3.691 -7.111) 8.016 9.574 ( 0.201 0.282 -3.407) 3.424 9.752 ( 0.762 1.993 -5.626) 6.017 10.195 ( 0.252 5.714 2.853) 6.391 10.235 ( 0.584 2.294 -1.248) 2.676 10.374 ( 1.200 7.445 -1.717) 7.734 10.672 ( -2.992 2.557 -5.703) 6.930 10.998 ( -2.810 -0.838 4.682) 5.524 11.389 ( -3.059 -2.011 6.074) 7.092 11.441 ( -1.745 -2.732 -8.240) 8.855 11.708 ( 3.987 -3.635 10.923) 12.183 12.147 ( 3.510 8.856 -0.272) 9.530 12.633 ( -3.975 2.541 -6.161) 7.760 12.903 ( -3.522 5.963 0.904) 6.984 13.204 ( -4.577 -6.451 1.839) 8.121 13.813 ( 8.976 12.118 5.995) 16.228 14.739 ( 6.481 -3.506 -2.185) 7.685 14.998 ( 4.664 1.799 2.335) 5.517 15.381 ( -5.478 -8.198 2.018) 10.064 15.816 ( -0.510 -1.780 -1.487) 2.375 15.869 ( 2.130 -6.330 -11.280) 13.109 16.146 ( 2.554 -0.404 -2.154) 3.365 16.622 ( 10.609 -6.556 -8.069) 14.854 16.932 ( -1.066 13.670 6.138) 15.022 17.284 ( -2.951 19.781 -7.437) 21.339 18.241 ( -3.191 -2.317 21.314) 21.676 19.206 ( -4.614 -10.557 -9.012) 14.627 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 14.789 17.586 -1.321) 23.016 1.841 ( 0.504 12.957 8.582) 15.550 2.103 ( 7.763 0.343 -14.723) 16.648 2.290 ( -9.246 3.926 -2.920) 10.461 2.474 ( -2.820 -0.188 -3.470) 4.475 2.556 ( -4.409 -2.994 -0.729) 5.379 2.847 ( 0.769 -1.976 2.504) 3.281 2.929 ( -3.124 -5.568 -2.783) 6.965 3.006 ( -2.125 -4.261 -1.930) 5.138 3.153 ( -4.529 1.884 4.190) 6.451 3.447 ( -2.794 -4.215 7.347) 8.920 3.608 ( -5.357 -7.810 -4.199) 10.360 4.280 ( -0.519 6.380 -1.703) 6.624 4.546 ( 0.074 3.893 0.129) 3.895 4.760 ( 1.160 2.294 12.344) 12.609 4.870 ( -0.532 -0.218 4.281) 4.319 5.031 ( -3.414 -1.878 3.445) 5.201 5.157 ( -1.037 3.669 2.053) 4.331 5.358 ( -1.370 -0.271 -0.926) 1.675 5.572 ( 1.025 -3.268 -1.865) 3.900 6.171 ( -2.550 -3.293 -0.412) 4.185 6.346 ( 1.821 -4.866 -0.849) 5.265 6.694 ( 2.174 -6.475 -3.316) 7.593 6.962 ( -1.190 -7.020 -0.582) 7.144 7.167 ( -4.968 3.647 1.529) 6.350 7.484 ( -4.040 -2.894 0.718) 5.021 7.619 ( -0.626 -0.769 -3.175) 3.326 7.724 ( 1.625 -8.199 -1.795) 8.549 7.969 ( 4.744 -2.465 1.178) 5.474 8.286 ( 6.938 -5.450 -2.058) 9.059 8.831 ( -1.534 -2.601 5.719) 6.467 8.938 ( -4.989 -2.525 8.187) 9.914 9.326 ( -0.440 1.256 -9.182) 9.277 9.380 ( 2.073 1.967 -5.151) 5.891 9.577 ( 1.263 3.380 1.591) 3.943 9.693 ( 0.093 2.465 -3.871) 4.590 10.230 ( 4.428 1.754 -1.822) 5.100 10.302 ( 3.381 2.944 5.417) 7.031 10.408 ( 0.382 6.703 -0.047) 6.714 10.612 ( 2.297 1.069 1.372) 2.881 10.985 ( -4.360 -4.398 2.951) 6.860 11.241 ( -9.226 3.324 -6.714) 11.885 11.395 ( -1.666 -5.311 0.087) 5.567 11.864 ( 1.588 -3.626 4.471) 5.972 12.248 ( 5.546 10.556 5.915) 13.310 12.533 ( 0.298 4.502 -5.843) 7.382 12.820 ( -5.990 5.552 -0.747) 8.201 13.154 ( -5.015 -7.487 4.027) 9.871 14.090 ( 15.711 11.395 5.305) 20.120 14.811 ( 7.093 -4.914 -5.301) 10.127 15.051 ( -3.015 2.490 2.349) 4.562 15.334 ( 0.208 -2.316 0.144) 2.330 15.703 ( -0.986 -4.749 -9.256) 10.450 15.869 ( 3.489 0.253 -2.653) 4.391 16.290 ( 10.713 -3.578 5.109) 12.397 16.711 ( 10.120 -8.561 -6.850) 14.921 16.961 ( -3.139 17.053 4.547) 17.926 17.152 ( -2.443 18.186 -6.454) 19.452 18.398 ( -5.659 -5.986 19.322) 21.004 18.984 ( -8.042 -11.361 -11.257) 17.902 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.173 9.571 -4.427) 10.546 1.902 ( -1.486 1.989 -1.670) 2.993 2.016 ( 4.022 5.104 -6.828) 9.426 2.069 ( -4.788 2.354 -7.071) 8.858 2.415 ( 2.204 2.615 -5.177) 6.205 2.527 ( -3.909 -7.429 5.391) 9.977 2.826 ( -1.288 -0.826 -3.144) 3.496 2.882 ( -2.276 -2.379 0.268) 3.303 2.936 ( -5.620 -2.163 0.249) 6.027 3.113 ( -5.870 2.577 2.258) 6.797 3.406 ( -7.660 -4.948 -2.818) 9.545 3.508 ( -4.022 -4.367 3.654) 6.971 4.307 ( 5.787 1.900 -0.407) 6.105 4.584 ( 4.763 -0.049 0.008) 4.763 4.814 ( -3.236 -2.292 -3.166) 5.074 4.947 ( -1.102 1.408 10.832) 10.978 5.019 ( -2.854 -0.666 7.440) 7.997 5.121 ( -2.905 2.798 0.403) 4.053 5.364 ( 1.196 -2.148 -2.186) 3.290 5.563 ( -0.193 -1.842 -2.572) 3.170 6.125 ( -1.705 -1.324 -0.617) 2.245 6.395 ( 3.576 -1.966 2.433) 4.751 6.756 ( 6.973 -4.797 -1.275) 8.559 6.954 ( -0.517 -6.570 2.406) 7.016 7.131 ( -4.233 1.174 4.563) 6.334 7.394 ( -6.117 -0.633 -1.433) 6.314 7.553 ( -2.922 -3.302 -2.332) 4.988 7.719 ( 0.225 -11.558 -2.393) 11.806 8.089 ( 5.516 0.603 4.701) 7.273 8.305 ( 1.259 -3.474 -7.445) 8.311 8.816 ( -5.370 0.221 4.876) 7.257 8.974 ( 0.376 -0.646 3.708) 3.783 9.145 ( -4.106 6.814 -10.530) 13.198 9.377 ( 1.787 2.005 -5.008) 5.683 9.585 ( 0.026 1.058 -0.312) 1.103 9.736 ( 4.611 1.988 2.677) 5.690 10.316 ( 5.193 1.689 -0.166) 5.463 10.385 ( 4.171 4.238 -3.139) 6.724 10.438 ( 4.286 4.304 5.329) 8.080 10.734 ( 2.848 -3.347 4.963) 6.629 10.932 ( -4.368 1.820 0.774) 4.795 11.003 ( -9.382 0.497 -4.080) 10.242 11.381 ( -0.519 -5.982 0.810) 6.059 11.852 ( -3.769 -3.038 -1.321) 5.018 12.380 ( 0.862 8.429 0.991) 8.530 12.546 ( 7.228 7.569 0.176) 10.467 12.714 ( -5.292 4.029 -0.093) 6.652 13.129 ( -3.434 -7.619 3.438) 9.037 14.422 ( 16.596 8.913 5.024) 19.496 14.833 ( 3.293 -3.568 -6.943) 8.472 15.005 ( -3.802 -0.202 3.850) 5.415 15.384 ( 3.349 4.387 2.149) 5.923 15.619 ( 0.556 -3.769 -5.344) 6.563 15.898 ( 3.798 4.129 -2.551) 6.163 16.484 ( 3.158 5.551 2.178) 6.748 16.803 ( 5.487 -7.339 -0.897) 9.207 16.938 ( 2.850 14.265 -5.056) 15.400 17.118 ( 2.793 8.855 2.321) 9.571 18.482 ( -7.295 -9.127 13.617) 17.943 18.706 ( -9.390 -13.142 -11.029) 19.559 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -1.468 7.472 0.900) 7.667 1.791 ( -3.482 -0.907 -4.648) 5.878 1.935 ( -4.864 1.738 -3.098) 6.023 2.140 ( 12.320 -0.460 -7.626) 14.497 2.393 ( 0.898 -1.340 -1.929) 2.515 2.548 ( -2.010 -4.357 6.926) 8.426 2.772 ( -5.048 -2.100 -0.426) 5.484 2.825 ( -5.769 4.411 -1.272) 7.373 2.854 ( -0.869 -2.167 2.433) 3.372 3.035 ( -3.936 4.184 0.465) 5.764 3.209 ( -8.957 -1.573 -5.168) 10.460 3.497 ( -3.542 -4.411 3.998) 6.927 4.438 ( 9.300 -1.646 -0.651) 9.467 4.680 ( 4.399 -4.866 -2.883) 7.165 4.732 ( 1.515 -2.198 -1.472) 3.049 4.945 ( -4.599 1.393 4.103) 6.319 5.054 ( -1.048 -1.447 -1.456) 2.305 5.149 ( 1.117 1.798 4.666) 5.123 5.286 ( -5.521 -4.339 -5.432) 8.877 5.494 ( -3.420 -4.444 -3.689) 6.712 6.114 ( 0.236 -0.192 0.621) 0.692 6.506 ( 4.659 0.345 3.654) 5.931 6.874 ( 8.705 -1.269 -0.163) 8.799 6.989 ( -0.571 -1.622 2.826) 3.308 7.107 ( -4.068 -2.903 2.961) 5.809 7.263 ( -6.228 3.615 -2.378) 7.583 7.490 ( -3.142 -7.636 0.399) 8.266 7.681 ( -1.034 -12.884 -2.439) 13.153 8.176 ( -2.171 -1.861 -8.548) 9.014 8.244 ( 3.420 0.547 5.517) 6.514 8.836 ( 0.652 3.890 6.893) 7.942 8.909 ( -2.983 7.403 -9.575) 12.465 9.046 ( -2.414 7.061 -1.267) 7.569 9.362 ( 2.228 -0.038 0.229) 2.240 9.606 ( 1.127 -3.433 1.139) 3.788 9.849 ( 5.076 2.136 2.192) 5.927 10.346 ( 0.114 1.654 -1.031) 1.953 10.475 ( 7.667 5.846 -2.259) 9.902 10.567 ( 1.892 1.728 4.155) 4.882 10.688 ( 0.087 5.184 -7.993) 9.527 10.855 ( -5.282 -5.691 2.000) 8.018 10.966 ( -2.190 -0.719 6.799) 7.179 11.400 ( 0.982 -4.424 1.924) 4.923 11.755 ( -5.075 -2.880 -1.162) 5.949 12.346 ( -0.443 8.370 -3.384) 9.039 12.609 ( -0.679 3.419 -2.171) 4.107 12.730 ( 3.865 4.072 4.231) 7.030 13.103 ( -2.923 -5.690 0.585) 6.424 14.666 ( 7.782 1.529 -4.336) 9.039 14.854 ( 6.026 3.327 5.795) 8.998 15.032 ( -0.401 -3.060 6.146) 6.877 15.457 ( -2.267 5.293 4.340) 7.210 15.604 ( 3.617 0.863 -0.787) 3.801 15.937 ( 5.635 10.704 -4.235) 12.816 16.446 ( -5.818 13.092 0.250) 14.328 16.796 ( -4.044 10.965 -0.707) 11.708 16.980 ( 10.775 -2.634 -10.477) 15.258 17.298 ( 8.109 -1.434 8.554) 11.873 18.383 ( -6.206 -16.624 -9.794) 20.268 18.532 ( -8.788 -11.547 7.393) 16.285 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.552 5.185 8.720) 10.160 1.712 ( -4.704 -1.035 0.354) 4.829 1.831 ( 5.242 1.692 -1.528) 5.717 2.241 ( 12.544 -2.039 -9.786) 16.040 2.400 ( -1.720 -6.096 1.400) 6.487 2.578 ( -4.258 -2.077 2.466) 5.341 2.704 ( -0.076 -0.779 1.691) 1.863 2.726 ( -6.395 2.732 6.132) 9.272 2.919 ( 4.268 2.603 -0.035) 4.999 2.976 ( -5.754 2.222 -2.854) 6.796 3.091 ( 1.442 2.489 3.707) 4.692 3.466 ( -3.897 -4.260 1.013) 5.862 4.549 ( 6.227 -2.415 -4.062) 7.817 4.640 ( 0.319 -1.540 -4.256) 4.538 4.828 ( 3.000 -2.663 1.103) 4.161 4.906 ( -2.434 -1.699 -1.982) 3.570 5.013 ( 2.188 -3.100 -8.422) 9.237 5.086 ( -9.117 -5.160 -3.212) 10.957 5.176 ( 0.673 0.189 -2.073) 2.188 5.402 ( -1.383 -6.648 -3.721) 7.743 6.137 ( 0.474 -0.123 2.132) 2.187 6.585 ( 0.401 0.773 1.237) 1.513 6.943 ( -3.043 4.436 -3.018) 6.168 7.043 ( 7.825 0.930 2.440) 8.249 7.067 ( -3.468 -6.592 0.090) 7.449 7.169 ( -3.296 4.430 1.079) 5.626 7.459 ( -2.348 -9.397 2.139) 9.919 7.651 ( 0.902 -12.987 -1.742) 13.134 8.044 ( -0.323 -1.240 -8.735) 8.828 8.359 ( 1.305 -2.972 6.820) 7.553 8.764 ( -2.604 7.486 -6.623) 10.329 8.956 ( -0.609 6.296 -5.982) 8.706 9.001 ( 4.952 10.426 10.345) 15.500 9.453 ( 1.595 0.464 7.514) 7.696 9.628 ( -0.010 -3.670 1.343) 3.908 9.920 ( 0.515 2.742 -0.005) 2.790 10.298 ( -0.604 -0.251 -4.316) 4.366 10.506 ( -0.935 5.057 -7.273) 8.908 10.567 ( 5.964 5.400 -1.947) 8.278 10.747 ( -0.591 3.413 3.885) 5.205 10.801 ( 0.866 -7.684 0.513) 7.750 10.969 ( -5.518 -1.958 4.583) 7.435 11.443 ( 0.457 -0.391 2.804) 2.868 11.696 ( -1.869 -2.975 1.717) 3.911 12.331 ( 1.766 7.885 -0.833) 8.123 12.581 ( 0.279 1.803 -1.464) 2.339 12.796 ( 0.496 2.340 0.093) 2.394 13.036 ( -2.955 -4.462 -3.589) 6.444 14.693 ( 4.848 1.323 -3.300) 6.012 15.033 ( -2.015 1.211 13.097) 13.306 15.149 ( 5.737 -2.690 6.489) 9.070 15.360 ( -10.365 5.542 -0.297) 11.757 15.693 ( 1.958 4.788 3.605) 6.305 16.027 ( 9.941 16.864 0.073) 19.576 16.366 ( -4.678 11.017 0.698) 11.989 16.707 ( -2.777 15.038 -3.086) 15.600 17.028 ( 8.358 -6.702 -9.580) 14.372 17.431 ( -1.525 -1.689 1.193) 2.570 18.259 ( 3.973 -20.610 -5.356) 21.662 18.457 ( -8.193 -12.344 3.804) 15.296 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -3.444 -0.784 0.303) 3.545 1.784 ( 6.686 0.729 2.389) 7.137 2.091 ( 7.600 3.026 10.265) 13.126 2.322 ( 4.523 -1.835 -3.580) 6.053 2.353 ( -3.589 -0.604 1.483) 3.930 2.498 ( -0.395 -2.103 -1.943) 2.891 2.772 ( 1.785 3.063 7.050) 7.891 2.804 ( 4.464 2.816 3.526) 6.348 2.857 ( -2.459 2.262 -1.283) 3.579 2.974 ( 2.622 2.437 -0.991) 3.715 3.246 ( 5.218 -3.252 7.643) 9.809 3.406 ( -1.830 -3.609 -0.497) 4.076 4.507 ( -2.172 -0.437 -9.357) 9.616 4.621 ( 4.161 1.429 -6.877) 8.164 4.749 ( -9.364 -2.911 -11.328) 14.983 4.795 ( -4.615 -0.799 -3.903) 6.097 4.872 ( -0.247 -5.262 0.353) 5.279 5.090 ( -1.788 -0.897 -0.006) 2.000 5.157 ( 7.849 -5.638 -6.982) 11.923 5.403 ( 6.058 -6.137 -3.299) 9.233 6.179 ( -0.193 -1.129 4.876) 5.009 6.538 ( -5.292 0.551 -0.877) 5.393 6.890 ( 1.403 5.450 -2.458) 6.142 6.981 ( -4.727 -6.785 -1.923) 8.490 7.040 ( -6.716 -0.049 0.143) 6.717 7.277 ( 8.612 4.004 3.226) 10.030 7.460 ( 0.059 -8.582 0.998) 8.640 7.692 ( 4.995 -13.205 0.791) 14.140 7.977 ( 1.016 -3.120 -4.758) 5.780 8.433 ( 0.980 -6.852 1.998) 7.204 8.677 ( -1.620 7.981 -2.644) 8.562 8.879 ( 0.199 4.931 -5.970) 7.746 9.236 ( 6.075 11.419 12.385) 17.907 9.535 ( -1.020 2.380 5.320) 5.917 9.654 ( -1.200 -0.268 5.061) 5.208 9.852 ( -4.917 3.319 -2.876) 6.592 10.280 ( 2.915 -0.693 -3.369) 4.509 10.398 ( -1.347 5.252 -8.423) 10.018 10.597 ( -1.711 -0.433 -2.946) 3.434 10.691 ( 0.115 -6.772 -3.103) 7.450 10.899 ( -1.675 1.817 3.889) 4.608 10.936 ( 0.495 0.528 6.671) 6.710 11.477 ( -1.769 2.379 5.518) 6.264 11.719 ( 2.172 -1.657 0.597) 2.796 12.369 ( 1.436 6.711 0.790) 6.908 12.573 ( 1.209 5.246 -3.517) 6.431 12.762 ( -3.374 0.806 0.440) 3.497 12.947 ( -0.263 -7.103 -6.203) 9.434 14.783 ( 6.367 3.691 2.251) 7.696 15.082 ( -17.943 7.647 0.532) 19.512 15.113 ( -4.948 -1.452 12.275) 13.314 15.322 ( 3.175 3.007 2.273) 4.928 15.763 ( 0.348 -1.183 6.780) 6.892 16.211 ( -0.823 12.804 6.641) 14.447 16.310 ( 4.573 14.967 -1.335) 15.707 16.667 ( 3.716 14.818 -5.349) 16.186 17.005 ( -0.430 -11.163 -8.528) 14.054 17.332 ( -2.659 -0.723 -4.793) 5.528 18.232 ( -7.711 -13.149 -3.630) 15.670 18.487 ( 11.092 -17.257 2.964) 20.727 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 2.360 1.240 -2.641) 3.753 1.953 ( 8.234 4.527 0.282) 9.400 2.145 ( -5.336 8.521 -0.356) 10.060 2.289 ( -1.636 -1.396 5.020) 5.461 2.414 ( 3.996 -3.746 5.886) 8.041 2.571 ( 5.680 0.203 -2.387) 6.165 2.827 ( 1.222 4.347 0.723) 4.573 2.861 ( -0.345 3.072 3.204) 4.452 2.950 ( 5.618 1.237 2.560) 6.297 2.982 ( 0.678 -1.403 -0.757) 1.732 3.280 ( -1.772 -3.890 -1.770) 4.626 3.520 ( 6.713 -6.537 7.924) 12.271 4.329 ( -2.211 1.108 -13.282) 13.511 4.485 ( -3.107 -0.932 -10.629) 11.113 4.574 ( -1.126 0.664 -7.170) 7.288 4.722 ( -1.981 1.323 0.226) 2.393 4.934 ( 4.658 -6.587 2.549) 8.460 5.025 ( -0.003 1.737 -3.089) 3.544 5.225 ( 5.418 -4.531 -4.381) 8.311 5.480 ( 6.824 -3.451 -3.726) 8.506 6.225 ( -2.222 -2.284 5.409) 6.278 6.450 ( -3.411 -3.174 0.720) 4.715 6.883 ( -1.689 -1.681 -2.839) 3.707 6.912 ( -6.802 -2.326 -1.435) 7.331 6.952 ( 4.412 1.660 2.138) 5.176 7.417 ( 3.304 -1.002 2.152) 4.068 7.492 ( 4.793 -3.685 -0.783) 6.096 7.811 ( 5.769 -12.785 2.548) 14.256 7.958 ( -0.115 -5.304 -0.565) 5.336 8.421 ( -0.240 -9.793 -4.689) 10.860 8.644 ( -0.370 6.459 -1.354) 6.609 8.818 ( -0.972 3.673 -4.149) 5.625 9.429 ( 1.614 7.015 6.113) 9.444 9.551 ( -2.096 7.418 2.167) 8.007 9.658 ( -3.152 2.162 3.824) 5.406 9.795 ( -1.455 3.255 4.605) 5.824 10.263 ( 0.034 2.605 -6.886) 7.362 10.296 ( -0.107 1.638 -5.006) 5.268 10.476 ( -5.278 -2.842 -3.671) 7.030 10.698 ( 0.570 -4.837 1.758) 5.178 10.890 ( -0.920 1.862 2.137) 2.980 11.079 ( 5.186 0.751 5.501) 7.597 11.510 ( -2.822 2.580 7.037) 8.009 11.751 ( 2.211 -0.562 -2.755) 3.577 12.321 ( -5.184 12.075 -4.345) 13.840 12.560 ( 1.881 5.661 -1.098) 6.066 12.749 ( 0.036 -3.644 1.752) 4.043 12.909 ( 3.093 -7.743 -4.032) 9.261 14.762 ( -19.455 12.400 0.263) 23.072 14.925 ( 3.718 3.489 4.140) 6.568 15.153 ( -5.120 0.960 10.429) 11.658 15.362 ( -1.818 -1.270 3.321) 3.993 15.812 ( -2.266 0.399 2.507) 3.403 16.165 ( -5.921 1.231 6.257) 8.702 16.396 ( -0.078 9.168 -6.205) 11.071 16.701 ( 6.474 14.495 -4.032) 16.380 16.903 ( 0.399 -4.695 1.312) 4.891 17.314 ( 4.023 0.906 -2.574) 4.861 17.995 ( -10.264 -10.634 -10.326) 18.029 18.755 ( 14.515 -15.301 4.030) 21.471 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -3.512 10.676 -6.360) 12.913 1.838 ( -12.904 15.474 -8.335) 21.804 2.189 ( 11.093 4.812 -2.605) 12.369 2.421 ( 2.727 -0.435 4.082) 4.928 2.509 ( -2.315 -0.078 3.776) 4.430 2.534 ( -2.685 0.818 -2.772) 3.945 2.814 ( -2.875 1.139 -1.519) 3.445 2.888 ( 3.196 0.219 0.416) 3.230 2.983 ( 3.851 -1.985 2.207) 4.862 3.098 ( 6.292 -0.790 2.868) 6.960 3.250 ( 1.730 -3.901 -1.919) 4.679 3.696 ( 4.083 -10.325 6.315) 12.774 4.189 ( -0.003 -0.524 -7.311) 7.329 4.366 ( 2.927 -1.202 -13.433) 13.801 4.543 ( 1.952 2.561 2.091) 3.840 4.684 ( -2.463 2.338 -0.241) 3.404 5.043 ( 2.649 0.174 3.612) 4.482 5.069 ( 6.369 -0.281 0.756) 6.420 5.242 ( 2.986 -1.776 -2.652) 4.371 5.524 ( 3.834 -0.993 -3.915) 5.569 6.217 ( -2.586 -4.155 1.747) 5.197 6.447 ( -1.930 -7.583 3.115) 8.421 6.816 ( -2.658 -3.194 1.292) 4.351 6.867 ( 3.637 -3.345 -2.179) 5.400 7.090 ( 6.957 3.736 4.070) 8.884 7.456 ( 1.191 -4.685 0.266) 4.841 7.582 ( 5.920 -1.129 -0.725) 6.070 7.901 ( -2.357 -11.258 5.907) 12.931 7.946 ( 1.234 -5.057 -2.218) 5.658 8.330 ( -2.576 -11.714 -7.766) 14.288 8.613 ( -0.726 4.080 -2.936) 5.079 8.761 ( -1.421 2.638 -1.431) 3.321 9.350 ( -6.123 4.791 -6.086) 9.874 9.554 ( -1.364 5.058 1.501) 5.449 9.695 ( -1.555 -0.794 4.883) 5.186 9.855 ( 0.311 5.823 5.016) 7.692 10.183 ( -0.818 6.014 -2.852) 6.706 10.255 ( 0.971 -1.152 -3.580) 3.884 10.403 ( -0.478 2.423 0.072) 2.471 10.734 ( -1.468 0.914 4.781) 5.084 10.924 ( 2.163 -1.487 2.071) 3.343 11.196 ( 4.000 -2.320 0.585) 4.661 11.542 ( -1.155 1.090 3.610) 3.944 11.698 ( -4.370 0.775 -2.955) 5.332 12.191 ( -2.725 14.162 -4.412) 15.081 12.597 ( 2.417 2.013 1.173) 3.357 12.786 ( 2.972 -4.318 0.392) 5.257 12.951 ( 4.053 -4.516 -0.211) 6.072 14.455 ( -19.201 11.800 2.506) 22.676 14.934 ( -6.883 2.724 1.459) 7.545 15.194 ( -3.804 6.477 6.765) 10.109 15.342 ( -3.866 -6.090 2.497) 7.633 15.785 ( 0.238 -0.043 -0.931) 0.962 16.138 ( -5.831 -6.681 -0.108) 8.868 16.251 ( -2.408 3.222 -2.411) 4.690 16.728 ( 2.680 8.539 -4.215) 9.892 17.097 ( 6.828 3.514 14.511) 16.418 17.357 ( 0.926 7.098 1.358) 7.286 17.689 ( -5.566 -7.641 -18.702) 20.955 19.024 ( 12.931 -13.278 2.784) 18.742 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -6.498 20.064 -6.941) 22.203 1.487 ( -14.263 18.661 -10.976) 25.926 2.185 ( -11.850 14.611 2.472) 18.974 2.363 ( -8.704 2.415 -3.545) 9.704 2.455 ( 10.065 7.012 -7.465) 14.359 2.610 ( 2.890 -4.321 5.575) 7.622 2.787 ( 1.170 -1.100 -3.592) 3.934 2.924 ( 2.506 -3.669 1.176) 4.596 3.162 ( 8.748 -3.111 2.305) 9.566 3.217 ( 5.066 -2.114 1.228) 5.625 3.300 ( 5.352 -4.645 0.807) 7.132 3.794 ( 2.324 -12.733 2.105) 13.113 4.161 ( 0.834 -2.314 -0.074) 2.461 4.279 ( 3.212 -3.169 -8.926) 10.002 4.629 ( 1.512 2.705 4.028) 5.081 4.657 ( -0.606 6.330 1.665) 6.573 5.040 ( -5.308 6.627 1.280) 8.586 5.198 ( 2.498 -0.772 3.566) 4.422 5.308 ( 7.487 -0.422 -0.889) 7.551 5.550 ( 5.277 -3.456 -2.885) 6.936 6.206 ( -0.051 -6.327 0.484) 6.346 6.409 ( -4.559 -8.115 0.588) 9.327 6.865 ( 5.722 -2.894 0.961) 6.484 6.962 ( 7.163 -5.498 2.505) 9.370 7.254 ( 7.326 4.162 3.706) 9.205 7.470 ( 0.593 -3.484 -0.922) 3.653 7.659 ( 3.674 -2.217 -0.320) 4.303 7.820 ( -9.577 -5.089 0.632) 10.864 7.958 ( -1.141 -8.898 -1.799) 9.149 8.183 ( -3.277 -9.655 -5.600) 11.632 8.557 ( -2.727 2.761 -0.975) 4.002 8.743 ( -1.061 0.162 0.809) 1.344 9.205 ( -3.017 4.785 -4.053) 6.959 9.532 ( -0.298 0.385 -1.464) 1.543 9.679 ( -1.986 -3.341 -1.281) 4.092 9.872 ( -1.780 3.679 0.332) 4.100 10.196 ( 0.951 7.968 3.270) 8.665 10.264 ( 2.670 2.154 -0.655) 3.493 10.440 ( 1.885 5.548 1.631) 6.082 10.753 ( 0.865 3.163 0.403) 3.304 10.992 ( -0.207 -2.207 6.169) 6.555 11.218 ( 0.659 -3.726 -2.750) 4.678 11.465 ( -4.529 -0.238 -6.858) 8.222 11.668 ( -1.665 -0.687 6.912) 7.143 12.127 ( 0.060 11.312 -4.286) 12.096 12.682 ( 4.994 1.699 3.350) 6.249 12.848 ( 3.764 -2.372 -0.099) 4.450 13.015 ( 3.524 -2.346 0.156) 4.236 14.182 ( -20.160 9.164 6.003) 22.944 14.781 ( -8.580 5.188 -3.112) 10.498 15.105 ( -8.691 0.810 -1.304) 8.825 15.341 ( -0.504 -5.499 3.207) 6.386 15.815 ( 2.828 -3.102 0.108) 4.199 16.035 ( -3.846 -5.229 -0.039) 6.491 16.276 ( 3.173 2.198 1.391) 4.103 16.705 ( 0.599 5.726 -4.738) 7.456 17.170 ( -17.750 -8.831 4.999) 20.446 17.459 ( 10.879 27.559 0.933) 29.644 17.508 ( 5.754 -8.399 -6.068) 11.852 19.230 ( 9.538 -11.883 0.334) 15.241 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -8.864 21.878 1.361) 23.644 1.237 ( -2.193 24.749 -3.676) 25.116 2.061 ( -10.261 24.808 9.980) 28.641 2.212 ( -4.843 3.200 0.459) 5.823 2.492 ( 7.646 1.788 -14.106) 16.144 2.706 ( 2.766 -0.535 2.770) 3.951 2.778 ( 2.929 -2.080 -3.538) 5.042 2.989 ( 1.094 -2.883 3.723) 4.834 3.232 ( 3.337 -4.546 -5.099) 7.603 3.294 ( 2.667 -5.141 1.307) 5.938 3.409 ( 4.926 -3.799 -1.473) 6.393 3.830 ( 1.065 -14.017 -0.610) 14.071 4.194 ( 0.298 -1.780 4.558) 4.902 4.304 ( 4.369 -3.810 1.951) 6.116 4.631 ( -0.450 4.221 -0.921) 4.344 4.729 ( -0.492 7.028 7.635) 10.388 4.956 ( -4.661 10.556 0.684) 11.560 5.181 ( -5.102 -0.438 0.842) 5.190 5.442 ( 7.116 -0.722 -0.170) 7.155 5.623 ( 5.417 -7.382 -2.207) 9.418 6.226 ( 1.502 -6.920 0.573) 7.104 6.340 ( -3.720 -8.186 0.109) 8.992 6.974 ( 8.260 -1.575 -3.990) 9.307 7.116 ( 4.546 -8.068 3.149) 9.781 7.397 ( 6.029 2.046 -2.770) 6.943 7.441 ( -2.337 1.117 1.831) 3.172 7.607 ( -5.646 -1.033 -2.868) 6.416 7.743 ( 1.204 -5.629 -1.277) 5.896 7.825 ( -8.229 -4.498 -2.572) 9.724 8.147 ( 0.676 -10.060 -0.738) 10.110 8.543 ( -1.043 1.034 5.763) 5.947 8.736 ( -1.993 -1.829 3.353) 4.308 9.171 ( 0.146 4.678 1.327) 4.864 9.533 ( 3.517 -4.287 -3.350) 6.478 9.629 ( -1.500 -2.860 -2.117) 3.861 9.828 ( -1.038 2.520 -2.845) 3.940 10.236 ( 0.993 6.811 -0.071) 6.883 10.301 ( -0.759 5.764 1.977) 6.141 10.441 ( 0.026 6.728 -3.601) 7.632 10.782 ( 2.383 2.078 -1.516) 3.507 11.055 ( 0.411 -0.830 4.060) 4.164 11.163 ( -4.472 0.141 1.887) 4.856 11.391 ( 1.255 -4.652 0.897) 4.901 11.700 ( -2.393 -5.799 2.346) 6.698 12.092 ( 1.462 10.702 -3.357) 11.311 12.809 ( 4.608 5.766 2.364) 7.751 12.879 ( -0.712 -2.038 0.360) 2.189 13.091 ( 7.842 -2.110 -1.837) 8.326 13.917 ( -20.826 7.469 7.721) 23.433 14.649 ( -2.400 5.193 -2.086) 6.089 14.963 ( -4.297 -2.755 -2.888) 5.865 15.379 ( 0.661 -7.100 2.931) 7.710 15.846 ( 0.951 -3.955 -0.688) 4.125 15.991 ( -3.323 -5.214 1.418) 6.344 16.344 ( 5.053 2.138 -4.127) 6.865 16.625 ( -3.190 0.661 -6.363) 7.148 16.922 ( -8.458 2.166 -2.068) 8.972 17.460 ( 4.347 11.625 -9.761) 15.790 17.765 ( 4.407 6.574 18.614) 20.227 19.338 ( 4.998 -10.983 -2.761) 12.378 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 4.893 18.415 7.184) 20.363 1.734 ( 6.313 18.742 -3.317) 20.053 2.205 ( 5.152 -2.882 4.958) 7.709 2.426 ( -0.204 2.335 -10.244) 10.509 2.490 ( -4.429 5.065 2.406) 7.146 2.748 ( -0.524 3.838 0.778) 3.951 2.822 ( 1.299 4.056 -1.022) 4.380 2.949 ( -1.030 -9.883 -7.291) 12.324 3.044 ( 0.426 -1.811 -1.270) 2.253 3.220 ( -1.230 -5.186 2.685) 5.968 3.280 ( -0.883 -4.032 -5.162) 6.609 3.549 ( 0.431 -12.239 2.113) 12.427 4.267 ( 0.499 0.890 12.076) 12.119 4.406 ( 5.667 -3.618 12.187) 13.919 4.743 ( -0.391 7.729 -1.513) 7.885 4.884 ( -3.778 4.495 1.991) 6.201 5.134 ( -1.865 5.176 0.187) 5.505 5.189 ( -0.722 7.810 2.635) 8.274 5.465 ( 1.146 -3.251 -1.682) 3.835 5.484 ( 0.128 -4.414 -1.730) 4.743 6.135 ( -0.908 -6.360 0.298) 6.431 6.153 ( -0.365 -3.598 -0.289) 3.628 6.911 ( -5.556 -3.984 -7.456) 10.116 6.950 ( 1.700 -3.775 -7.017) 8.148 7.458 ( -2.969 3.788 -0.456) 4.834 7.502 ( -1.126 2.426 0.060) 2.676 7.552 ( 3.602 -2.535 1.372) 4.613 7.641 ( 2.418 -2.432 -1.430) 3.716 7.683 ( 0.736 -4.861 2.959) 5.738 7.903 ( 1.294 -11.743 -1.203) 11.876 8.631 ( -0.022 0.394 7.722) 7.732 8.700 ( -0.961 -3.078 8.152) 8.766 9.309 ( 1.936 3.787 2.114) 4.749 9.429 ( 2.280 -3.131 -4.419) 5.877 9.593 ( 0.721 0.539 -2.021) 2.212 9.749 ( 0.847 -5.090 -4.018) 6.539 10.339 ( -1.949 5.420 -2.283) 6.195 10.373 ( -4.583 4.067 -1.997) 6.445 10.548 ( 0.362 6.370 -4.342) 7.717 10.756 ( -1.062 -2.545 -3.207) 4.230 11.095 ( -2.347 4.409 2.047) 5.398 11.230 ( 5.195 -2.368 7.320) 9.283 11.381 ( 4.833 -2.030 0.381) 5.256 11.512 ( -2.435 -5.857 1.154) 6.447 12.347 ( -0.229 12.661 0.378) 12.668 12.762 ( -3.789 -4.344 -2.558) 6.307 13.004 ( 0.199 4.026 3.660) 5.445 13.123 ( 0.717 -3.052 1.747) 3.589 14.017 ( -2.851 16.656 2.248) 17.047 14.630 ( 2.634 -6.338 -6.460) 9.425 14.924 ( 0.486 3.081 6.766) 7.450 15.224 ( -2.235 -8.365 2.825) 9.107 15.755 ( 2.363 -3.493 -4.410) 6.102 15.829 ( -2.345 -4.175 -3.374) 5.858 16.306 ( -3.681 2.947 -10.122) 11.166 16.475 ( 1.431 -4.364 -6.591) 8.033 17.092 ( 2.257 10.292 7.663) 13.028 17.485 ( 2.233 -5.592 5.905) 8.433 18.289 ( -0.524 19.765 4.920) 20.375 19.063 ( -0.291 -14.741 -4.770) 15.497 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 8.562 19.077 -3.154) 21.146 1.958 ( 9.845 12.517 9.616) 18.603 2.266 ( -1.236 8.247 -12.849) 15.317 2.342 ( 1.691 -4.908 2.444) 5.738 2.478 ( 0.288 -1.361 0.898) 1.656 2.713 ( -2.944 -4.489 -1.922) 5.702 2.758 ( -5.372 -0.745 -5.523) 7.740 2.846 ( -1.260 -4.360 -3.527) 5.748 3.014 ( -3.333 -0.633 0.471) 3.426 3.188 ( -2.756 -4.702 1.593) 5.678 3.290 ( 0.130 -1.772 4.547) 4.881 3.531 ( -2.996 -9.056 -1.094) 9.601 4.420 ( 0.763 5.673 11.525) 12.869 4.630 ( 2.053 -0.674 8.701) 8.965 4.724 ( 0.870 4.982 4.083) 6.500 4.834 ( -4.107 4.764 1.522) 6.472 5.062 ( -5.011 3.712 -0.288) 6.243 5.241 ( 0.357 5.599 3.410) 6.565 5.418 ( -4.110 -1.989 -1.866) 4.933 5.459 ( 0.395 -5.535 -2.429) 6.058 6.106 ( -0.647 -4.452 -0.041) 4.499 6.192 ( 3.943 -5.314 -0.135) 6.618 6.707 ( -6.677 -1.472 -6.966) 9.761 6.867 ( -1.962 -6.791 -5.827) 9.161 7.353 ( -6.629 3.559 -1.291) 7.634 7.477 ( -2.758 -0.433 1.101) 3.001 7.583 ( -1.763 -4.075 -1.236) 4.609 7.629 ( 0.407 -2.953 0.188) 2.987 7.816 ( 8.171 -1.665 0.366) 8.347 7.992 ( 9.481 -8.864 1.026) 13.019 8.722 ( 1.252 0.083 6.312) 6.436 8.814 ( -0.877 -3.104 11.718) 12.154 9.367 ( 2.845 2.375 -0.088) 3.707 9.409 ( 2.707 -1.552 -6.430) 7.147 9.587 ( 1.294 0.854 -1.301) 2.024 9.725 ( 2.288 -3.932 -4.546) 6.431 10.285 ( -2.779 2.845 -1.657) 4.308 10.302 ( -0.537 2.960 0.166) 3.012 10.513 ( 0.670 5.775 -2.061) 6.168 10.682 ( -2.073 -1.591 -4.613) 5.302 11.052 ( -4.523 5.401 0.925) 7.105 11.314 ( -3.813 -5.247 3.299) 7.277 11.423 ( 3.146 1.787 -3.532) 5.056 11.617 ( 6.578 -5.069 6.987) 10.852 12.365 ( 1.679 10.956 1.856) 11.239 12.659 ( -3.049 -0.971 -3.208) 4.531 13.000 ( -5.043 3.108 2.578) 6.461 13.097 ( -6.454 -3.611 3.264) 8.084 14.118 ( 11.084 16.175 1.356) 19.655 14.650 ( 7.834 -5.943 -6.446) 11.757 15.053 ( 4.894 2.784 6.024) 8.246 15.218 ( -2.118 -6.530 3.093) 7.530 15.723 ( -0.225 -4.509 -7.832) 9.040 15.777 ( 4.039 -3.885 -3.276) 6.491 16.168 ( -0.485 3.453 -5.589) 6.587 16.460 ( 5.243 -8.378 -6.232) 11.685 17.217 ( 0.799 12.917 9.053) 15.794 17.549 ( 0.567 2.883 0.462) 2.974 18.309 ( -6.416 10.458 9.478) 15.504 18.943 ( -5.927 -14.198 -7.262) 17.013 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 6.131 12.744 -3.119) 14.482 2.086 ( -4.249 10.031 -2.767) 11.239 2.169 ( 7.070 4.697 -8.628) 12.103 2.292 ( -6.020 -4.304 -2.790) 7.909 2.457 ( -1.370 2.602 -2.253) 3.705 2.518 ( -7.882 -4.776 -7.157) 11.668 2.748 ( 0.426 -5.327 2.023) 5.714 2.768 ( -2.861 -6.428 -0.189) 7.038 3.010 ( -0.168 2.514 2.838) 3.795 3.170 ( -2.728 -0.600 1.959) 3.411 3.340 ( -1.868 -4.806 5.604) 7.615 3.447 ( -4.080 -7.083 -2.265) 8.482 4.463 ( -1.936 10.296 -2.470) 10.764 4.661 ( -1.848 5.246 2.561) 6.123 4.826 ( -0.048 2.647 7.348) 7.810 4.864 ( -0.834 0.263 7.172) 7.225 5.000 ( -3.747 1.820 5.533) 6.926 5.235 ( -4.512 2.058 1.118) 5.084 5.322 ( -4.152 -2.677 -0.785) 5.003 5.452 ( 0.663 -8.725 -1.386) 8.859 6.124 ( 2.057 -0.300 0.100) 2.082 6.265 ( 3.897 -3.383 0.932) 5.244 6.593 ( 1.026 -2.231 -2.911) 3.809 6.782 ( -2.579 -8.950 -1.569) 9.445 7.249 ( -5.076 3.745 0.603) 6.337 7.419 ( -5.021 -2.789 0.668) 5.782 7.541 ( 0.035 -4.600 -3.146) 5.574 7.618 ( -2.076 -2.980 -0.009) 3.632 7.962 ( 8.154 1.636 1.952) 8.543 8.160 ( 8.232 -6.274 0.102) 10.351 8.801 ( 0.510 0.174 4.680) 4.711 8.890 ( -2.400 -2.307 6.934) 7.691 9.349 ( 1.904 1.198 -9.183) 9.454 9.399 ( 2.752 -0.111 -4.375) 5.170 9.630 ( 3.382 1.959 1.750) 4.282 9.717 ( 2.143 -0.531 -4.186) 4.732 10.257 ( 0.550 1.225 1.109) 1.741 10.326 ( 1.118 -0.670 2.472) 2.794 10.527 ( 0.919 4.469 0.436) 4.583 10.625 ( 0.477 -0.007 -0.316) 0.572 10.979 ( -4.001 3.490 -0.444) 5.328 11.226 ( -7.915 -5.639 -1.216) 9.794 11.407 ( 1.094 7.160 -4.523) 8.540 11.755 ( 2.502 -6.738 1.942) 7.445 12.465 ( 4.784 9.468 5.813) 12.096 12.618 ( 1.402 2.740 -1.707) 3.520 12.904 ( -8.181 2.349 0.635) 8.535 13.019 ( -7.215 -5.107 4.235) 9.802 14.356 ( 15.317 12.916 0.225) 20.037 14.714 ( 8.395 -4.632 -6.989) 11.865 15.112 ( -2.301 3.220 -0.209) 3.963 15.291 ( 3.887 -2.547 7.023) 8.421 15.633 ( 1.677 -0.449 -7.977) 8.164 15.868 ( 9.348 -2.846 -1.562) 9.896 16.194 ( 6.581 -1.542 1.819) 7.000 16.503 ( 6.963 -10.637 -4.428) 13.462 17.307 ( -1.336 14.961 7.331) 16.714 17.504 ( -1.853 11.862 -6.333) 13.574 18.303 ( -9.870 -1.115 13.314) 16.611 18.711 ( -10.676 -14.061 -9.115) 19.868 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -3.956 6.528 -6.665) 10.134 1.968 ( -6.010 4.346 -5.447) 9.202 2.100 ( -7.727 -1.032 -5.603) 9.600 2.135 ( 2.290 2.318 -6.349) 7.137 2.397 ( -1.425 -1.428 -0.167) 2.024 2.451 ( -0.149 0.343 -0.477) 0.606 2.730 ( 1.153 -3.573 -0.439) 3.780 2.780 ( -3.494 -6.205 2.497) 7.547 3.027 ( -0.884 5.697 1.174) 5.884 3.132 ( -3.126 -0.171 -0.041) 3.131 3.301 ( -5.296 -4.438 -1.908) 7.169 3.394 ( -2.647 -6.104 2.711) 7.185 4.408 ( 1.128 7.359 -3.208) 8.107 4.627 ( -0.160 1.769 -3.450) 3.881 4.809 ( -3.676 3.750 -0.573) 5.283 4.990 ( 0.612 1.435 11.589) 11.693 5.023 ( -4.012 2.782 5.334) 7.231 5.156 ( -4.054 -0.223 0.165) 4.064 5.267 ( -3.604 -6.539 0.308) 7.473 5.419 ( -3.550 -11.126 -1.044) 11.726 6.135 ( 0.087 2.834 -1.038) 3.019 6.355 ( 4.860 -3.003 2.069) 6.077 6.668 ( 7.629 -2.951 0.378) 8.189 6.780 ( 1.407 -7.604 4.442) 8.918 7.198 ( -3.918 3.539 2.886) 6.017 7.345 ( -3.690 -2.236 -0.713) 4.373 7.503 ( -0.206 -3.672 -3.878) 5.345 7.566 ( -3.526 -2.070 -0.659) 4.142 8.113 ( 5.066 1.710 4.211) 6.806 8.231 ( 2.741 -3.457 -4.021) 5.969 8.839 ( -0.321 2.252 3.594) 4.253 8.954 ( 3.660 -1.574 4.419) 5.950 9.256 ( -0.432 3.847 -8.920) 9.724 9.374 ( 1.290 -2.050 -6.303) 6.752 9.648 ( -0.775 4.115 -4.333) 6.025 9.747 ( 4.394 -0.665 1.314) 4.634 10.320 ( 1.842 -0.500 3.960) 4.395 10.392 ( 2.878 -2.920 4.099) 5.798 10.561 ( 2.736 5.404 1.774) 6.311 10.667 ( 1.424 -1.255 1.082) 2.185 10.933 ( -1.688 1.293 1.171) 2.428 11.049 ( -8.038 -0.929 -4.309) 9.167 11.384 ( 1.356 6.470 -2.708) 7.144 11.746 ( -2.537 -6.949 -2.029) 7.671 12.555 ( -0.685 7.550 0.103) 7.582 12.686 ( 5.900 4.880 3.525) 8.429 12.766 ( -7.634 1.507 -1.065) 7.854 12.979 ( -3.607 -6.431 4.957) 8.884 14.595 ( 13.291 6.652 -1.214) 14.912 14.762 ( 7.003 -3.042 -6.064) 9.751 15.060 ( -4.322 5.563 2.722) 7.552 15.400 ( -0.214 -6.106 3.516) 7.050 15.655 ( 8.777 10.577 -0.502) 13.753 16.017 ( 11.369 5.482 -2.984) 12.969 16.412 ( 12.897 -8.857 5.394) 16.550 16.580 ( 6.448 -11.144 -1.799) 13.000 17.297 ( -2.820 17.257 -7.335) 18.962 17.402 ( -3.648 14.118 2.269) 14.757 18.272 ( -11.042 -9.812 9.461) 17.542 18.405 ( -13.573 -14.486 -7.128) 21.092 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -1.079 7.196 1.821) 7.501 1.801 ( -4.993 2.085 -5.340) 7.602 1.955 ( -5.375 -0.365 -3.648) 6.506 2.107 ( 4.251 -4.643 -6.248) 8.870 2.356 ( -2.620 0.095 -1.318) 2.935 2.507 ( 2.594 0.110 6.083) 6.613 2.673 ( -8.333 -5.223 -0.131) 9.835 2.765 ( -0.869 -3.016 1.929) 3.684 3.011 ( -1.050 7.713 -0.574) 7.805 3.082 ( -1.925 0.730 -0.844) 2.225 3.185 ( -4.290 -0.177 -2.313) 4.877 3.385 ( -1.729 -6.255 1.792) 6.733 4.445 ( 6.458 2.442 -2.273) 7.269 4.596 ( 1.679 -3.006 -3.940) 5.233 4.771 ( -0.030 6.043 -0.239) 6.048 4.986 ( -5.567 2.000 2.941) 6.607 5.034 ( -1.683 -0.552 -1.233) 2.158 5.150 ( 0.066 -2.228 1.880) 2.916 5.172 ( -6.988 -5.853 -1.788) 9.289 5.314 ( -6.644 -10.913 -1.684) 12.887 6.135 ( 0.706 3.014 0.169) 3.100 6.443 ( 3.763 -7.145 0.565) 8.095 6.814 ( 6.920 -1.668 3.404) 7.890 6.904 ( 4.079 -4.327 6.455) 8.777 7.163 ( -4.207 3.942 1.791) 6.037 7.282 ( -2.371 -0.085 -1.522) 2.819 7.442 ( -1.076 -0.969 -4.659) 4.879 7.504 ( -2.564 -2.428 -0.485) 3.564 8.155 ( -1.124 -0.069 -5.613) 5.725 8.223 ( 1.493 -2.213 1.133) 2.900 8.924 ( 4.315 5.938 3.762) 8.248 9.057 ( 2.478 4.600 0.479) 5.246 9.169 ( -1.067 4.086 -2.558) 4.937 9.320 ( 2.412 -4.509 -4.172) 6.600 9.595 ( -0.863 3.261 -0.981) 3.513 9.832 ( 4.245 -3.605 0.670) 5.610 10.356 ( -2.619 -0.123 2.301) 3.488 10.489 ( 0.569 -5.720 4.643) 7.389 10.640 ( 3.881 4.510 0.222) 5.954 10.681 ( 3.570 0.780 -2.835) 4.625 10.884 ( -2.304 3.672 -4.470) 6.226 10.957 ( -3.012 -0.573 4.218) 5.215 11.402 ( 2.001 4.148 1.336) 4.795 11.666 ( -3.986 -5.513 -0.873) 6.858 12.505 ( -2.559 6.200 -1.608) 6.897 12.646 ( -4.730 -0.315 -1.358) 4.931 12.803 ( 3.880 3.601 0.954) 5.379 12.990 ( -1.537 -4.977 2.708) 5.871 14.712 ( 6.487 3.414 -4.942) 8.841 14.887 ( 10.311 -2.105 2.501) 10.816 15.041 ( -4.779 5.071 7.144) 9.979 15.376 ( -5.051 -8.189 2.235) 9.877 15.874 ( 11.082 19.414 5.147) 22.939 16.172 ( 12.810 11.163 -4.399) 17.551 16.601 ( 3.751 -1.383 -0.691) 4.058 16.711 ( 7.771 -11.995 3.122) 14.630 17.131 ( 0.728 12.169 -13.555) 18.230 17.419 ( -2.218 11.395 8.102) 14.156 18.013 ( -12.749 -16.270 -12.070) 23.936 18.253 ( -11.209 -14.727 9.127) 20.636 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -2.501 0.350 -1.746) 3.070 1.764 ( -5.690 0.606 -1.750) 5.984 1.914 ( 8.408 5.693 5.886) 11.737 2.183 ( 8.742 -5.205 -0.802) 10.205 2.306 ( -1.886 -0.297 -0.623) 2.009 2.531 ( -7.422 -4.040 0.299) 8.456 2.627 ( 1.696 -1.821 8.064) 8.439 2.760 ( -2.351 -1.534 3.347) 4.368 3.013 ( 1.567 5.579 -0.309) 5.803 3.036 ( -1.275 3.502 -1.078) 3.880 3.149 ( 0.212 2.770 1.665) 3.239 3.365 ( -1.742 -5.456 -0.656) 5.765 4.525 ( 5.761 0.099 -3.626) 6.808 4.604 ( 3.330 -2.934 -1.751) 4.771 4.793 ( 3.299 3.060 -1.771) 4.835 4.904 ( -7.353 -0.132 0.508) 7.372 4.965 ( 0.141 -2.062 -9.543) 9.764 5.003 ( -6.645 -1.408 -4.310) 8.044 5.144 ( -0.996 -3.936 -2.054) 4.550 5.203 ( -3.091 -10.787 -1.616) 11.337 6.155 ( 0.487 2.882 1.458) 3.266 6.487 ( 1.259 -9.361 -0.643) 9.467 6.923 ( 0.076 -1.461 3.480) 3.775 7.007 ( 0.071 -2.578 3.561) 4.397 7.093 ( -4.498 3.572 -0.434) 5.760 7.252 ( 1.098 1.310 -0.600) 1.812 7.385 ( 0.766 0.633 -3.459) 3.599 7.482 ( 0.194 -2.304 0.135) 2.316 8.056 ( 0.020 2.255 -8.441) 8.737 8.252 ( 0.764 -6.127 0.455) 6.191 8.911 ( -1.632 7.174 -5.904) 9.433 9.070 ( -1.788 2.950 -7.885) 8.607 9.213 ( 6.181 8.503 12.050) 15.991 9.426 ( 3.960 -3.397 7.954) 9.513 9.603 ( 0.561 2.617 3.128) 4.117 9.895 ( 1.865 -5.100 0.835) 5.495 10.286 ( -3.701 0.213 -3.192) 4.892 10.473 ( -3.470 -7.811 -2.233) 8.834 10.679 ( 1.772 4.132 -2.781) 5.287 10.694 ( 1.491 1.860 -5.402) 5.904 10.877 ( 3.474 4.707 2.469) 6.350 10.948 ( -3.635 -0.245 4.296) 5.633 11.472 ( 1.598 2.865 4.934) 5.925 11.627 ( -1.685 -3.548 3.053) 4.974 12.468 ( -0.224 4.843 -0.370) 4.862 12.594 ( -0.390 -1.016 0.055) 1.090 12.828 ( 0.985 1.771 -3.519) 4.060 12.958 ( -3.286 -3.264 -1.986) 5.040 14.780 ( 6.207 6.575 -0.499) 9.055 15.041 ( -2.722 -1.539 7.747) 8.354 15.106 ( 3.677 -0.059 9.019) 9.740 15.318 ( -5.128 -6.911 4.270) 9.607 15.998 ( -1.094 20.294 -1.038) 20.350 16.382 ( 13.926 16.240 1.527) 21.448 16.590 ( -2.830 7.036 -0.820) 7.628 16.765 ( 0.860 -8.260 -4.011) 9.223 17.056 ( 5.517 7.585 -12.213) 15.399 17.478 ( -6.549 8.885 6.430) 12.774 17.767 ( 4.306 -24.709 -7.827) 26.274 18.154 ( -9.943 -16.213 4.303) 19.500 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.018 2.547 -2.653) 3.677 1.776 ( 8.940 -1.686 -0.838) 9.136 2.133 ( 3.263 0.159 8.670) 9.265 2.242 ( -2.355 -5.116 2.385) 6.116 2.381 ( 8.283 2.902 2.040) 9.010 2.469 ( -0.524 0.266 2.082) 2.163 2.744 ( 1.418 -3.466 8.315) 9.120 2.780 ( -0.402 -2.211 2.973) 3.726 3.010 ( 0.225 7.264 0.159) 7.269 3.052 ( 1.488 4.345 -0.792) 4.661 3.208 ( 1.430 -0.458 4.075) 4.343 3.327 ( -0.433 -3.888 0.027) 3.912 4.519 ( 0.253 1.791 -6.632) 6.874 4.659 ( 4.643 -1.025 -2.985) 5.615 4.718 ( -6.681 0.479 -9.027) 11.241 4.756 ( -2.899 0.531 -7.675) 8.221 4.852 ( -1.215 3.171 -2.722) 4.352 4.975 ( 7.182 -7.305 -4.374) 11.139 5.077 ( -1.756 -3.927 -4.084) 5.932 5.213 ( 5.332 -10.944 -0.967) 12.212 6.185 ( -0.117 2.361 3.344) 4.096 6.467 ( -2.063 -7.379 -1.449) 7.798 6.876 ( -7.641 -1.041 1.674) 7.891 6.989 ( -6.145 -2.888 0.892) 6.848 7.028 ( -0.286 5.498 -0.954) 5.588 7.291 ( 2.107 -4.852 1.324) 5.453 7.420 ( 5.564 3.211 -0.794) 6.473 7.507 ( 2.371 -3.288 0.758) 4.124 7.978 ( 1.888 2.959 -8.297) 9.009 8.254 ( 1.115 -8.851 -3.390) 9.544 8.828 ( -2.081 6.380 -2.704) 7.235 8.960 ( -1.651 1.703 -6.060) 6.508 9.447 ( 3.569 7.539 12.161) 14.746 9.550 ( 0.118 -0.539 8.309) 8.327 9.692 ( 2.326 4.068 7.347) 8.714 9.881 ( -4.153 -0.799 -0.682) 4.284 10.224 ( 1.944 -2.914 -4.001) 5.318 10.358 ( -3.440 -8.296 -6.326) 10.985 10.592 ( -3.483 3.007 -4.736) 6.603 10.657 ( 0.881 0.616 -7.377) 7.454 10.957 ( -2.157 3.195 5.727) 6.903 10.991 ( 3.934 2.801 4.938) 6.907 11.544 ( -1.262 3.540 6.879) 7.838 11.672 ( 1.910 -2.543 3.172) 4.492 12.492 ( 2.575 4.485 0.843) 5.240 12.631 ( 3.006 -0.510 1.942) 3.615 12.766 ( -1.429 0.395 -6.155) 6.331 12.842 ( -4.699 -2.399 -5.805) 7.844 14.903 ( 5.830 7.036 3.595) 9.820 15.073 ( -4.194 -1.702 8.717) 9.822 15.159 ( -9.861 1.664 9.540) 13.821 15.374 ( 1.921 -3.314 6.858) 7.855 15.880 ( -6.915 14.976 -2.430) 16.673 16.442 ( -9.051 10.236 -0.070) 13.664 16.595 ( 1.137 3.294 -4.549) 5.730 16.705 ( -1.752 -10.138 -1.387) 10.381 17.026 ( 8.344 16.091 -9.398) 20.418 17.388 ( 1.281 7.878 -3.439) 8.691 17.891 ( 1.150 -18.754 -1.368) 18.839 18.097 ( 6.188 -18.872 3.474) 20.162 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 9.619 6.226 -2.796) 11.795 1.995 ( 16.345 -1.733 0.347) 16.440 2.192 ( -1.067 -2.261 5.264) 5.827 2.299 ( 0.898 -4.516 5.622) 7.266 2.398 ( -1.937 8.365 -1.453) 8.708 2.575 ( 3.575 0.215 0.974) 3.712 2.787 ( -2.251 -2.361 2.610) 4.178 2.864 ( 2.229 -5.619 7.223) 9.419 2.996 ( -2.494 2.458 -0.661) 3.564 3.050 ( 0.430 4.465 -2.152) 4.976 3.235 ( -0.572 0.703 1.429) 1.693 3.403 ( 2.478 -4.588 6.534) 8.360 4.386 ( -1.162 4.588 -16.673) 17.332 4.485 ( -0.316 0.811 -12.076) 12.108 4.612 ( -1.786 2.243 -5.664) 6.348 4.797 ( 4.903 -2.034 4.296) 6.828 4.817 ( 0.830 3.930 -2.284) 4.621 5.024 ( 4.925 -2.919 -5.053) 7.636 5.087 ( 6.234 -6.104 -0.371) 8.732 5.317 ( 7.801 -11.233 -1.147) 13.724 6.220 ( -1.215 1.961 3.920) 4.548 6.392 ( -4.416 -3.056 -1.565) 5.594 6.785 ( -4.907 -3.751 2.329) 6.601 6.851 ( -9.510 -3.480 0.849) 10.162 7.070 ( 4.644 6.716 0.828) 8.207 7.333 ( 1.356 -4.371 0.707) 4.630 7.501 ( 4.402 0.322 -0.075) 4.414 7.589 ( 4.151 -6.430 3.549) 8.436 7.927 ( 2.191 1.961 -6.909) 7.509 8.205 ( 0.176 -9.803 -7.230) 12.182 8.773 ( -2.234 5.278 -1.613) 5.954 8.874 ( -2.696 1.053 -3.325) 4.409 9.549 ( -2.463 4.629 4.294) 6.777 9.642 ( -2.699 0.729 9.337) 9.747 9.734 ( -4.482 4.837 -1.392) 6.739 9.846 ( -0.128 1.274 6.524) 6.648 10.211 ( 0.378 -4.226 -3.876) 5.747 10.275 ( 1.878 -3.430 -4.405) 5.890 10.503 ( -1.044 3.311 -3.221) 4.736 10.606 ( 1.596 -2.785 -2.194) 3.888 10.984 ( -1.411 5.371 3.622) 6.630 11.100 ( 3.134 0.565 3.282) 4.573 11.585 ( -2.925 4.077 6.482) 8.198 11.723 ( 1.100 -2.012 0.053) 2.294 12.541 ( -0.033 8.251 -0.469) 8.264 12.655 ( -1.476 2.521 -4.024) 4.973 12.678 ( -0.903 -2.533 -2.815) 3.893 12.766 ( 4.565 -5.270 -0.867) 7.026 14.973 ( -5.906 4.731 2.442) 7.951 15.069 ( -12.102 10.602 9.410) 18.639 15.128 ( 0.856 -1.508 7.684) 7.878 15.400 ( -6.022 2.041 3.749) 7.381 15.818 ( -2.602 2.744 4.671) 6.009 16.220 ( -12.349 -0.092 -6.135) 13.789 16.413 ( -8.189 -2.343 -4.668) 9.713 16.721 ( -0.487 -8.070 3.217) 8.701 17.071 ( 4.848 15.390 -5.787) 17.142 17.511 ( 16.511 16.182 -3.341) 23.359 17.737 ( -8.236 -12.838 -7.346) 16.930 18.384 ( 16.517 -19.535 4.974) 26.060 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 7.054 12.873 -4.735) 15.423 2.143 ( -6.283 12.217 -4.474) 14.448 2.290 ( 5.875 3.860 0.670) 7.061 2.322 ( 11.525 -7.554 -0.946) 13.812 2.446 ( 1.423 -2.879 2.130) 3.854 2.544 ( 0.325 -2.182 -5.007) 5.471 2.786 ( -3.921 -0.549 6.502) 7.613 2.949 ( 0.541 -1.912 2.985) 3.586 2.960 ( -2.696 -0.563 3.523) 4.472 3.037 ( 2.356 -1.888 -1.545) 3.392 3.232 ( -0.413 3.055 0.482) 3.121 3.496 ( 0.659 -8.201 4.661) 9.456 4.198 ( -0.066 1.908 -12.296) 12.443 4.341 ( 1.639 -1.960 -16.289) 16.489 4.623 ( 3.822 5.081 2.288) 6.757 4.811 ( 1.156 9.985 0.159) 10.053 4.940 ( 5.706 -6.295 3.858) 9.330 5.116 ( 8.380 1.769 0.511) 8.580 5.177 ( 5.573 -4.404 -1.343) 7.229 5.418 ( 5.430 -8.978 -1.111) 10.551 6.194 ( -4.672 1.783 0.311) 5.010 6.327 ( -3.227 -3.719 1.020) 5.029 6.749 ( -4.177 -2.898 3.397) 6.115 6.778 ( 0.877 -4.608 2.178) 5.172 7.189 ( 6.443 5.238 3.115) 8.868 7.359 ( 1.639 -2.985 0.171) 3.410 7.565 ( 3.333 -1.280 0.101) 3.572 7.692 ( 1.338 -7.954 5.625) 9.833 7.886 ( 1.007 -0.322 -5.812) 5.907 8.100 ( -1.827 -9.625 -8.664) 13.078 8.707 ( -3.344 4.276 -1.937) 5.763 8.794 ( -3.896 0.393 -0.901) 4.018 9.460 ( -6.385 5.540 -4.567) 9.609 9.614 ( -5.467 0.069 -0.013) 5.468 9.690 ( -3.379 1.434 3.249) 4.902 9.876 ( -3.014 -4.269 2.528) 5.805 10.229 ( 4.376 1.626 1.109) 4.798 10.281 ( 2.096 2.168 -0.173) 3.020 10.498 ( 2.266 4.737 0.611) 5.287 10.675 ( 3.935 -4.480 4.079) 7.224 10.986 ( -0.566 5.384 -0.272) 5.420 11.153 ( 1.397 -2.060 -0.913) 2.651 11.587 ( -3.193 2.917 1.880) 4.715 11.693 ( -3.779 -1.169 -0.885) 4.053 12.446 ( -4.646 9.243 -2.941) 10.755 12.610 ( 0.745 -1.201 -1.759) 2.256 12.731 ( 6.499 0.015 0.480) 6.517 12.867 ( 5.214 -3.616 1.822) 6.602 14.763 ( -18.576 16.353 1.362) 24.786 15.000 ( -7.447 3.373 4.884) 9.523 15.213 ( -1.572 -4.954 3.532) 6.284 15.290 ( -11.420 -0.706 3.260) 11.897 15.809 ( -3.076 2.667 0.720) 4.134 15.996 ( -6.410 -5.800 -2.143) 8.906 16.311 ( -2.601 4.055 2.294) 5.336 16.753 ( -1.874 -10.645 5.130) 11.965 17.061 ( 0.773 6.184 -3.012) 6.922 17.499 ( -3.138 -10.127 -15.723) 18.964 17.784 ( 15.274 24.086 1.732) 28.573 18.693 ( 14.705 -17.993 3.309) 23.472 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -4.037 17.274 -5.407) 18.546 1.888 ( -6.610 18.221 -10.961) 22.268 2.267 ( -5.460 -3.679 -9.202) 11.315 2.451 ( 2.371 -5.721 4.612) 7.722 2.489 ( 9.988 4.500 -2.975) 11.351 2.618 ( 4.266 2.599 1.817) 5.316 2.808 ( -3.481 3.264 7.795) 9.140 2.903 ( -0.311 2.125 -4.200) 4.717 3.067 ( 4.899 -5.512 0.860) 7.425 3.108 ( 4.975 -6.957 5.629) 10.239 3.254 ( 2.528 0.192 0.402) 2.567 3.521 ( -0.425 -12.034 -0.636) 12.059 4.120 ( 0.582 -0.859 -2.601) 2.801 4.213 ( 1.454 -3.466 -8.662) 9.442 4.711 ( 3.391 6.317 0.831) 7.218 4.854 ( 1.353 10.442 3.032) 10.957 5.065 ( 4.014 -3.179 2.599) 5.743 5.203 ( 0.746 -0.223 1.511) 1.699 5.298 ( 9.532 0.305 -0.422) 9.546 5.465 ( 2.041 -5.127 -1.029) 5.614 6.131 ( -2.464 -0.694 0.259) 2.573 6.270 ( -4.538 -5.015 0.512) 6.783 6.802 ( 4.297 -2.335 4.247) 6.477 6.858 ( 5.878 -4.350 1.629) 7.492 7.328 ( 6.447 2.276 1.456) 6.990 7.398 ( 1.948 -1.590 1.681) 3.025 7.611 ( 2.092 -1.941 -0.192) 2.860 7.740 ( -4.590 -4.252 6.226) 8.827 7.798 ( -1.997 -4.002 -9.311) 10.330 7.979 ( -2.264 -9.182 -4.587) 10.511 8.626 ( -4.894 3.478 0.331) 6.013 8.730 ( -4.401 -1.242 1.600) 4.845 9.316 ( -3.132 5.728 -4.640) 8.010 9.510 ( -3.385 -2.343 -3.740) 5.562 9.654 ( -2.544 0.810 -0.516) 2.719 9.835 ( -2.594 -5.958 -0.640) 6.529 10.335 ( 1.873 4.917 3.075) 6.094 10.344 ( 3.836 4.450 5.126) 7.798 10.568 ( 2.851 5.945 2.303) 6.984 10.767 ( 1.912 -2.398 1.603) 3.460 10.977 ( 1.423 1.868 -0.921) 2.523 11.133 ( 0.716 -4.145 -4.274) 5.997 11.492 ( -5.533 2.577 -4.807) 7.769 11.627 ( -5.188 -2.776 3.072) 6.638 12.371 ( -1.792 10.841 -1.107) 11.044 12.664 ( 4.932 -3.385 2.619) 6.530 12.846 ( 6.013 1.961 0.689) 6.362 12.964 ( 4.282 -2.636 1.396) 5.218 14.453 ( -19.905 15.640 1.214) 25.344 14.906 ( -6.784 6.478 -2.410) 9.685 15.030 ( -14.587 -7.676 1.591) 16.560 15.249 ( -3.028 -5.662 3.066) 7.115 15.771 ( 0.263 0.737 -2.168) 2.305 15.934 ( -3.417 -3.990 2.140) 5.673 16.352 ( 2.115 5.357 3.899) 6.955 16.736 ( -5.128 -6.283 0.555) 8.129 17.036 ( -3.087 0.476 0.868) 3.242 17.329 ( 3.102 -8.516 -10.578) 13.929 18.032 ( 11.922 25.854 1.574) 28.513 18.929 ( 10.733 -16.644 0.847) 19.823 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -5.011 17.317 -0.034) 18.027 1.756 ( 0.668 22.060 -7.931) 23.452 2.141 ( -0.481 -3.969 -2.097) 4.515 2.473 ( -0.529 -5.559 -0.510) 5.608 2.561 ( -0.398 14.274 -1.438) 14.352 2.710 ( 3.302 3.249 2.037) 5.061 2.799 ( 1.182 4.110 -1.672) 4.591 2.938 ( 2.160 -1.105 3.959) 4.644 3.085 ( 2.170 -8.680 -6.246) 10.911 3.205 ( 1.604 -2.413 -0.513) 2.943 3.329 ( 3.531 -3.846 -1.559) 5.449 3.500 ( 0.440 -16.280 0.835) 16.307 4.151 ( 0.624 -1.341 6.115) 6.291 4.228 ( 3.474 -3.660 4.379) 6.681 4.748 ( 1.490 7.361 -0.969) 7.573 4.897 ( -1.331 6.578 3.586) 7.609 5.115 ( 0.992 4.864 0.800) 5.028 5.215 ( -2.470 2.171 2.161) 3.934 5.419 ( 5.799 -1.075 -0.974) 5.977 5.484 ( 1.820 -4.733 -1.121) 5.193 6.120 ( 0.293 -3.201 0.557) 3.262 6.204 ( -4.048 -4.817 0.437) 6.307 6.924 ( 7.106 -2.488 -2.300) 7.873 6.973 ( 4.312 -5.138 0.248) 6.712 7.416 ( 5.077 0.384 -0.951) 5.179 7.472 ( 3.280 1.082 2.597) 4.321 7.590 ( -6.824 0.532 -3.591) 7.729 7.632 ( 0.508 -4.261 -2.742) 5.092 7.724 ( -5.232 -4.286 2.290) 7.141 7.925 ( -1.321 -10.437 -1.179) 10.586 8.579 ( -3.274 2.242 4.687) 6.142 8.684 ( -4.301 -2.643 3.648) 6.228 9.272 ( 0.882 4.860 -0.531) 4.968 9.445 ( 0.895 -3.523 -4.092) 5.473 9.612 ( -0.685 0.788 -1.700) 1.995 9.786 ( -0.872 -5.527 -2.682) 6.205 10.375 ( -0.320 6.331 0.605) 6.368 10.430 ( -0.963 4.729 3.249) 5.817 10.589 ( -0.259 6.704 -2.742) 7.248 10.783 ( 1.395 -1.874 -2.270) 3.258 11.033 ( 3.572 -0.590 3.679) 5.161 11.127 ( 2.625 -3.693 -0.904) 4.620 11.365 ( -3.484 2.416 -1.607) 4.534 11.572 ( -4.487 -5.965 0.900) 7.518 12.350 ( -0.533 12.890 0.143) 12.902 12.780 ( 2.809 -6.300 2.499) 7.336 12.934 ( 3.688 4.441 1.376) 5.934 13.050 ( 4.828 -1.822 0.991) 5.255 14.163 ( -16.142 15.090 1.859) 22.175 14.727 ( -4.715 -2.443 -7.678) 9.335 14.904 ( -6.820 0.813 5.915) 9.064 15.232 ( -2.723 -7.562 2.816) 8.516 15.763 ( 1.884 -1.854 -3.145) 4.108 15.894 ( -3.044 -4.418 -0.226) 5.370 16.409 ( 1.567 3.895 -2.281) 4.778 16.596 ( -6.516 -3.345 -6.246) 9.625 17.008 ( 0.373 5.968 1.523) 6.171 17.370 ( 4.015 -9.879 3.816) 11.326 18.204 ( 6.088 24.579 2.442) 25.440 19.058 ( 5.506 -15.566 -1.962) 16.627 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 7.095 -5.517 0.358) 8.995 1.947 ( 7.095 5.517 0.358) 8.995 2.234 ( 0.547 -11.139 2.620) 11.456 2.234 ( 0.547 11.140 2.620) 11.457 2.693 ( -2.015 -10.657 -13.152) 17.047 2.693 ( -2.015 10.657 -13.152) 17.047 2.863 ( 0.069 -2.313 2.004) 3.061 2.863 ( 0.069 2.312 2.004) 3.061 3.087 ( -3.715 -6.420 -1.246) 7.521 3.087 ( -3.715 6.420 -1.247) 7.522 3.327 ( 2.596 -7.868 2.943) 8.792 3.327 ( 2.596 7.868 2.942) 8.792 4.319 ( 2.963 -3.875 14.013) 14.838 4.319 ( 2.963 3.875 14.013) 14.838 4.886 ( -1.383 -4.420 -0.764) 4.693 4.886 ( -1.382 4.419 -0.764) 4.693 5.240 ( -1.200 -2.916 1.662) 3.565 5.240 ( -1.200 2.916 1.662) 3.565 5.440 ( 0.381 -1.807 -1.260) 2.236 5.440 ( 0.382 1.809 -1.259) 2.237 6.082 ( -0.916 -1.724 -0.823) 2.119 6.082 ( -0.916 1.724 -0.823) 2.119 6.886 ( -1.801 -1.592 -7.020) 7.420 6.886 ( -1.802 1.594 -7.019) 7.420 7.519 ( -4.298 -0.745 -0.082) 4.363 7.519 ( -4.298 0.746 -0.082) 4.363 7.570 ( 4.783 -3.175 1.681) 5.982 7.570 ( 4.782 3.175 1.681) 5.982 7.689 ( 1.118 -7.047 -0.190) 7.138 7.689 ( 1.117 7.047 -0.190) 7.137 8.653 ( -0.706 -1.626 7.678) 7.880 8.653 ( -0.706 1.626 7.678) 7.880 9.377 ( 2.456 -2.538 -1.652) 3.899 9.377 ( 2.456 2.539 -1.652) 3.900 9.638 ( 0.509 -4.133 -2.561) 4.888 9.638 ( 0.508 4.133 -2.561) 4.889 10.409 ( -3.752 -0.820 -2.905) 4.815 10.409 ( -3.752 0.820 -2.904) 4.815 10.672 ( -0.479 -5.185 -3.753) 6.419 10.672 ( -0.478 5.186 -3.753) 6.419 11.174 ( 2.869 -2.983 5.238) 6.676 11.174 ( 2.870 2.982 5.239) 6.676 11.404 ( 1.257 -3.853 -0.255) 4.061 11.404 ( 1.254 3.855 -0.259) 4.063 12.600 ( -2.162 -10.525 0.213) 10.747 12.600 ( -2.162 10.525 0.213) 10.747 13.070 ( -0.517 -2.445 2.976) 3.886 13.070 ( -0.517 2.445 2.975) 3.886 14.377 ( 0.686 -16.120 -2.591) 16.341 14.377 ( 0.687 16.120 -2.591) 16.342 15.050 ( -1.075 -7.926 4.724) 9.290 15.050 ( -1.076 7.927 4.724) 9.291 15.750 ( 0.518 -2.689 -5.431) 6.083 15.750 ( 0.518 2.689 -5.431) 6.082 16.383 ( -2.448 -4.194 -7.712) 9.114 16.383 ( -2.448 4.195 -7.712) 9.114 17.307 ( 3.173 -9.922 9.643) 14.196 17.307 ( 3.175 9.923 9.643) 14.196 18.709 ( -0.536 -18.798 -2.184) 18.932 18.710 ( -0.535 18.799 -2.184) 18.933 ======================= Grid point 145 (76/170) ======================= q-point: ( 0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 7.168 -6.419 -2.493) 9.940 2.075 ( 7.169 6.418 -2.493) 9.940 2.322 ( 3.585 -7.460 6.557) 10.560 2.322 ( 3.584 7.462 6.557) 10.560 2.485 ( -3.349 -11.359 -13.836) 18.212 2.485 ( -3.349 11.358 -13.837) 18.212 2.822 ( -6.810 -3.605 -0.898) 7.757 2.822 ( -6.809 3.605 -0.897) 7.757 3.051 ( -0.804 -5.589 3.267) 6.523 3.051 ( -0.804 5.589 3.266) 6.523 3.361 ( -1.009 -6.679 0.747) 6.796 3.361 ( -1.009 6.679 0.746) 6.796 4.545 ( 3.549 -5.731 14.640) 16.117 4.545 ( 3.549 5.731 14.642) 16.119 4.840 ( -3.198 -4.037 -0.313) 5.160 4.840 ( -3.197 4.036 -0.314) 5.159 5.215 ( -3.333 -7.781 1.420) 8.584 5.215 ( -3.333 7.782 1.420) 8.584 5.399 ( -3.513 -1.511 -1.918) 4.278 5.399 ( -3.512 1.513 -1.917) 4.278 6.088 ( 3.403 -3.279 -0.652) 4.770 6.088 ( 3.403 3.279 -0.652) 4.770 6.742 ( -4.921 -4.399 -6.267) 9.102 6.742 ( -4.922 4.400 -6.266) 9.102 7.428 ( -6.140 -3.667 -0.240) 7.155 7.428 ( -6.140 3.667 -0.240) 7.156 7.573 ( -1.473 -2.403 -0.645) 2.891 7.573 ( -1.473 2.403 -0.645) 2.891 7.840 ( 11.401 -4.571 1.643) 12.393 7.840 ( 11.401 4.571 1.643) 12.393 8.754 ( 0.471 -2.529 8.793) 9.161 8.754 ( 0.471 2.529 8.793) 9.161 9.395 ( 3.131 -0.465 -4.063) 5.151 9.395 ( 3.131 0.466 -4.063) 5.151 9.633 ( 2.206 -3.763 -1.604) 4.647 9.633 ( 2.206 3.763 -1.605) 4.647 10.325 ( -2.520 -0.660 -1.836) 3.187 10.325 ( -2.520 0.660 -1.836) 3.187 10.618 ( -0.683 -4.166 -3.177) 5.284 10.618 ( -0.682 4.167 -3.177) 5.285 11.186 ( -4.244 -6.624 0.638) 7.892 11.186 ( -4.245 6.624 0.637) 7.893 11.504 ( 6.379 -5.247 2.307) 8.576 11.504 ( 6.380 5.249 2.306) 8.577 12.569 ( -0.908 -7.541 0.750) 7.632 12.569 ( -0.908 7.541 0.750) 7.632 13.045 ( -6.420 -1.753 3.008) 7.303 13.045 ( -6.419 1.753 3.007) 7.302 14.446 ( 10.427 -13.582 -3.572) 17.491 14.446 ( 10.427 13.581 -3.573) 17.491 15.115 ( 1.758 -3.562 5.156) 6.508 15.115 ( 1.758 3.562 5.156) 6.509 15.700 ( 2.277 -2.262 -6.476) 7.228 15.700 ( 2.278 2.263 -6.476) 7.229 16.288 ( 0.682 -7.448 -5.443) 9.250 16.288 ( 0.682 7.449 -5.442) 9.250 17.457 ( 1.764 -9.235 8.902) 12.948 17.457 ( 1.766 9.236 8.902) 12.948 18.617 ( -7.052 -16.296 -2.801) 17.976 18.617 ( -7.051 16.297 -2.801) 17.976 ======================= Grid point 147 (77/170) ======================= q-point: ( 0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -0.200 -8.211 -4.036) 9.151 2.098 ( -0.200 8.210 -4.038) 9.152 2.266 ( -4.166 -6.079 -11.218) 13.423 2.266 ( -4.168 6.081 -11.218) 13.424 2.452 ( 2.379 -4.059 0.456) 4.727 2.452 ( 2.380 4.059 0.455) 4.727 2.694 ( -5.048 -1.429 1.268) 5.397 2.694 ( -5.048 1.429 1.268) 5.398 3.097 ( -0.324 -5.338 4.387) 6.917 3.097 ( -0.324 5.338 4.386) 6.917 3.327 ( -2.562 -3.652 -0.560) 4.496 3.327 ( -2.562 3.653 -0.560) 4.496 4.657 ( -1.459 -6.143 -2.224) 6.694 4.657 ( -1.458 6.144 -2.224) 6.695 4.855 ( -0.592 -1.382 12.132) 12.225 4.855 ( -0.592 1.382 12.132) 12.224 5.177 ( -3.389 -10.944 2.287) 11.683 5.177 ( -3.389 10.945 2.287) 11.684 5.286 ( -6.782 -1.047 -2.213) 7.210 5.286 ( -6.782 1.047 -2.212) 7.211 6.176 ( 6.144 -4.531 0.339) 7.641 6.176 ( 6.143 4.532 0.338) 7.641 6.626 ( -2.258 -5.135 -1.798) 5.891 6.626 ( -2.258 5.135 -1.798) 5.891 7.333 ( -4.652 -4.502 -0.172) 6.476 7.333 ( -4.651 4.502 -0.172) 6.476 7.543 ( -1.076 -3.338 -0.909) 3.623 7.543 ( -1.076 3.338 -0.910) 3.624 8.035 ( 9.107 -5.133 2.040) 10.651 8.035 ( 9.107 5.133 2.040) 10.651 8.836 ( -0.171 -2.609 5.238) 5.854 8.836 ( -0.172 2.610 5.238) 5.855 9.379 ( 2.522 -1.507 -7.000) 7.591 9.379 ( 2.522 1.507 -6.999) 7.591 9.678 ( 3.929 -2.563 -0.479) 4.716 9.678 ( 3.930 2.563 -0.479) 4.716 10.293 ( -0.863 -2.008 1.275) 2.530 10.293 ( -0.863 2.008 1.275) 2.530 10.600 ( 0.755 -2.394 0.328) 2.532 10.600 ( 0.756 2.396 0.328) 2.534 11.093 ( -5.005 -6.439 -2.481) 8.524 11.093 ( -5.005 6.439 -2.481) 8.524 11.587 ( 2.183 -8.872 -0.966) 9.187 11.587 ( 2.183 8.874 -0.966) 9.190 12.613 ( 3.148 -3.810 3.301) 5.943 12.613 ( 3.148 3.810 3.302) 5.944 12.943 ( -8.883 -2.183 2.256) 9.421 12.943 ( -8.882 2.184 2.255) 9.421 14.587 ( 11.552 -8.296 -5.376) 15.204 14.587 ( 11.552 8.296 -5.377) 15.205 15.200 ( 1.501 -5.198 3.601) 6.499 15.200 ( 1.502 5.198 3.601) 6.500 15.725 ( 8.534 -8.015 -2.567) 11.986 15.725 ( 8.535 8.015 -2.568) 11.987 16.290 ( 4.353 -8.791 -2.036) 10.019 16.290 ( 4.354 8.792 -2.035) 10.020 17.552 ( 0.376 -6.730 4.336) 8.014 17.552 ( 0.377 6.729 4.335) 8.014 18.424 ( -12.821 -11.804 -1.804) 17.520 18.424 ( -12.820 11.805 -1.805) 17.521 ======================= Grid point 149 (78/170) ======================= q-point: ( 0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -4.518 -7.234 -7.134) 11.119 1.983 ( -4.518 7.236 -7.130) 11.118 2.082 ( -6.960 -4.865 -4.384) 9.556 2.082 ( -6.958 4.864 -4.382) 9.554 2.445 ( 0.652 -2.634 -1.900) 3.313 2.445 ( 0.650 2.635 -1.900) 3.313 2.694 ( -0.868 -1.044 2.346) 2.711 2.694 ( -0.868 1.044 2.346) 2.710 3.114 ( -0.773 -2.421 0.598) 2.610 3.114 ( -0.772 2.421 0.598) 2.611 3.279 ( -2.854 -3.534 0.032) 4.543 3.279 ( -2.854 3.534 0.032) 4.543 4.570 ( -1.787 -6.520 -4.701) 8.234 4.570 ( -1.786 6.520 -4.701) 8.234 4.960 ( -0.878 -5.932 5.560) 8.177 4.960 ( -0.877 5.931 5.560) 8.177 5.146 ( -7.084 -1.196 -0.652) 7.214 5.146 ( -7.084 1.197 -0.652) 7.214 5.168 ( -3.046 -9.158 4.243) 10.542 5.168 ( -3.046 9.159 4.243) 10.544 6.243 ( 2.111 -6.582 -0.928) 6.974 6.243 ( 2.111 6.582 -0.928) 6.975 6.668 ( 5.294 -2.944 4.193) 7.368 6.668 ( 5.295 2.945 4.194) 7.368 7.274 ( -3.092 -3.882 0.725) 5.015 7.274 ( -3.092 3.882 0.725) 5.015 7.512 ( -0.931 -3.066 -1.894) 3.722 7.512 ( -0.931 3.066 -1.895) 3.723 8.162 ( 3.777 -2.941 0.648) 4.830 8.162 ( 3.777 2.941 0.647) 4.830 8.902 ( 3.439 -3.179 4.130) 6.244 8.902 ( 3.439 3.180 4.130) 6.244 9.321 ( 0.570 -2.655 -7.935) 8.387 9.321 ( 0.570 2.655 -7.934) 8.386 9.717 ( 2.342 -2.209 -2.457) 4.050 9.717 ( 2.342 2.209 -2.457) 4.050 10.329 ( 0.076 -1.863 5.599) 5.901 10.329 ( 0.077 1.863 5.599) 5.901 10.642 ( 2.377 -2.273 1.685) 3.695 10.642 ( 2.377 2.275 1.685) 3.697 10.990 ( -3.017 -3.551 -3.071) 5.581 10.990 ( -3.017 3.552 -3.070) 5.581 11.569 ( -0.862 -9.435 -2.700) 9.852 11.569 ( -0.862 9.439 -2.698) 9.854 12.681 ( -0.858 -4.073 0.308) 4.174 12.681 ( -0.859 4.074 0.307) 4.175 12.853 ( -3.540 -5.708 3.984) 7.810 12.853 ( -3.541 5.708 3.985) 7.810 14.697 ( 9.210 -3.477 -4.743) 10.928 14.697 ( 9.211 3.477 -4.744) 10.928 15.224 ( -2.372 -9.104 2.266) 9.677 15.224 ( -2.371 9.106 2.265) 9.678 15.943 ( 17.151 -13.328 2.212) 21.833 15.943 ( 17.152 13.328 2.212) 21.833 16.371 ( 6.331 -7.261 0.055) 9.634 16.371 ( 6.331 7.264 0.057) 9.636 17.555 ( -1.024 -3.487 -3.436) 5.001 17.555 ( -1.024 3.485 -3.436) 5.000 18.174 ( -16.560 -4.087 1.695) 17.141 18.174 ( -16.560 4.089 1.695) 17.141 ======================= Grid point 151 (79/170) ======================= q-point: ( 0.36 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -6.367 -1.699 -1.089) 6.679 1.847 ( -6.364 1.699 -1.088) 6.676 1.969 ( 1.058 -5.571 -4.222) 7.070 1.969 ( 1.057 5.571 -4.222) 7.070 2.434 ( -2.283 -6.140 0.842) 6.604 2.434 ( -2.283 6.140 0.843) 6.605 2.680 ( -2.387 -4.585 1.343) 5.341 2.680 ( -2.386 4.585 1.342) 5.340 3.096 ( -0.717 -0.079 -1.242) 1.436 3.096 ( -0.718 0.079 -1.242) 1.436 3.244 ( -1.129 -6.283 0.262) 6.389 3.244 ( -1.128 6.284 0.261) 6.390 4.524 ( 2.021 -4.221 -3.512) 5.852 4.524 ( 2.021 4.221 -3.513) 5.852 4.959 ( -1.628 -9.527 -0.946) 9.711 4.959 ( -1.627 9.524 -0.946) 9.708 5.038 ( -5.692 -3.153 0.555) 6.530 5.038 ( -5.693 3.153 0.555) 6.531 5.145 ( -4.259 -3.643 0.716) 5.650 5.145 ( -4.260 3.647 0.717) 5.654 6.260 ( 1.411 -8.467 -0.249) 8.588 6.260 ( 1.410 8.468 -0.249) 8.588 6.829 ( 5.259 -2.414 6.048) 8.371 6.829 ( 5.259 2.415 6.049) 8.371 7.239 ( -2.169 -3.326 0.172) 3.974 7.239 ( -2.169 3.326 0.171) 3.974 7.469 ( -0.567 -2.528 -3.016) 3.976 7.469 ( -0.566 2.529 -3.016) 3.976 8.175 ( -0.094 -1.896 -2.541) 3.172 8.175 ( -0.094 1.897 -2.542) 3.173 9.058 ( 6.579 -4.922 5.748) 10.027 9.058 ( 6.579 4.921 5.748) 10.027 9.228 ( -0.565 -2.709 -6.082) 6.682 9.228 ( -0.565 2.709 -6.082) 6.682 9.714 ( 1.043 -6.773 -1.740) 7.070 9.714 ( 1.043 6.773 -1.740) 7.070 10.379 ( -2.566 -3.094 4.847) 6.296 10.379 ( -2.566 3.095 4.845) 6.296 10.700 ( 3.935 -0.706 -0.942) 4.108 10.700 ( 3.934 0.705 -0.944) 4.107 10.935 ( -0.893 -1.581 -1.109) 2.128 10.935 ( -0.894 1.582 -1.109) 2.129 11.530 ( -1.223 4.870 0.160) 5.024 11.530 ( -1.222 -4.869 0.160) 5.023 12.604 ( -4.466 -3.334 -1.533) 5.780 12.604 ( -4.466 3.333 -1.533) 5.780 12.890 ( 0.815 -4.518 2.085) 5.042 12.890 ( 0.814 4.518 2.085) 5.043 14.804 ( 8.117 -4.787 -0.992) 9.475 14.804 ( 8.117 4.787 -0.992) 9.476 15.194 ( -4.977 -8.489 4.161) 10.684 15.194 ( -4.976 8.489 4.162) 10.684 16.272 ( 17.397 -12.567 0.783) 21.475 16.272 ( 17.396 12.569 0.784) 21.476 16.490 ( 7.001 -3.574 2.603) 8.280 16.490 ( 7.000 3.571 2.604) 8.278 17.433 ( -3.062 -13.111 -11.336) 17.600 17.433 ( -3.062 13.110 -11.336) 17.600 17.946 ( -15.432 -11.898 5.641) 20.286 17.946 ( -15.432 11.900 5.641) 20.287 ======================= Grid point 153 (80/170) ======================= q-point: ( 0.45 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -3.696 -2.628 -2.892) 5.379 1.733 ( -3.698 2.628 -2.892) 5.380 2.044 ( 6.042 -6.727 3.715) 9.776 2.044 ( 6.043 6.727 3.716) 9.776 2.393 ( -2.509 -6.971 1.558) 7.571 2.393 ( -2.508 6.971 1.558) 7.570 2.681 ( -1.035 -4.734 4.037) 6.307 2.681 ( -1.035 4.735 4.036) 6.307 3.086 ( 0.823 -0.160 -0.009) 0.839 3.086 ( 0.822 0.160 -0.010) 0.838 3.237 ( -0.416 -6.099 -0.071) 6.113 3.237 ( -0.416 6.099 -0.072) 6.114 4.546 ( 4.131 -1.942 -2.469) 5.189 4.546 ( 4.128 1.941 -2.468) 5.187 4.905 ( -1.256 -4.041 -5.165) 6.677 4.905 ( -1.254 4.042 -5.166) 6.678 4.959 ( -4.120 -6.864 0.330) 8.012 4.959 ( -4.118 6.863 0.331) 8.010 5.057 ( -2.705 -2.718 -4.509) 5.920 5.057 ( -2.707 2.720 -4.509) 5.921 6.280 ( 0.705 -8.729 0.399) 8.766 6.280 ( 0.704 8.729 0.399) 8.766 6.938 ( -0.770 -2.453 5.774) 6.321 6.938 ( -0.770 2.453 5.774) 6.321 7.191 ( -1.664 -4.697 -2.896) 5.764 7.191 ( -1.665 4.697 -2.897) 5.764 7.449 ( 1.765 -2.801 -1.766) 3.753 7.449 ( 1.766 2.801 -1.767) 3.753 8.133 ( 0.401 -4.850 -4.669) 6.744 8.133 ( 0.401 4.850 -4.669) 6.745 9.048 ( -1.838 -4.807 -8.046) 9.551 9.048 ( -1.839 4.808 -8.046) 9.552 9.341 ( 5.389 -4.382 11.786) 13.680 9.341 ( 5.389 4.381 11.786) 13.680 9.735 ( 1.936 -8.616 1.668) 8.987 9.735 ( 1.936 8.617 1.668) 8.988 10.333 ( -4.614 -4.472 -1.912) 6.704 10.333 ( -4.615 4.472 -1.914) 6.705 10.726 ( 1.253 -0.396 -4.151) 4.354 10.726 ( 1.254 0.395 -4.151) 4.354 10.938 ( 1.025 -1.240 2.362) 2.858 10.938 ( 1.023 1.242 2.362) 2.858 11.547 ( -0.060 1.933 4.600) 4.990 11.548 ( -0.060 -1.932 4.599) 4.989 12.546 ( -0.702 -3.016 -0.461) 3.130 12.546 ( -0.702 3.016 -0.461) 3.131 12.887 ( -1.253 -3.436 -2.316) 4.329 12.887 ( -1.253 3.436 -2.315) 4.329 14.937 ( 5.815 -7.247 3.071) 9.786 14.937 ( 5.816 7.248 3.072) 9.788 15.173 ( -4.691 -5.616 7.577) 10.534 15.173 ( -4.689 5.616 7.578) 10.534 16.411 ( 2.542 -17.204 -4.776) 18.035 16.411 ( 2.543 17.204 -4.775) 18.034 16.667 ( 4.983 -8.209 3.011) 10.064 16.667 ( 4.982 8.210 3.013) 10.065 17.288 ( 5.228 -17.963 -10.084) 21.253 17.288 ( 5.227 17.963 -10.084) 21.252 17.791 ( -10.625 -17.573 4.471) 21.016 17.791 ( -10.626 17.574 4.470) 21.018 ======================= Grid point 155 (81/170) ======================= q-point: (-0.45 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 5.673 3.892 -3.045) 7.524 1.707 ( 5.672 -3.891 -3.048) 7.523 2.148 ( -0.229 -2.741 5.142) 5.832 2.148 ( -0.229 2.742 5.142) 5.832 2.453 ( 4.745 -2.994 4.783) 7.373 2.453 ( 4.745 2.993 4.785) 7.373 2.724 ( -0.234 -2.051 4.696) 5.130 2.724 ( -0.235 2.053 4.695) 5.130 3.102 ( 0.149 -1.258 -1.156) 1.715 3.103 ( 0.149 1.258 -1.156) 1.715 3.241 ( 0.238 -3.839 3.139) 4.965 3.241 ( 0.238 3.838 3.141) 4.965 4.581 ( 2.792 0.740 -2.728) 3.974 4.581 ( 2.792 -0.740 -2.730) 3.974 4.763 ( -2.524 -3.271 -12.751) 13.403 4.763 ( -2.521 3.273 -12.749) 13.402 4.945 ( 2.260 -5.147 -1.094) 5.727 4.945 ( 2.263 5.150 -1.094) 5.731 4.995 ( 1.161 -7.466 -2.357) 7.915 4.995 ( 1.161 7.462 -2.357) 7.912 6.293 ( -0.238 -7.605 1.400) 7.736 6.293 ( -0.240 7.605 1.400) 7.737 6.911 ( -8.375 -3.354 2.941) 9.489 6.911 ( -8.375 3.354 2.941) 9.489 7.159 ( 1.823 -6.467 -1.291) 6.842 7.159 ( 1.821 6.468 -1.292) 6.842 7.477 ( 2.905 -1.577 -0.854) 3.414 7.477 ( 2.905 1.578 -0.856) 3.415 8.085 ( 1.661 -6.872 -6.928) 9.898 8.086 ( 1.660 6.872 -6.929) 9.899 8.937 ( -2.322 -3.575 -4.864) 6.468 8.937 ( -2.323 3.576 -4.864) 6.468 9.533 ( 0.929 -1.404 11.688) 11.808 9.533 ( 0.929 1.403 11.687) 11.808 9.808 ( 1.721 -5.772 4.181) 7.332 9.808 ( 1.721 5.771 4.181) 7.331 10.220 ( -2.264 -3.403 -5.544) 6.888 10.220 ( -2.264 3.405 -5.544) 6.889 10.649 ( -2.081 -1.667 -6.372) 6.907 10.649 ( -2.081 1.667 -6.371) 6.906 11.010 ( 1.879 -1.156 4.493) 5.005 11.010 ( 1.879 1.158 4.494) 5.007 11.614 ( 0.340 -0.333 5.773) 5.792 11.614 ( 0.340 0.334 5.770) 5.790 12.572 ( 3.401 -3.633 0.578) 5.010 12.572 ( 3.402 3.634 0.577) 5.011 12.802 ( -3.498 -2.097 -5.103) 6.532 12.802 ( -3.498 2.097 -5.101) 6.531 15.026 ( -1.040 -3.578 5.190) 6.389 15.026 ( -1.040 3.579 5.191) 6.390 15.239 ( -0.699 3.801 11.257) 11.902 15.239 ( -0.698 -3.800 11.256) 11.901 16.278 ( -8.776 -19.915 -8.643) 23.416 16.278 ( -8.774 19.915 -8.643) 23.415 16.635 ( -6.464 -6.350 -0.441) 9.072 16.635 ( -6.462 6.351 -0.444) 9.071 17.412 ( 14.179 -18.248 -7.684) 24.353 17.413 ( 14.179 18.246 -7.685) 24.352 17.723 ( -0.377 -14.637 4.825) 15.416 17.723 ( -0.378 14.640 4.823) 15.419 ======================= Grid point 157 (82/170) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 14.683 -9.289 -1.742) 17.462 1.857 ( 14.684 9.289 -1.741) 17.462 2.207 ( 1.360 -3.298 5.575) 6.619 2.207 ( 1.360 3.299 5.575) 6.619 2.548 ( 0.320 -4.200 0.266) 4.221 2.548 ( 0.322 4.200 0.266) 4.220 2.770 ( -0.592 -1.901 5.388) 5.744 2.770 ( -0.592 1.902 5.388) 5.744 3.050 ( -2.472 -2.503 -2.916) 4.570 3.050 ( -2.473 2.503 -2.915) 4.569 3.310 ( 0.051 -4.598 6.088) 7.630 3.310 ( 0.051 4.597 6.088) 7.629 4.483 ( -0.463 -2.643 -18.685) 18.876 4.483 ( -0.465 2.644 -18.689) 18.881 4.676 ( 2.940 5.721 0.013) 6.432 4.676 ( 2.938 -5.721 0.015) 6.431 4.980 ( 4.157 -5.595 -1.694) 7.173 4.980 ( 4.157 5.595 -1.695) 7.173 5.061 ( 6.947 -10.653 0.651) 12.735 5.061 ( 6.946 10.653 0.651) 12.734 6.300 ( -1.249 -5.025 1.301) 5.339 6.300 ( -1.250 5.026 1.302) 5.340 6.779 ( -9.117 -2.610 2.202) 9.736 6.779 ( -9.117 2.610 2.202) 9.736 7.211 ( 3.484 -6.642 1.668) 7.684 7.211 ( 3.485 6.643 1.668) 7.685 7.518 ( 2.604 -1.851 0.277) 3.207 7.518 ( 2.605 1.851 0.276) 3.208 8.026 ( 1.374 -6.952 -8.337) 10.942 8.026 ( 1.374 6.952 -8.338) 10.943 8.857 ( -2.973 -2.549 -2.349) 4.567 8.857 ( -2.973 2.550 -2.349) 4.567 9.623 ( -3.321 -2.307 7.274) 8.323 9.623 ( -3.321 2.307 7.273) 8.322 9.822 ( -4.293 -3.403 1.314) 5.634 9.822 ( -4.292 3.403 1.313) 5.633 10.194 ( 4.300 -2.760 -1.559) 5.343 10.195 ( 4.301 2.761 -1.560) 5.344 10.562 ( -0.196 -2.123 -3.555) 4.145 10.562 ( -0.197 2.123 -3.553) 4.144 11.077 ( 0.810 -2.939 2.853) 4.176 11.077 ( 0.809 2.941 2.854) 4.177 11.666 ( -1.026 -1.886 3.690) 4.269 11.667 ( -1.028 1.887 3.688) 4.268 12.642 ( 2.439 -1.558 -3.537) 4.570 12.642 ( 2.441 1.559 -3.535) 4.570 12.692 ( -0.870 -2.590 -0.590) 2.795 12.692 ( -0.871 2.589 -0.592) 2.795 15.050 ( -4.159 -3.305 7.497) 9.188 15.050 ( -4.160 3.305 7.498) 9.190 15.319 ( -5.832 -9.165 7.369) 13.127 15.319 ( -5.830 9.166 7.370) 13.127 16.015 ( -9.660 -13.855 -5.542) 17.776 16.015 ( -9.661 13.856 -5.544) 17.778 16.526 ( -6.482 -9.427 1.174) 11.501 16.526 ( -6.481 9.427 1.171) 11.499 17.403 ( 1.106 -15.634 -11.451) 19.411 17.403 ( 1.104 15.635 -11.451) 19.411 17.951 ( 16.191 -21.023 5.263) 27.052 17.951 ( 16.190 21.023 5.263) 27.051 ======================= Grid point 159 (83/170) ======================= q-point: (-0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 12.147 -13.057 -2.432) 17.999 2.078 ( 12.148 13.058 -2.433) 18.001 2.319 ( 0.976 -4.248 4.221) 6.068 2.319 ( 0.976 4.249 4.223) 6.070 2.462 ( 0.751 -5.002 -7.956) 9.428 2.462 ( 0.753 5.002 -7.957) 9.429 2.836 ( -0.756 -5.089 7.757) 9.308 2.836 ( -0.756 5.089 7.756) 9.307 2.989 ( -2.105 -2.669 -0.330) 3.415 2.989 ( -2.104 2.668 -0.330) 3.414 3.347 ( -1.748 -6.400 2.870) 7.228 3.347 ( -1.748 6.399 2.870) 7.228 4.269 ( -0.032 -4.243 -16.389) 16.929 4.269 ( -0.033 4.243 -16.390) 16.931 4.774 ( 5.646 -8.610 2.579) 10.614 4.774 ( 5.648 8.611 2.580) 10.616 5.044 ( 4.835 -9.058 -0.621) 10.286 5.044 ( 4.834 9.058 -0.621) 10.286 5.206 ( 8.522 -8.223 1.339) 11.918 5.206 ( 8.522 8.225 1.340) 11.919 6.259 ( -4.390 -3.407 -0.413) 5.573 6.259 ( -4.390 3.408 -0.412) 5.573 6.716 ( -2.381 -0.503 4.583) 5.189 6.716 ( -2.382 0.503 4.584) 5.191 7.294 ( 3.706 -4.238 1.965) 5.963 7.294 ( 3.708 4.239 1.966) 5.965 7.574 ( 2.165 -3.136 2.485) 4.549 7.574 ( 2.164 3.135 2.483) 4.547 7.939 ( -0.606 -5.329 -8.290) 9.874 7.939 ( -0.605 5.330 -8.291) 9.875 8.776 ( -4.427 -2.093 -1.129) 5.025 8.776 ( -4.427 2.094 -1.129) 5.026 9.568 ( -6.481 -4.088 -1.734) 7.856 9.568 ( -6.480 4.088 -1.734) 7.856 9.759 ( -4.272 -5.003 1.565) 6.762 9.759 ( -4.271 5.004 1.564) 6.762 10.279 ( 4.789 -1.923 2.141) 5.587 10.279 ( 4.789 1.923 2.141) 5.587 10.587 ( 3.693 -3.943 2.054) 5.780 10.587 ( 3.692 3.943 2.055) 5.780 11.091 ( -0.273 -4.073 -1.362) 4.303 11.091 ( -0.274 4.073 -1.361) 4.303 11.650 ( -3.860 -2.461 0.453) 4.600 11.651 ( -3.864 2.461 0.451) 4.604 12.565 ( -1.716 -2.924 -2.537) 4.234 12.565 ( -1.716 2.924 -2.537) 4.235 12.785 ( 6.112 -4.114 1.578) 7.534 12.786 ( 6.112 4.115 1.578) 7.535 15.044 ( -11.583 -3.908 10.460) 16.089 15.044 ( -11.587 3.909 10.460) 16.091 15.165 ( -9.554 -5.735 -5.827) 12.574 15.165 ( -9.555 5.734 -5.824) 12.573 15.894 ( -4.325 -4.585 1.775) 6.548 15.894 ( -4.325 4.586 1.773) 6.548 16.476 ( -3.463 -11.896 5.632) 13.610 16.476 ( -3.463 11.896 5.631) 13.610 17.270 ( 0.135 -11.201 -12.638) 16.888 17.270 ( 0.135 11.201 -12.638) 16.888 18.273 ( 15.909 -21.790 3.273) 27.177 18.273 ( 15.909 21.790 3.273) 27.177 ======================= Grid point 161 (84/170) ======================= q-point: (-0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -5.103 -11.593 -10.156) 16.235 2.092 ( -5.101 11.595 -10.155) 16.236 2.229 ( -0.122 -12.676 -1.222) 12.736 2.229 ( -0.122 12.675 -1.222) 12.735 2.598 ( 11.801 -3.616 -0.667) 12.361 2.598 ( 11.801 3.616 -0.666) 12.361 2.923 ( 0.211 -5.168 7.008) 8.710 2.923 ( 0.211 5.166 7.005) 8.706 2.979 ( 0.606 -1.926 2.111) 2.921 2.979 ( 0.606 1.927 2.114) 2.924 3.324 ( -1.425 -6.471 -2.135) 6.961 3.324 ( -1.425 6.471 -2.135) 6.961 4.141 ( 0.474 -2.754 -6.051) 6.665 4.141 ( 0.473 2.754 -6.052) 6.666 4.877 ( 3.152 -7.864 1.456) 8.596 4.877 ( 3.153 7.864 1.457) 8.597 5.122 ( 4.452 -7.510 0.997) 8.787 5.122 ( 4.452 7.510 0.997) 8.787 5.348 ( 6.588 -4.642 0.632) 8.084 5.348 ( 6.589 4.644 0.633) 8.086 6.174 ( -4.678 -4.123 0.032) 6.236 6.174 ( -4.678 4.124 0.031) 6.236 6.791 ( 4.547 -1.534 3.989) 6.241 6.791 ( 4.546 1.536 3.991) 6.242 7.372 ( 3.716 -2.158 0.970) 4.406 7.372 ( 3.717 2.159 0.969) 4.407 7.627 ( 0.355 -4.108 1.776) 4.489 7.627 ( 0.355 4.108 1.776) 4.489 7.824 ( -3.403 -4.899 -5.382) 8.034 7.824 ( -3.403 4.899 -5.381) 8.033 8.691 ( -5.668 -2.502 1.216) 6.314 8.692 ( -5.668 2.503 1.216) 6.315 9.434 ( -3.757 -4.932 -4.523) 7.675 9.434 ( -3.756 4.932 -4.524) 7.675 9.709 ( -2.750 -4.639 -0.271) 5.400 9.709 ( -2.749 4.640 -0.271) 5.400 10.393 ( 3.525 -0.197 4.916) 6.052 10.393 ( 3.526 0.198 4.916) 6.053 10.683 ( 3.127 -4.921 2.619) 6.392 10.683 ( 3.125 4.921 2.620) 6.391 11.047 ( 0.285 -3.972 -4.945) 6.349 11.047 ( 0.285 3.972 -4.944) 6.348 11.560 ( -5.939 -3.146 -1.176) 6.823 11.560 ( -5.944 3.147 -1.178) 6.828 12.558 ( 1.153 -6.798 1.454) 7.047 12.558 ( 1.153 6.798 1.455) 7.047 12.902 ( 5.939 -3.052 1.272) 6.798 12.902 ( 5.939 3.053 1.272) 6.798 14.785 ( -18.758 -14.384 -1.637) 23.694 14.785 ( -18.757 14.385 -1.637) 23.694 15.078 ( -3.964 -8.861 2.783) 10.098 15.078 ( -3.963 8.861 2.783) 10.099 15.846 ( -2.777 -4.687 -0.470) 5.468 15.846 ( -2.777 4.688 -0.470) 5.469 16.520 ( -1.873 -10.542 6.958) 12.769 16.520 ( -1.873 10.542 6.959) 12.770 17.153 ( 1.603 -7.917 -8.750) 11.908 17.153 ( 1.604 7.917 -8.750) 11.908 18.530 ( 11.748 -21.310 1.276) 24.367 18.530 ( 11.749 21.310 1.276) 24.367 ======================= Grid point 163 (85/170) ======================= q-point: (-0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -1.564 -10.225 -5.259) 11.604 1.919 ( -1.563 10.227 -5.259) 11.606 2.224 ( -0.167 -15.216 -0.356) 15.222 2.224 ( -0.167 15.216 -0.355) 15.221 2.742 ( 6.726 -2.433 -1.535) 7.315 2.742 ( 6.726 2.431 -1.535) 7.315 2.893 ( -1.503 -5.509 -5.984) 8.271 2.893 ( -1.503 5.510 -5.984) 8.272 3.099 ( 0.720 -11.789 8.151) 14.350 3.099 ( 0.720 11.789 8.150) 14.350 3.272 ( 1.079 -0.933 -3.503) 3.782 3.272 ( 1.079 0.932 -3.503) 3.782 4.161 ( 1.724 -2.217 6.190) 6.797 4.161 ( 1.723 2.217 6.189) 6.796 4.905 ( -0.207 -5.659 -0.092) 5.663 4.905 ( -0.207 5.658 -0.092) 5.663 5.205 ( 2.781 -3.271 2.053) 4.759 5.205 ( 2.781 3.271 2.053) 4.759 5.425 ( 2.922 -1.604 -0.679) 3.401 5.425 ( 2.922 1.606 -0.678) 3.402 6.116 ( -2.757 -2.968 0.253) 4.059 6.116 ( -2.757 2.968 0.253) 4.059 6.906 ( 5.152 -1.224 -0.948) 5.380 6.906 ( 5.152 1.225 -0.947) 5.380 7.449 ( 5.043 -2.772 0.959) 5.834 7.449 ( 5.044 2.772 0.959) 5.834 7.596 ( -2.498 -1.535 -3.080) 4.253 7.596 ( -2.498 1.535 -3.080) 4.252 7.735 ( -4.602 -6.500 1.174) 8.051 7.735 ( -4.603 6.500 1.174) 8.051 8.630 ( -4.589 -2.511 4.071) 6.629 8.630 ( -4.589 2.511 4.071) 6.629 9.370 ( 0.759 -4.119 -2.750) 5.011 9.370 ( 0.759 4.120 -2.751) 5.011 9.666 ( -0.916 -4.571 -1.812) 5.001 9.666 ( -0.916 4.571 -1.812) 5.002 10.466 ( -0.821 -1.562 1.980) 2.652 10.466 ( -0.821 1.563 1.980) 2.653 10.711 ( 0.129 -4.776 -2.211) 5.264 10.711 ( 0.129 4.775 -2.212) 5.264 11.052 ( 4.757 -2.539 0.475) 5.412 11.052 ( 4.756 2.539 0.475) 5.412 11.453 ( -4.756 -5.236 -1.117) 7.161 11.453 ( -4.759 5.237 -1.120) 7.164 12.602 ( 0.573 -10.488 2.028) 10.698 12.602 ( 0.573 10.488 2.028) 10.698 13.006 ( 4.330 -2.570 1.833) 5.358 13.006 ( 4.330 2.570 1.832) 5.358 14.499 ( -11.417 -15.399 -2.809) 19.374 14.499 ( -11.416 15.399 -2.809) 19.374 15.046 ( -4.055 -9.352 3.982) 10.944 15.046 ( -4.056 9.353 3.982) 10.945 15.798 ( -0.593 -4.170 -3.123) 5.243 15.798 ( -0.594 4.170 -3.123) 5.243 16.504 ( -3.353 -4.863 -2.893) 6.578 16.504 ( -3.353 4.864 -2.892) 6.578 17.166 ( 3.594 -8.878 3.371) 10.154 17.166 ( 3.596 8.878 3.372) 10.155 18.681 ( 5.978 -20.334 -0.657) 21.205 18.681 ( 5.979 20.334 -0.657) 21.205 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -24.344 0.000 22.482) 33.137 1.209 ( -3.842 0.000 27.375) 27.643 1.893 ( 7.911 0.000 25.060) 26.279 1.929 ( 18.856 0.000 -22.765) 29.560 2.337 ( 0.629 0.000 -11.811) 11.828 2.505 ( 8.177 0.000 5.815) 10.034 2.962 ( 0.423 0.000 2.899) 2.929 3.112 ( -5.248 0.000 1.567) 5.477 3.163 ( 2.477 0.000 -4.310) 4.971 3.363 ( -2.814 0.000 -8.557) 9.008 3.574 ( 0.345 0.000 6.794) 6.803 3.957 ( -1.006 0.000 -10.129) 10.179 4.239 ( -6.257 0.000 3.235) 7.043 4.376 ( -1.747 0.000 -2.224) 2.829 4.703 ( 0.052 0.000 7.155) 7.155 4.864 ( -1.130 0.000 13.146) 13.194 4.888 ( 3.628 0.000 2.969) 4.688 5.165 ( 0.078 0.000 -0.112) 0.137 5.532 ( -2.483 0.000 1.258) 2.784 5.739 ( 4.173 0.000 -7.477) 8.563 6.423 ( -4.481 0.000 -2.081) 4.941 6.542 ( 5.474 0.000 -7.930) 9.636 6.885 ( -1.069 0.000 1.991) 2.260 7.055 ( 0.946 0.000 -9.288) 9.336 7.138 ( -8.744 0.000 -1.747) 8.917 7.409 ( 7.602 0.000 -8.278) 11.240 7.576 ( 0.889 0.000 0.424) 0.985 7.617 ( -0.219 0.000 -0.064) 0.228 8.129 ( 2.517 0.000 9.182) 9.521 8.364 ( -2.299 0.000 -2.262) 3.225 8.925 ( 3.519 0.000 11.290) 11.826 9.142 ( 3.506 0.000 3.004) 4.617 9.165 ( -1.114 0.000 7.012) 7.100 9.556 ( -5.888 0.000 -1.202) 6.009 9.562 ( 1.128 0.000 -1.382) 1.785 9.605 ( -0.844 0.000 -16.175) 16.197 10.027 ( 4.914 0.000 3.545) 6.059 10.071 ( -1.665 0.000 1.113) 2.003 10.274 ( -3.321 0.000 4.389) 5.503 10.520 ( -1.426 0.000 -4.024) 4.269 11.068 ( 10.453 0.000 5.810) 11.959 11.585 ( -5.400 0.000 9.877) 11.256 11.591 ( -12.813 0.000 -12.443) 17.861 11.845 ( 8.728 0.000 -3.914) 9.566 11.906 ( 2.176 0.000 14.033) 14.200 12.453 ( 1.413 0.000 -10.700) 10.793 12.884 ( -11.660 0.000 4.306) 12.429 13.129 ( 13.303 0.000 -7.098) 15.078 13.942 ( -17.271 0.000 18.985) 25.665 14.830 ( 11.281 0.000 -18.286) 21.486 14.897 ( 3.313 0.000 15.210) 15.566 15.690 ( -9.946 0.000 -15.190) 18.157 15.713 ( 5.056 0.000 3.827) 6.341 15.903 ( 1.283 0.000 -11.672) 11.742 16.197 ( 0.481 0.000 7.065) 7.081 16.441 ( -3.972 0.000 -1.720) 4.329 16.652 ( -0.095 0.000 -1.699) 1.702 16.678 ( 3.619 0.000 -4.098) 5.467 18.591 ( -0.376 0.000 22.231) 22.234 19.352 ( 0.487 0.000 -13.080) 13.089 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.498 0.000 18.296) 18.627 1.506 ( 3.705 0.000 24.101) 24.384 1.992 ( 15.969 0.000 -18.536) 24.466 2.058 ( 8.821 0.000 -17.517) 19.613 2.317 ( -5.722 0.000 7.242) 9.229 2.597 ( 0.334 0.000 -4.951) 4.962 2.957 ( -3.622 0.000 1.330) 3.859 3.102 ( -1.644 0.000 8.981) 9.130 3.128 ( -1.101 0.000 -3.671) 3.832 3.217 ( -3.573 0.000 -4.139) 5.468 3.644 ( -2.076 0.000 8.742) 8.986 3.811 ( -3.400 0.000 -9.857) 10.427 4.207 ( -2.353 0.000 4.686) 5.244 4.357 ( 2.448 0.000 -0.872) 2.599 4.794 ( 1.790 0.000 5.637) 5.915 4.951 ( 3.932 0.000 -2.789) 4.821 4.985 ( -1.396 0.000 12.873) 12.948 5.169 ( 0.544 0.000 -1.402) 1.504 5.440 ( -8.931 0.000 -0.028) 8.931 5.678 ( -1.795 0.000 -6.594) 6.834 6.304 ( -6.559 0.000 -1.984) 6.852 6.493 ( -0.241 0.000 -5.006) 5.012 6.870 ( -1.458 0.000 2.219) 2.655 7.073 ( 7.326 0.000 -3.810) 8.258 7.084 ( -2.604 0.000 4.995) 5.633 7.382 ( 2.828 0.000 -7.492) 8.008 7.638 ( 3.966 0.000 -1.312) 4.178 7.683 ( 9.168 0.000 -0.523) 9.183 8.259 ( 1.840 0.000 7.281) 7.510 8.285 ( -2.470 0.000 -4.914) 5.499 9.097 ( -0.648 0.000 13.234) 13.250 9.141 ( -4.301 0.000 -1.837) 4.677 9.233 ( 2.648 0.000 2.900) 3.927 9.333 ( -6.509 0.000 -17.284) 18.469 9.462 ( -4.311 0.000 1.481) 4.558 9.587 ( 0.930 0.000 0.633) 1.125 10.067 ( 0.226 0.000 -2.406) 2.416 10.121 ( 2.610 0.000 0.638) 2.687 10.320 ( 0.334 0.000 9.696) 9.701 10.492 ( 3.247 0.000 -1.044) 3.411 11.201 ( -13.922 0.000 -16.164) 21.333 11.365 ( 8.203 0.000 13.006) 15.377 11.579 ( -3.084 0.000 6.145) 6.875 11.892 ( 3.006 0.000 -5.068) 5.892 12.072 ( -0.265 0.000 12.580) 12.583 12.328 ( 0.032 0.000 -13.491) 13.491 12.745 ( -10.214 0.000 3.806) 10.900 13.260 ( 11.207 0.000 -6.875) 13.148 13.974 ( -7.424 0.000 22.524) 23.716 14.819 ( 11.886 0.000 -16.672) 20.475 15.110 ( 0.413 0.000 16.123) 16.129 15.345 ( -7.793 0.000 -17.304) 18.978 15.801 ( -0.642 0.000 -7.964) 7.990 15.848 ( 4.527 0.000 3.829) 5.929 16.284 ( -1.227 0.000 8.890) 8.975 16.362 ( -1.975 0.000 -3.367) 3.903 16.678 ( 6.417 0.000 -4.265) 7.705 16.722 ( 6.829 0.000 -1.232) 6.939 18.807 ( -2.653 0.000 20.047) 20.222 19.171 ( -2.378 0.000 -15.754) 15.933 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.992 0.000 9.863) 12.090 1.845 ( 7.660 0.000 17.334) 18.951 1.964 ( 4.218 0.000 -18.645) 19.116 2.004 ( 6.560 0.000 -12.408) 14.035 2.164 ( -7.295 0.000 -5.743) 9.284 2.476 ( -0.437 0.000 -10.892) 10.901 2.906 ( -5.772 0.000 3.771) 6.895 3.050 ( -2.631 0.000 -5.311) 5.927 3.141 ( -5.883 0.000 0.489) 5.903 3.183 ( -2.347 0.000 7.589) 7.944 3.613 ( -7.498 0.000 -9.593) 12.175 3.710 ( -3.144 0.000 10.418) 10.882 4.283 ( 3.014 0.000 7.446) 8.033 4.457 ( 9.372 0.000 0.869) 9.412 4.885 ( 3.295 0.000 3.357) 4.703 4.952 ( 1.327 0.000 -5.726) 5.878 5.116 ( 1.533 0.000 9.605) 9.727 5.138 ( 2.349 0.000 -7.134) 7.510 5.263 ( -11.563 0.000 0.379) 11.570 5.541 ( -5.731 0.000 -6.177) 8.426 6.194 ( -4.731 0.000 0.104) 4.732 6.473 ( 1.238 0.000 0.159) 1.248 6.921 ( 0.849 0.000 7.015) 7.066 7.081 ( -4.420 0.000 2.553) 5.105 7.091 ( 2.318 0.000 -9.625) 9.900 7.405 ( 3.090 0.000 3.511) 4.677 7.728 ( 6.651 0.000 2.181) 6.999 7.825 ( 9.508 0.000 -2.026) 9.722 8.170 ( -2.216 0.000 -8.289) 8.580 8.340 ( -0.427 0.000 4.228) 4.250 9.004 ( -9.445 0.000 -14.972) 17.702 9.027 ( -6.515 0.000 -2.204) 6.877 9.147 ( -11.426 0.000 10.007) 15.189 9.277 ( 2.679 0.000 0.587) 2.743 9.493 ( 2.721 0.000 5.668) 6.287 9.637 ( 2.717 0.000 2.414) 3.635 10.053 ( 3.762 0.000 -4.860) 6.146 10.158 ( 2.941 0.000 0.802) 3.048 10.450 ( 2.026 0.000 8.351) 8.593 10.588 ( 7.090 0.000 -5.018) 8.686 10.823 ( -10.258 0.000 -7.995) 13.006 11.392 ( -10.182 0.000 4.556) 11.155 11.790 ( 8.730 0.000 8.977) 12.522 11.835 ( -2.186 0.000 -5.860) 6.254 12.159 ( -0.300 0.000 -15.400) 15.403 12.212 ( 1.966 0.000 12.719) 12.870 12.644 ( -7.078 0.000 4.074) 8.167 13.320 ( 4.396 0.000 -5.825) 7.298 14.185 ( 2.834 0.000 20.329) 20.526 14.861 ( 10.848 0.000 -9.749) 14.585 15.073 ( -0.979 0.000 -16.631) 16.660 15.272 ( -3.117 0.000 17.091) 17.373 15.703 ( -1.346 0.000 -6.008) 6.157 15.885 ( -3.854 0.000 0.670) 3.912 16.297 ( -0.713 0.000 -4.574) 4.629 16.341 ( -4.378 0.000 9.102) 10.100 16.752 ( 9.912 0.000 -7.061) 12.170 16.916 ( 14.845 0.000 3.633) 15.283 18.935 ( -3.194 0.000 -17.155) 17.450 18.945 ( -5.594 0.000 16.406) 17.333 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 2.650 0.000 5.572) 6.170 1.813 ( -1.534 0.000 -4.741) 4.983 1.878 ( 2.082 0.000 -13.663) 13.821 2.113 ( 11.019 0.000 -11.933) 16.242 2.174 ( 7.731 0.000 7.411) 10.709 2.416 ( 1.531 0.000 2.375) 2.826 2.856 ( -5.450 0.000 3.855) 6.676 2.924 ( -3.777 0.000 -7.007) 7.960 3.002 ( -10.645 0.000 0.943) 10.687 3.174 ( -6.259 0.000 4.498) 7.707 3.348 ( -11.687 0.000 -8.916) 14.700 3.763 ( -4.896 0.000 9.992) 11.126 4.434 ( 5.391 0.000 4.973) 7.335 4.631 ( 10.320 0.000 -3.807) 11.000 4.860 ( -0.654 0.000 -7.809) 7.836 4.982 ( 5.843 0.000 0.315) 5.852 5.087 ( -8.500 0.000 2.254) 8.794 5.151 ( 7.099 0.000 -7.885) 10.610 5.219 ( 1.489 0.000 2.228) 2.680 5.361 ( -7.240 0.000 -6.164) 9.508 6.157 ( -2.217 0.000 3.526) 4.165 6.516 ( 0.825 0.000 3.245) 3.349 6.978 ( -5.504 0.000 -3.325) 6.430 6.984 ( -0.314 0.000 -9.150) 9.155 7.022 ( -2.260 0.000 9.426) 9.693 7.487 ( -2.253 0.000 6.251) 6.645 7.903 ( 7.671 0.000 6.842) 10.279 7.951 ( 8.764 0.000 -4.796) 9.990 8.062 ( 1.856 0.000 -5.379) 5.690 8.334 ( -3.827 0.000 1.298) 4.041 8.680 ( -12.447 0.000 -8.024) 14.809 8.942 ( -2.136 0.000 -0.562) 2.209 8.961 ( -14.458 0.000 -0.776) 14.479 9.391 ( 3.931 0.000 8.244) 9.134 9.615 ( 3.714 0.000 4.443) 5.791 9.709 ( 3.018 0.000 1.050) 3.196 10.078 ( 6.130 0.000 -6.057) 8.618 10.256 ( 4.338 0.000 3.460) 5.549 10.401 ( -3.391 0.000 -16.585) 16.928 10.570 ( 2.526 0.000 6.529) 7.001 10.882 ( 6.131 0.000 8.341) 10.352 11.262 ( -9.157 0.000 1.973) 9.367 11.699 ( -5.649 0.000 -6.045) 8.274 11.899 ( -2.382 0.000 2.842) 3.709 11.995 ( 1.941 0.000 -14.818) 14.945 12.442 ( 7.180 0.000 10.939) 13.085 12.613 ( -3.274 0.000 5.926) 6.771 13.274 ( -1.520 0.000 -6.089) 6.276 14.491 ( 8.733 0.000 15.644) 17.916 14.839 ( -1.631 0.000 -7.882) 8.049 15.055 ( 15.859 0.000 -8.958) 18.214 15.400 ( -5.667 0.000 18.164) 19.028 15.638 ( -0.297 0.000 -2.364) 2.383 15.756 ( -10.507 0.000 -0.769) 10.535 16.235 ( 0.011 0.000 -4.985) 4.985 16.345 ( -6.579 0.000 7.846) 10.239 16.837 ( 11.262 0.000 -9.008) 14.421 17.230 ( 14.991 0.000 4.551) 15.667 18.705 ( -0.634 0.000 -16.537) 16.549 18.987 ( -8.779 0.000 11.865) 14.759 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 9.184 0.000 10.434) 13.901 1.802 ( 4.294 0.000 -7.779) 8.885 1.803 ( -0.191 0.000 2.039) 2.048 2.196 ( 13.703 0.000 -10.333) 17.162 2.207 ( -2.096 0.000 -3.527) 4.103 2.600 ( 4.726 0.000 10.496) 11.511 2.778 ( -6.039 0.000 -5.684) 8.294 2.816 ( -4.275 0.000 3.896) 5.783 2.872 ( -5.008 0.000 2.103) 5.432 3.007 ( -14.132 0.000 -7.964) 16.221 3.166 ( -2.420 0.000 6.000) 6.470 3.759 ( -7.567 0.000 7.355) 10.552 4.530 ( 3.953 0.000 -3.688) 5.406 4.603 ( 2.249 0.000 -14.758) 14.928 4.873 ( 2.479 0.000 3.156) 4.013 4.978 ( -3.443 0.000 -3.389) 4.831 5.066 ( 4.483 0.000 -2.994) 5.390 5.141 ( -6.437 0.000 -6.089) 8.861 5.223 ( 10.755 0.000 -7.904) 13.347 5.232 ( -2.185 0.000 -2.722) 3.490 6.201 ( -0.365 0.000 7.927) 7.935 6.547 ( -1.956 0.000 3.132) 3.692 6.832 ( -4.737 0.000 -4.679) 6.659 6.912 ( -0.042 0.000 -2.905) 2.905 7.073 ( -3.637 0.000 7.309) 8.164 7.453 ( -3.737 0.000 -1.820) 4.157 7.940 ( 4.719 0.000 -9.225) 10.362 8.091 ( 3.878 0.000 6.793) 7.822 8.205 ( 8.094 0.000 7.098) 10.766 8.256 ( -5.228 0.000 -0.964) 5.316 8.445 ( -7.597 0.000 -2.192) 7.907 8.736 ( -10.203 0.000 0.147) 10.204 8.951 ( 1.390 0.000 3.071) 3.371 9.534 ( -0.097 0.000 8.624) 8.624 9.690 ( 2.037 0.000 -0.245) 2.052 9.748 ( 1.407 0.000 -0.805) 1.621 10.100 ( 5.198 0.000 -7.141) 8.833 10.152 ( -2.304 0.000 -10.648) 10.895 10.444 ( 7.492 0.000 4.766) 8.879 10.686 ( 2.818 0.000 6.228) 6.835 11.051 ( 3.205 0.000 5.636) 6.484 11.147 ( -6.220 0.000 0.118) 6.221 11.537 ( -5.208 0.000 -5.332) 7.453 11.837 ( -5.461 0.000 -0.488) 5.482 11.927 ( 7.422 0.000 -9.315) 11.911 12.598 ( 0.217 0.000 2.455) 2.464 12.668 ( 0.054 0.000 8.011) 8.011 13.162 ( -2.447 0.000 -5.776) 6.273 14.745 ( 0.740 0.000 -6.286) 6.329 14.787 ( 8.340 0.000 9.661) 12.763 15.247 ( 13.518 0.000 -2.891) 13.824 15.443 ( -10.513 0.000 7.653) 13.004 15.597 ( -10.136 0.000 9.696) 14.027 15.658 ( 2.975 0.000 2.424) 3.837 16.201 ( 1.797 0.000 -3.132) 3.611 16.311 ( -7.163 0.000 7.052) 10.052 16.922 ( 12.156 0.000 -9.967) 15.720 17.435 ( 5.140 0.000 -0.400) 5.156 18.584 ( 6.812 0.000 -12.032) 13.827 18.922 ( -12.047 0.000 7.209) 14.039 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 8.190 0.000 -1.098) 8.264 1.804 ( -5.411 0.000 5.075) 7.419 1.926 ( 6.940 0.000 18.524) 19.782 2.156 ( 9.136 0.000 -10.191) 13.687 2.336 ( 15.459 0.000 -7.593) 17.223 2.594 ( -9.389 0.000 -2.988) 9.853 2.595 ( -20.278 0.000 -5.018) 20.889 2.672 ( -2.451 0.000 2.752) 3.685 2.893 ( 3.229 0.000 2.167) 3.889 2.902 ( 0.399 0.000 4.673) 4.690 3.323 ( 9.102 0.000 10.337) 13.773 3.682 ( -9.564 0.000 4.484) 10.563 4.435 ( -2.316 0.000 -15.049) 15.226 4.463 ( 1.775 0.000 -15.681) 15.781 4.850 ( -5.452 0.000 -0.571) 5.482 4.954 ( -5.704 0.000 -6.090) 8.344 4.983 ( 6.729 0.000 -2.483) 7.172 5.079 ( 0.371 0.000 -3.308) 3.328 5.184 ( -2.031 0.000 0.587) 2.114 5.291 ( 7.273 0.000 -7.167) 10.211 6.312 ( 0.576 0.000 10.522) 10.538 6.519 ( -4.071 0.000 1.628) 4.384 6.756 ( 2.098 0.000 -3.706) 4.259 6.901 ( 0.255 0.000 -0.691) 0.736 7.071 ( -5.268 0.000 5.635) 7.714 7.360 ( -0.471 0.000 -7.720) 7.734 7.964 ( 7.332 0.000 -3.972) 8.338 8.091 ( -8.374 0.000 0.385) 8.383 8.207 ( 0.744 0.000 -0.657) 0.992 8.275 ( -0.840 0.000 -1.353) 1.593 8.529 ( 7.591 0.000 11.778) 14.012 8.661 ( -4.356 0.000 6.640) 7.941 9.044 ( 4.075 0.000 4.744) 6.254 9.539 ( -5.263 0.000 -0.634) 5.301 9.665 ( -2.587 0.000 -1.921) 3.222 9.743 ( -0.238 0.000 -1.177) 1.201 10.074 ( 2.562 0.000 -4.597) 5.263 10.084 ( 2.638 0.000 -7.125) 7.598 10.633 ( 7.485 0.000 6.140) 9.681 10.788 ( -0.273 0.000 6.759) 6.764 11.061 ( -2.019 0.000 -2.860) 3.501 11.081 ( -3.782 0.000 0.867) 3.880 11.451 ( -0.256 0.000 -0.225) 0.341 11.731 ( -4.853 0.000 -2.544) 5.480 12.040 ( 13.277 0.000 -2.160) 13.451 12.472 ( -11.728 0.000 -6.218) 13.274 12.778 ( 1.597 0.000 8.320) 8.472 13.095 ( 0.589 0.000 -4.164) 4.205 14.731 ( 3.491 0.000 -2.298) 4.179 14.905 ( -3.184 0.000 0.245) 3.193 15.319 ( -8.229 0.000 5.662) 9.988 15.408 ( 9.344 0.000 -1.418) 9.451 15.616 ( -5.606 0.000 12.686) 13.870 15.759 ( 3.222 0.000 2.986) 4.393 16.231 ( 3.060 0.000 1.120) 3.259 16.294 ( -4.914 0.000 8.878) 10.147 17.024 ( 13.796 0.000 -9.227) 16.597 17.372 ( -5.931 0.000 -8.147) 10.077 18.667 ( 13.866 0.000 -5.182) 14.803 18.754 ( -15.436 0.000 3.356) 15.797 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -5.923 0.000 2.358) 6.375 1.857 ( -3.162 0.000 5.769) 6.579 2.173 ( 10.093 0.000 -7.093) 12.336 2.180 ( -20.313 0.000 -4.637) 20.836 2.296 ( 13.052 0.000 -5.403) 14.126 2.494 ( -1.568 0.000 10.922) 11.034 2.543 ( 14.947 0.000 -3.202) 15.286 2.673 ( -1.041 0.000 2.999) 3.174 2.939 ( -0.247 0.000 1.437) 1.458 2.983 ( 4.512 0.000 1.008) 4.623 3.551 ( -10.389 0.000 1.388) 10.481 3.628 ( 12.155 0.000 10.072) 15.786 4.217 ( -1.618 0.000 -12.291) 12.397 4.311 ( 2.767 0.000 -16.644) 16.873 4.767 ( -11.116 0.000 -0.920) 11.154 4.783 ( -2.032 0.000 0.952) 2.243 5.056 ( 3.610 0.000 -1.180) 3.797 5.072 ( 0.620 0.000 -2.831) 2.898 5.150 ( -0.285 0.000 -0.737) 0.790 5.301 ( 2.550 0.000 -4.852) 5.481 6.433 ( 0.607 0.000 8.625) 8.646 6.487 ( -0.966 0.000 1.540) 1.818 6.833 ( 9.437 0.000 -0.330) 9.443 6.870 ( -0.076 0.000 -6.120) 6.121 7.034 ( -6.206 0.000 5.203) 8.098 7.291 ( 1.908 0.000 -5.230) 5.568 7.930 ( -9.751 0.000 -0.743) 9.779 8.060 ( 6.015 0.000 -0.518) 6.037 8.223 ( 2.604 0.000 -0.507) 2.653 8.296 ( 6.878 0.000 -3.553) 7.742 8.676 ( -4.538 0.000 6.233) 7.710 8.771 ( 4.620 0.000 9.700) 10.744 9.187 ( 6.613 0.000 5.708) 8.735 9.363 ( -6.935 0.000 -9.946) 12.126 9.614 ( -4.165 0.000 2.927) 5.090 9.732 ( -0.154 0.000 0.819) 0.833 10.032 ( 0.200 0.000 -5.846) 5.850 10.077 ( 2.451 0.000 -3.915) 4.618 10.780 ( -8.094 0.000 2.847) 8.581 10.795 ( 0.566 0.000 6.878) 6.901 11.017 ( 0.841 0.000 -2.151) 2.309 11.045 ( 3.558 0.000 -1.722) 3.953 11.520 ( 4.178 0.000 5.357) 6.793 11.630 ( -2.947 0.000 -3.793) 4.803 12.136 ( -17.560 0.000 -7.863) 19.240 12.270 ( 13.170 0.000 2.318) 13.372 12.891 ( 1.342 0.000 6.764) 6.896 13.054 ( 0.513 0.000 -5.431) 5.455 14.747 ( -11.395 0.000 -1.394) 11.480 14.804 ( 5.383 0.000 1.600) 5.616 15.264 ( -9.316 0.000 6.151) 11.163 15.539 ( 8.867 0.000 -2.079) 9.107 15.690 ( 0.425 0.000 7.151) 7.163 15.791 ( -0.553 0.000 0.408) 0.688 16.308 ( 2.199 0.000 3.903) 4.480 16.341 ( -2.221 0.000 7.888) 8.195 17.113 ( -9.973 0.000 -11.666) 15.348 17.182 ( 15.177 0.000 -5.249) 16.059 18.494 ( -19.146 0.000 1.414) 19.199 18.879 ( 15.416 0.000 -1.750) 15.515 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -21.805 0.000 -4.668) 22.299 1.666 ( -9.921 0.000 -0.293) 9.925 1.849 ( -6.971 0.000 -2.743) 7.491 2.299 ( 9.129 0.000 -5.675) 10.749 2.402 ( 5.356 0.000 -6.954) 8.777 2.592 ( -0.551 0.000 9.856) 9.872 2.698 ( 2.059 0.000 -0.553) 2.132 2.804 ( 15.950 0.000 1.370) 16.008 2.945 ( 1.616 0.000 -0.469) 1.682 3.034 ( 1.624 0.000 -2.135) 2.682 3.389 ( -6.146 0.000 -2.684) 6.707 3.912 ( 10.728 0.000 5.132) 11.893 4.160 ( 1.764 0.000 -0.346) 1.798 4.230 ( 5.294 0.000 -7.323) 9.036 4.626 ( -7.993 0.000 6.078) 10.041 4.809 ( 0.444 0.000 5.010) 5.030 4.978 ( -8.602 0.000 0.532) 8.619 5.058 ( -0.911 0.000 -1.374) 1.649 5.211 ( 10.526 0.000 -5.403) 11.832 5.284 ( 0.839 0.000 -2.744) 2.869 6.525 ( 2.953 0.000 0.416) 2.982 6.530 ( 1.541 0.000 5.474) 5.687 6.782 ( 1.719 0.000 -8.431) 8.605 6.915 ( -2.623 0.000 -2.103) 3.362 7.093 ( 6.524 0.000 10.149) 12.065 7.305 ( 4.378 0.000 -2.703) 5.145 7.788 ( -6.020 0.000 0.015) 6.020 8.146 ( 4.167 0.000 2.006) 4.625 8.276 ( 2.077 0.000 1.156) 2.377 8.370 ( 7.061 0.000 -6.972) 9.923 8.618 ( -5.758 0.000 -1.227) 5.887 8.845 ( -2.748 0.000 1.268) 3.026 9.149 ( -4.844 0.000 -8.665) 9.927 9.395 ( 7.961 0.000 7.659) 11.048 9.586 ( -4.500 0.000 4.849) 6.615 9.774 ( 3.648 0.000 1.643) 4.001 9.971 ( -1.367 0.000 -2.395) 2.757 10.056 ( 0.608 0.000 -4.116) 4.160 10.619 ( -9.812 0.000 -2.926) 10.239 10.768 ( -7.279 0.000 3.343) 8.011 11.100 ( 1.391 0.000 2.336) 2.719 11.125 ( 10.835 0.000 -0.095) 10.835 11.552 ( -0.683 0.000 -4.547) 4.598 11.681 ( 6.487 0.000 6.414) 9.122 11.771 ( -17.137 0.000 -3.940) 17.584 12.494 ( 8.653 0.000 4.328) 9.675 12.968 ( 0.195 0.000 4.768) 4.772 12.991 ( 0.577 0.000 -6.880) 6.904 14.566 ( -10.883 0.000 3.185) 11.340 14.913 ( 4.062 0.000 1.829) 4.455 15.122 ( -14.556 0.000 3.390) 14.945 15.636 ( 8.333 0.000 -5.945) 10.236 15.743 ( -0.738 0.000 0.780) 1.073 15.817 ( 1.873 0.000 4.207) 4.606 16.364 ( -0.877 0.000 0.258) 0.914 16.380 ( 0.988 0.000 4.346) 4.457 16.845 ( -6.462 0.000 -9.355) 11.370 17.384 ( 13.126 0.000 -2.430) 13.349 18.170 ( -22.690 0.000 3.850) 23.015 19.111 ( 14.370 0.000 -1.455) 14.444 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -24.555 0.000 1.553) 24.604 1.376 ( -23.693 0.000 7.645) 24.896 1.884 ( 13.256 0.000 -11.535) 17.572 2.147 ( -21.638 0.000 1.628) 21.699 2.312 ( -1.641 0.000 -10.958) 11.081 2.735 ( 4.198 0.000 -1.320) 4.401 2.740 ( 4.676 0.000 1.431) 4.891 3.004 ( 3.777 0.000 -5.694) 6.833 3.005 ( 4.946 0.000 0.597) 4.982 3.078 ( 13.195 0.000 3.581) 13.673 3.347 ( 3.782 0.000 -2.528) 4.549 4.068 ( 8.024 0.000 -4.057) 8.991 4.203 ( -0.861 0.000 6.185) 6.245 4.329 ( 5.338 0.000 6.527) 8.432 4.636 ( -2.310 0.000 7.796) 8.131 4.824 ( -8.136 0.000 4.830) 9.462 4.838 ( -9.628 0.000 2.139) 9.863 5.091 ( 7.253 0.000 1.789) 7.471 5.266 ( -0.015 0.000 -1.474) 1.474 5.361 ( 15.284 0.000 -6.085) 16.451 6.517 ( 1.959 0.000 -8.564) 8.785 6.590 ( -0.236 0.000 2.051) 2.065 6.827 ( -3.376 0.000 -1.207) 3.585 6.839 ( 10.508 0.000 0.643) 10.528 7.343 ( 6.220 0.000 13.052) 14.458 7.346 ( 4.619 0.000 -4.257) 6.281 7.733 ( -1.328 0.000 -0.360) 1.376 8.209 ( -11.744 0.000 -2.203) 11.949 8.258 ( 4.792 0.000 4.787) 6.773 8.309 ( -2.493 0.000 -12.566) 12.811 8.557 ( 4.487 0.000 -3.352) 5.601 8.777 ( -6.208 0.000 3.953) 7.360 9.029 ( -1.072 0.000 -4.177) 4.313 9.547 ( 2.149 0.000 2.611) 3.381 9.581 ( -3.106 0.000 5.895) 6.663 9.862 ( 7.047 0.000 -4.179) 8.193 9.962 ( 0.660 0.000 2.820) 2.896 10.007 ( -1.458 0.000 -3.271) 3.582 10.441 ( -6.288 0.000 -3.500) 7.197 10.693 ( -4.595 0.000 1.212) 4.752 11.113 ( -2.505 0.000 0.839) 2.642 11.315 ( 12.445 0.000 -0.829) 12.473 11.513 ( -4.528 0.000 -0.237) 4.535 11.526 ( -6.705 0.000 2.791) 7.263 11.851 ( 5.775 0.000 4.680) 7.433 12.623 ( 1.951 0.000 1.951) 2.759 12.933 ( 2.642 0.000 -7.432) 7.888 13.017 ( -0.400 0.000 4.817) 4.833 14.468 ( -10.011 0.000 9.475) 13.784 14.860 ( -18.937 0.000 0.174) 18.938 14.946 ( 1.517 0.000 -4.176) 4.443 15.688 ( -2.961 0.000 -2.960) 4.187 15.724 ( 9.063 0.000 -2.960) 9.534 15.923 ( 3.203 0.000 5.386) 6.266 16.323 ( 1.976 0.000 -8.752) 8.972 16.448 ( 0.990 0.000 4.796) 4.897 16.708 ( -0.527 0.000 -5.829) 5.853 17.446 ( -2.235 0.000 -10.697) 10.928 17.940 ( -13.923 0.000 17.553) 22.404 19.305 ( 11.949 0.000 -3.175) 12.364 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -14.068 0.000 26.541) 30.039 1.127 ( -22.181 0.000 16.983) 27.936 1.744 ( -33.753 0.000 11.790) 35.753 1.929 ( 12.292 0.000 -18.875) 22.525 2.208 ( 4.490 0.000 -7.792) 8.993 2.681 ( -2.458 0.000 -10.187) 10.480 2.810 ( 4.457 0.000 1.426) 4.679 3.076 ( 8.258 0.000 -3.703) 9.050 3.096 ( 3.903 0.000 1.714) 4.263 3.311 ( 8.998 0.000 4.440) 10.034 3.407 ( 6.138 0.000 -3.099) 6.876 4.113 ( 5.023 0.000 -6.951) 8.576 4.275 ( -2.181 0.000 10.187) 10.418 4.473 ( 2.278 0.000 3.803) 4.434 4.672 ( -2.086 0.000 4.518) 4.977 4.721 ( -8.396 0.000 7.032) 10.952 4.723 ( -8.054 0.000 4.189) 9.079 5.202 ( 0.499 0.000 -0.747) 0.898 5.325 ( 8.188 0.000 3.713) 8.990 5.556 ( 15.723 0.000 -6.370) 16.964 6.466 ( 5.841 0.000 -10.160) 11.720 6.565 ( -3.385 0.000 0.191) 3.391 6.808 ( 1.530 0.000 -0.321) 1.564 7.064 ( 13.661 0.000 1.121) 13.707 7.341 ( 2.498 0.000 -7.869) 8.256 7.555 ( -0.434 0.000 13.851) 13.858 7.674 ( -5.317 0.000 -5.464) 7.624 7.966 ( -8.463 0.000 -1.617) 8.616 8.021 ( -12.491 0.000 -13.085) 18.090 8.385 ( 3.561 0.000 2.821) 4.543 8.637 ( 4.711 0.000 2.026) 5.128 8.801 ( -2.952 0.000 15.645) 15.921 9.011 ( 2.484 0.000 -1.533) 2.919 9.550 ( 0.440 0.000 -3.249) 3.279 9.619 ( 0.157 0.000 4.448) 4.450 9.874 ( 4.137 0.000 -10.282) 11.083 9.942 ( -2.691 0.000 -1.343) 3.007 10.055 ( 4.088 0.000 6.457) 7.642 10.317 ( -4.295 0.000 -5.281) 6.807 10.641 ( -2.117 0.000 -1.089) 2.380 11.041 ( -2.533 0.000 -5.872) 6.395 11.449 ( -8.381 0.000 14.337) 16.606 11.513 ( 13.380 0.000 -2.022) 13.532 11.574 ( 2.458 0.000 5.077) 5.641 11.947 ( 0.756 0.000 1.157) 1.382 12.608 ( -1.294 0.000 -3.907) 4.116 12.927 ( 6.863 0.000 -7.065) 9.850 13.052 ( -3.659 0.000 5.936) 6.973 14.373 ( -22.131 0.000 13.354) 25.848 14.615 ( -5.898 0.000 2.414) 6.373 14.897 ( 4.073 0.000 -11.030) 11.758 15.621 ( -1.483 0.000 -1.482) 2.097 15.845 ( 5.923 0.000 0.522) 5.946 16.026 ( 1.444 0.000 5.967) 6.140 16.233 ( 5.548 0.000 -18.479) 19.294 16.508 ( -0.624 0.000 4.609) 4.651 16.666 ( 2.929 0.000 -5.714) 6.421 17.120 ( -18.233 0.000 -8.756) 20.226 18.078 ( -0.956 0.000 21.832) 21.853 19.423 ( 8.467 0.000 -6.157) 10.469 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -14.653 0.000 25.316) 29.250 1.165 ( -20.525 0.000 23.815) 31.439 1.480 ( -12.649 0.000 33.836) 36.123 1.905 ( 14.109 0.000 -21.635) 25.829 2.298 ( 10.483 0.000 0.204) 10.485 2.502 ( -1.246 0.000 -14.737) 14.790 2.899 ( 2.743 0.000 3.222) 4.232 3.146 ( 5.430 0.000 -4.097) 6.802 3.149 ( -0.463 0.000 1.659) 1.722 3.443 ( 3.360 0.000 -5.942) 6.827 3.470 ( 3.918 0.000 5.444) 6.708 4.071 ( 1.369 0.000 -9.732) 9.828 4.311 ( -6.346 0.000 5.930) 8.685 4.447 ( -3.741 0.000 -1.666) 4.095 4.653 ( -3.757 0.000 5.385) 6.566 4.733 ( -1.136 0.000 10.431) 10.493 4.775 ( 1.117 0.000 9.001) 9.070 5.180 ( -0.939 0.000 -0.900) 1.300 5.486 ( 5.093 0.000 2.789) 5.806 5.702 ( 10.754 0.000 -7.455) 13.085 6.492 ( 9.800 0.000 -8.789) 13.164 6.503 ( -3.478 0.000 -1.012) 3.622 6.849 ( 2.193 0.000 1.383) 2.593 7.211 ( 1.864 0.000 -13.950) 14.074 7.297 ( 8.642 0.000 -1.143) 8.718 7.398 ( -14.468 0.000 -6.954) 16.053 7.628 ( -3.469 0.000 5.131) 6.193 7.698 ( -10.700 0.000 -6.281) 12.407 7.984 ( 2.632 0.000 7.467) 7.918 8.411 ( -1.107 0.000 -0.571) 1.246 8.756 ( 3.797 0.000 7.199) 8.139 9.010 ( 1.341 0.000 18.658) 18.706 9.061 ( 3.542 0.000 0.960) 3.670 9.534 ( 2.951 0.000 -3.400) 4.502 9.641 ( -1.784 0.000 -0.553) 1.867 9.782 ( 1.313 0.000 -13.833) 13.895 9.928 ( 1.176 0.000 2.845) 3.079 10.159 ( -5.813 0.000 -3.036) 6.558 10.225 ( 3.931 0.000 5.183) 6.505 10.588 ( -1.518 0.000 -3.204) 3.545 10.943 ( 1.677 0.000 -4.227) 4.547 11.523 ( -4.510 0.000 14.625) 15.305 11.703 ( 12.432 0.000 -2.765) 12.736 11.711 ( 2.480 0.000 11.901) 12.157 11.870 ( -7.584 0.000 -5.440) 9.334 12.533 ( 0.908 0.000 -7.920) 7.971 13.002 ( 11.308 0.000 -6.831) 13.211 13.009 ( -9.202 0.000 5.234) 10.587 14.109 ( -23.841 0.000 13.075) 27.191 14.692 ( 2.082 0.000 11.736) 11.919 14.853 ( 8.929 0.000 -15.777) 18.128 15.618 ( 1.506 0.000 2.007) 2.509 15.887 ( -2.537 0.000 0.098) 2.539 16.067 ( 1.956 0.000 -18.506) 18.609 16.117 ( 3.462 0.000 -0.513) 3.500 16.514 ( -3.274 0.000 1.302) 3.523 16.667 ( 4.345 0.000 -5.385) 6.919 16.773 ( -13.004 0.000 -2.896) 13.323 18.332 ( 0.625 0.000 22.696) 22.705 19.441 ( 4.417 0.000 -9.676) 10.636 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -10.532 5.967 19.738) 23.154 1.480 ( -4.271 14.544 22.436) 27.076 1.834 ( 9.997 -0.073 -14.798) 17.859 2.109 ( 6.757 12.617 8.750) 16.775 2.396 ( 3.158 4.205 -2.359) 5.764 2.533 ( 6.506 2.638 2.416) 7.425 2.924 ( 0.087 -4.122 1.775) 4.488 3.105 ( -2.589 -0.360 2.061) 3.329 3.145 ( 0.750 -3.137 -5.857) 6.686 3.321 ( -2.519 -3.098 -7.646) 8.626 3.550 ( 0.210 -1.986 7.164) 7.437 3.894 ( -1.525 -5.641 -7.997) 9.904 4.287 ( -5.349 4.539 2.679) 7.510 4.421 ( 0.060 3.798 -2.128) 4.354 4.730 ( 1.515 0.182 7.487) 7.641 4.796 ( -1.374 -1.256 7.582) 7.807 4.963 ( 1.432 4.204 6.882) 8.190 5.147 ( -0.653 -1.789 -0.103) 1.907 5.516 ( -2.128 -1.689 0.332) 2.737 5.686 ( 3.729 -4.912 -6.898) 9.253 6.370 ( -2.424 -4.685 -1.118) 5.392 6.448 ( 1.037 -6.905 -3.815) 7.957 6.902 ( 1.388 -0.394 -3.580) 3.860 6.975 ( -1.566 -5.308 -7.715) 9.494 7.243 ( -7.779 7.332 -1.577) 10.806 7.453 ( 7.399 3.474 -6.479) 10.431 7.542 ( 1.097 -1.901 2.059) 3.010 7.622 ( 0.719 -0.364 -2.003) 2.159 8.071 ( 1.909 -5.251 8.275) 9.985 8.292 ( -1.630 -6.461 -2.312) 7.053 8.886 ( 2.705 -3.106 10.958) 11.707 9.095 ( 2.186 -3.395 7.735) 8.725 9.228 ( -0.329 3.929 2.708) 4.783 9.500 ( -0.305 -7.010 -13.783) 15.466 9.557 ( -2.000 0.477 -0.948) 2.265 9.632 ( -0.097 4.264 -2.291) 4.841 10.109 ( -0.289 5.233 0.795) 5.301 10.151 ( 3.273 7.350 3.336) 8.709 10.245 ( -2.830 -1.088 2.451) 3.899 10.593 ( -3.378 4.674 -5.427) 7.919 11.047 ( 7.668 -0.164 6.138) 9.823 11.520 ( -6.430 -5.661 -8.064) 11.765 11.566 ( -5.534 -2.628 6.824) 9.171 11.829 ( 4.850 -3.216 1.793) 6.090 11.939 ( 2.776 5.382 7.725) 9.816 12.505 ( -0.065 4.184 -11.570) 12.304 12.914 ( -9.304 2.687 4.412) 10.642 13.134 ( 11.989 0.563 -6.096) 13.461 13.939 ( -16.570 0.280 18.282) 24.675 14.710 ( 8.487 -7.852 -10.694) 15.750 14.930 ( 4.503 1.788 9.180) 10.380 15.642 ( -4.788 -4.957 -5.613) 8.888 15.729 ( 1.859 1.098 -6.935) 7.264 15.878 ( -0.929 -2.790 -9.248) 9.704 16.172 ( -1.961 -1.500 6.079) 6.562 16.474 ( 4.236 -1.571 -6.783) 8.150 16.724 ( -0.552 10.501 2.265) 10.756 16.860 ( -0.531 15.326 -4.176) 15.894 18.552 ( -0.100 -3.635 21.854) 22.154 19.297 ( 0.316 -5.108 -12.755) 13.743 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 3.226 10.007 14.995) 18.314 1.678 ( -0.403 13.163 18.247) 22.503 1.826 ( 13.614 -6.343 -19.368) 24.509 2.214 ( 7.631 6.547 -12.169) 15.786 2.381 ( -7.969 5.719 1.845) 9.981 2.655 ( 2.353 3.529 0.877) 4.331 2.899 ( -3.649 -4.868 -0.212) 6.088 3.077 ( -2.360 -3.468 0.713) 4.255 3.108 ( -0.299 -2.751 -0.321) 2.786 3.207 ( -3.025 0.647 -0.781) 3.191 3.625 ( -1.857 -1.789 8.383) 8.770 3.764 ( -3.502 -4.243 -7.740) 9.496 4.231 ( -3.949 2.618 3.052) 5.636 4.414 ( 1.999 4.999 -1.018) 5.479 4.839 ( 2.558 3.330 4.446) 6.115 4.869 ( 1.426 -4.619 5.006) 6.959 5.053 ( 1.100 3.818 5.514) 6.797 5.152 ( 0.938 -1.321 -0.336) 1.654 5.421 ( -8.161 -1.670 -1.234) 8.421 5.635 ( -0.975 -3.987 -5.579) 6.927 6.289 ( -5.503 -1.621 -0.686) 5.778 6.420 ( 0.709 -5.436 -2.401) 5.984 6.810 ( -1.959 -5.975 -1.870) 6.560 7.017 ( 5.779 -3.009 -1.376) 6.659 7.163 ( -3.799 5.051 3.110) 7.044 7.458 ( 2.940 5.779 -5.325) 8.391 7.602 ( 3.940 -3.177 -0.251) 5.068 7.676 ( 7.528 -0.563 -2.306) 7.893 8.137 ( -3.189 -8.340 2.596) 9.299 8.277 ( 3.339 -3.331 -0.582) 4.752 9.037 ( -1.077 -4.799 12.009) 12.977 9.137 ( -5.456 -1.560 -0.115) 5.676 9.239 ( 2.181 0.853 -0.957) 2.530 9.299 ( -3.596 -1.868 -12.616) 13.251 9.514 ( -2.308 3.843 1.248) 4.653 9.617 ( 0.979 2.168 -0.676) 2.473 10.107 ( -0.906 3.411 -2.162) 4.139 10.190 ( 3.017 5.488 1.085) 6.355 10.340 ( -0.455 2.142 7.626) 7.934 10.521 ( 3.818 2.275 -0.634) 4.490 11.187 ( -9.925 -2.268 -10.278) 14.467 11.292 ( 3.056 -4.600 6.795) 8.757 11.567 ( -4.431 -1.549 5.386) 7.145 11.895 ( 4.566 -1.305 -4.413) 6.483 12.096 ( 1.276 4.000 13.647) 14.278 12.357 ( -0.291 2.908 -13.364) 13.680 12.805 ( -8.840 5.210 3.219) 10.755 13.242 ( 8.501 -1.729 -5.717) 10.389 13.981 ( -5.174 1.218 20.758) 21.428 14.730 ( 11.042 -6.673 -13.063) 18.360 15.119 ( 0.512 0.699 13.892) 13.919 15.339 ( -6.711 -0.613 -16.074) 17.429 15.737 ( -1.955 -3.893 -6.285) 7.647 15.870 ( 4.823 -1.387 2.615) 5.659 16.233 ( 1.525 -0.047 5.831) 6.027 16.504 ( 8.466 1.937 -7.252) 11.315 16.748 ( -0.290 10.424 1.618) 10.553 16.816 ( 1.142 10.366 -2.042) 10.627 18.764 ( -2.815 -3.913 19.555) 20.141 19.115 ( -2.818 -5.233 -15.382) 16.491 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 8.136 10.612 8.206) 15.689 1.788 ( 10.622 -5.336 -12.286) 17.096 1.905 ( 3.314 1.711 2.457) 4.466 2.127 ( -14.056 2.416 -6.156) 15.534 2.180 ( 4.806 6.533 -7.420) 10.993 2.632 ( 0.270 10.787 -5.837) 12.268 2.841 ( -5.599 -5.570 3.890) 8.803 3.002 ( -2.276 -5.414 -5.999) 8.395 3.124 ( -3.320 -3.208 3.932) 6.064 3.181 ( -4.457 1.899 3.680) 6.084 3.576 ( -7.155 -3.148 -7.136) 10.584 3.695 ( -3.143 -1.921 8.073) 8.873 4.258 ( 1.988 -1.451 4.888) 5.473 4.483 ( 6.482 2.046 0.846) 6.850 4.858 ( 0.241 -3.198 -4.626) 5.629 4.979 ( 3.188 3.179 5.172) 6.857 5.090 ( 0.173 -0.641 -0.947) 1.157 5.189 ( 0.816 2.014 2.848) 3.582 5.258 ( -6.823 0.359 -1.617) 7.021 5.536 ( -3.355 -0.576 -5.441) 6.418 6.199 ( -4.575 -0.086 0.386) 4.592 6.436 ( 1.667 -3.004 1.644) 3.809 6.819 ( 2.283 -7.942 0.680) 8.291 7.055 ( -1.304 -0.362 2.130) 2.523 7.160 ( -0.105 2.049 -0.847) 2.220 7.449 ( -1.136 4.304 1.503) 4.698 7.673 ( 3.648 -5.294 1.790) 6.674 7.780 ( 8.478 -3.989 -3.516) 10.007 8.088 ( -0.270 -5.583 -2.514) 6.129 8.318 ( 0.395 -3.253 -0.864) 3.389 8.986 ( -4.442 -1.435 -11.711) 12.607 9.032 ( -9.769 -0.303 -1.351) 9.866 9.115 ( -6.916 -1.244 7.500) 10.277 9.291 ( 1.453 1.082 -0.460) 1.869 9.541 ( 2.437 3.324 3.852) 5.641 9.654 ( 2.149 1.542 1.785) 3.191 10.106 ( 3.933 4.675 -2.162) 6.480 10.222 ( 1.837 5.338 -1.336) 5.801 10.396 ( 3.351 -2.550 3.057) 5.204 10.671 ( 5.826 4.919 1.488) 7.769 10.882 ( -8.489 5.135 -6.536) 11.881 11.305 ( -9.706 -7.750 4.387) 13.173 11.628 ( 1.437 -10.008 5.111) 11.329 11.886 ( 0.753 0.678 -4.080) 4.204 12.199 ( 0.164 4.177 -12.119) 12.820 12.294 ( 4.562 6.893 11.042) 13.794 12.707 ( -6.852 5.319 3.271) 9.270 13.277 ( 2.741 -3.812 -4.482) 6.491 14.208 ( 4.965 2.470 18.232) 19.057 14.788 ( 10.140 -5.551 -8.549) 14.378 15.069 ( -1.793 -0.157 -11.806) 11.942 15.287 ( -1.740 1.381 11.726) 11.935 15.650 ( -0.722 -3.005 -3.719) 4.836 15.911 ( -2.827 -1.161 1.054) 3.233 16.313 ( -0.073 7.450 2.391) 7.825 16.561 ( 5.107 8.382 -4.163) 10.661 16.750 ( 3.210 2.845 -3.319) 5.424 16.923 ( 10.687 2.879 4.366) 11.898 18.848 ( -5.287 -6.905 -7.805) 11.686 18.915 ( -4.795 -3.917 6.800) 9.197 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 1.183 8.245 4.618) 9.524 1.780 ( 1.919 -2.168 -8.175) 8.673 1.876 ( 8.051 -3.540 -15.253) 17.607 1.960 ( -0.439 -1.037 -1.341) 1.751 2.311 ( 6.709 4.901 8.826) 12.121 2.576 ( -0.073 12.577 -3.524) 13.062 2.798 ( -5.745 -4.785 4.301) 8.626 2.885 ( -3.238 -3.606 -5.554) 7.371 3.041 ( -7.937 1.903 0.738) 8.195 3.133 ( -7.025 -2.860 4.076) 8.611 3.340 ( -10.598 -0.962 -7.832) 13.213 3.725 ( -4.918 -3.715 8.140) 10.210 4.381 ( 6.064 -4.189 3.136) 8.010 4.611 ( 8.254 -1.838 -4.067) 9.383 4.776 ( 0.520 -5.656 -6.177) 8.392 5.008 ( 1.060 1.252 -5.022) 5.283 5.098 ( -9.363 -0.295 4.883) 10.564 5.135 ( 3.437 1.594 0.579) 3.832 5.275 ( 3.555 2.377 -2.796) 5.109 5.411 ( -2.865 4.062 -6.995) 8.581 6.158 ( -2.280 -0.300 2.587) 3.461 6.501 ( 1.785 -1.220 4.030) 4.573 6.848 ( 2.066 -6.142 -1.949) 6.767 7.044 ( -6.273 3.175 2.473) 7.453 7.114 ( 0.730 3.613 -2.572) 4.494 7.435 ( -6.832 -3.677 5.665) 9.607 7.759 ( 2.615 -10.092 4.193) 11.237 7.848 ( 5.736 -8.730 -6.434) 12.268 8.134 ( 7.162 3.577 1.127) 8.084 8.255 ( -4.661 -5.972 -2.208) 7.891 8.756 ( -7.411 5.635 -7.968) 12.254 8.921 ( -3.613 -1.311 0.572) 3.886 8.993 ( -11.138 3.101 -1.228) 11.626 9.369 ( 3.965 -1.795 6.442) 7.774 9.650 ( 3.896 -0.611 3.627) 5.358 9.708 ( 2.921 3.192 0.530) 4.360 10.155 ( 5.113 6.464 -3.869) 9.105 10.286 ( 5.286 1.850 2.236) 6.030 10.447 ( 0.465 4.848 -10.365) 11.452 10.585 ( -1.604 1.588 1.870) 2.931 10.947 ( 4.451 4.971 8.688) 10.954 11.178 ( -8.675 -7.310 1.752) 11.478 11.619 ( -4.349 -8.811 -1.744) 9.979 11.854 ( -1.951 -1.571 0.310) 2.524 12.073 ( 2.011 6.995 -12.089) 14.111 12.488 ( 4.155 4.205 6.808) 9.016 12.677 ( -1.974 4.664 5.754) 7.665 13.232 ( -1.674 -3.659 -4.940) 6.371 14.505 ( 8.529 1.062 10.936) 13.909 14.809 ( 1.969 -2.380 -3.297) 4.518 15.058 ( 12.205 1.181 -5.367) 13.385 15.368 ( -3.941 -1.016 11.216) 11.932 15.642 ( 0.634 0.065 1.904) 2.008 15.818 ( -8.003 3.088 -0.417) 8.588 16.283 ( -2.770 7.754 -0.823) 8.275 16.552 ( -3.993 14.163 0.719) 14.733 16.795 ( 9.997 -3.286 -8.418) 13.476 17.212 ( 14.246 -1.027 5.944) 15.470 18.609 ( -2.454 -8.831 -16.453) 18.833 18.935 ( -8.852 -4.954 11.181) 15.097 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 7.737 5.363 9.675) 13.499 1.751 ( 1.233 -2.067 -1.220) 2.699 1.870 ( 4.914 3.069 -5.049) 7.685 1.968 ( 5.044 -7.286 -6.668) 11.090 2.459 ( 1.649 6.916 -0.061) 7.110 2.603 ( 3.780 4.031 5.307) 7.662 2.741 ( -3.525 -3.803 0.203) 5.190 2.773 ( -7.179 -0.921 -0.593) 7.262 2.954 ( -3.661 4.745 1.668) 6.221 3.014 ( -11.184 -0.331 -4.663) 12.121 3.139 ( -3.289 -1.786 4.299) 5.700 3.704 ( -7.149 -5.046 5.673) 10.428 4.480 ( 4.738 -3.966 -3.761) 7.234 4.573 ( 3.144 -2.600 -13.264) 13.877 4.841 ( 6.129 -3.656 1.565) 7.306 4.930 ( -2.278 -2.283 -7.055) 7.758 5.033 ( -2.159 -2.616 -0.697) 3.463 5.133 ( -1.471 0.957 -3.377) 3.806 5.239 ( -4.207 0.046 -2.308) 4.799 5.331 ( 4.041 6.043 -7.844) 10.695 6.182 ( -0.340 -1.470 5.542) 5.743 6.565 ( 0.289 1.171 3.255) 3.471 6.864 ( 0.691 1.702 -1.853) 2.609 6.922 ( -3.027 2.417 -2.920) 4.852 7.134 ( -1.960 3.930 4.189) 6.069 7.346 ( -6.456 -8.219 -0.526) 10.465 7.802 ( 1.810 -10.411 -4.608) 11.528 7.871 ( -0.064 -14.230 2.574) 14.461 8.140 ( -2.680 -7.954 0.215) 8.397 8.331 ( 7.239 5.540 5.090) 10.440 8.590 ( -5.271 9.208 -2.953) 11.013 8.800 ( -5.353 4.474 -4.639) 8.378 8.934 ( 0.126 0.345 5.963) 5.974 9.510 ( 1.636 -1.569 7.741) 8.066 9.701 ( 1.215 -3.235 -0.354) 3.473 9.778 ( 2.834 6.581 0.498) 7.182 10.167 ( 2.534 5.324 -5.590) 8.125 10.268 ( -1.745 9.124 -10.799) 14.245 10.422 ( 6.899 -1.066 2.765) 7.509 10.693 ( 3.961 0.602 6.725) 7.828 11.065 ( -6.305 -6.011 1.972) 8.932 11.079 ( 0.208 0.759 3.782) 3.863 11.510 ( -3.497 -3.007 -3.156) 5.588 11.814 ( -4.124 -1.944 0.970) 4.661 12.024 ( 6.559 9.000 -7.460) 13.404 12.557 ( -0.749 -0.557 1.727) 1.963 12.749 ( 0.799 3.859 5.033) 6.393 13.127 ( -3.071 -2.944 -5.466) 6.926 14.625 ( 3.508 -4.782 -3.387) 6.830 14.945 ( 7.954 7.873 8.985) 14.352 15.238 ( 9.056 -0.404 2.392) 9.375 15.397 ( -5.762 -0.466 4.669) 7.430 15.652 ( -2.720 2.460 2.713) 4.562 15.740 ( -2.385 6.136 7.358) 9.873 16.247 ( -0.189 5.057 -0.369) 5.074 16.461 ( -7.487 12.912 1.060) 14.963 16.876 ( 11.910 -4.146 -9.600) 15.849 17.429 ( 4.996 -0.381 0.577) 5.043 18.459 ( 5.512 -11.648 -11.954) 17.577 18.864 ( -11.969 -5.624 6.667) 14.810 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 5.243 -2.140 -1.749) 5.926 1.801 ( -8.592 -1.420 4.070) 9.613 1.959 ( 8.575 2.966 17.952) 20.115 2.065 ( 17.276 -2.429 -9.164) 19.706 2.454 ( 2.002 3.732 -4.372) 6.087 2.614 ( -8.448 1.146 -2.158) 8.794 2.630 ( -10.333 4.459 -1.093) 11.307 2.705 ( -0.722 3.966 1.807) 4.417 2.861 ( 1.370 -0.756 1.709) 2.318 2.938 ( -0.924 1.330 2.074) 2.632 3.293 ( 8.370 -2.398 10.440) 13.594 3.620 ( -8.825 -5.476 3.277) 10.891 4.422 ( -0.737 -1.198 -13.582) 13.655 4.452 ( 1.979 -0.748 -15.270) 15.416 4.809 ( -2.643 -3.624 -5.253) 6.907 4.903 ( -3.439 -1.504 0.692) 3.816 4.980 ( 2.199 -3.387 -5.240) 6.616 5.074 ( -0.110 -0.767 -4.421) 4.489 5.169 ( -2.219 -1.149 1.829) 3.097 5.319 ( 4.196 1.729 -6.451) 7.888 6.272 ( 1.471 -2.784 8.530) 9.093 6.562 ( -3.836 2.871 1.338) 4.975 6.793 ( -0.497 3.148 -3.423) 4.677 6.940 ( 2.499 3.569 -1.653) 4.660 7.119 ( -6.013 4.138 4.673) 8.667 7.255 ( 0.758 -8.496 -5.052) 9.914 7.786 ( 1.249 -12.723 -2.349) 12.998 7.843 ( -1.946 -13.997 -1.269) 14.188 8.180 ( 0.950 -8.907 6.726) 11.202 8.436 ( 1.545 5.237 -1.436) 5.646 8.518 ( -1.887 8.022 2.456) 8.599 8.750 ( 1.679 1.228 -0.551) 2.152 9.057 ( 4.146 4.780 9.047) 11.040 9.558 ( -2.757 1.382 2.045) 3.701 9.705 ( -1.623 1.360 -0.116) 2.121 9.773 ( -0.797 4.685 -1.319) 4.932 10.141 ( 2.083 4.807 -4.021) 6.605 10.171 ( 1.233 7.359 -8.011) 10.948 10.570 ( 6.972 -4.305 3.019) 8.733 10.821 ( 0.665 2.051 6.854) 7.186 10.964 ( -2.841 -7.970 -3.524) 9.166 11.072 ( -5.022 -0.830 2.173) 5.534 11.475 ( 0.349 1.883 1.894) 2.694 11.742 ( -3.840 0.430 -1.439) 4.123 12.127 ( 10.847 7.771 -1.285) 13.405 12.482 ( -7.398 1.458 -4.646) 8.857 12.800 ( -0.204 1.146 4.790) 4.929 13.038 ( -0.631 -4.887 -4.609) 6.748 14.671 ( 5.752 -2.312 -0.353) 6.210 15.046 ( -5.949 9.984 -2.986) 11.999 15.310 ( -4.788 -0.517 8.694) 9.938 15.393 ( 2.301 -0.340 5.922) 6.362 15.746 ( 5.830 9.669 6.063) 12.815 15.810 ( -0.196 4.358 5.876) 7.318 16.269 ( 0.448 2.788 3.131) 4.216 16.363 ( -4.412 8.054 1.172) 9.258 16.973 ( 12.537 -4.641 -8.579) 15.885 17.362 ( -6.150 -0.872 -8.485) 10.515 18.536 ( 11.902 -11.720 -3.240) 17.015 18.697 ( -13.055 -5.857 1.961) 14.443 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -6.174 -3.675 1.721) 7.388 1.822 ( 2.336 -2.177 1.474) 3.517 2.129 ( -6.904 2.708 -2.957) 7.984 2.279 ( 14.196 0.421 -2.080) 14.353 2.370 ( -5.312 7.305 -4.771) 10.215 2.488 ( 3.190 -1.062 8.115) 8.784 2.607 ( 2.834 6.428 1.221) 7.130 2.749 ( 4.129 6.834 0.726) 8.017 2.922 ( 0.163 -1.516 2.060) 2.563 2.973 ( 3.566 -1.026 0.298) 3.723 3.494 ( -9.466 -5.036 1.764) 10.866 3.578 ( 10.786 -4.226 9.129) 14.749 4.217 ( -1.532 -0.040 -12.485) 12.579 4.313 ( 2.600 0.071 -16.116) 16.325 4.730 ( -8.623 -2.829 0.129) 9.076 4.773 ( -3.189 -1.125 -0.624) 3.438 5.000 ( 3.454 -4.287 0.183) 5.508 5.041 ( -1.867 -2.071 -3.235) 4.271 5.168 ( 1.289 0.248 -0.275) 1.341 5.334 ( 5.152 1.648 -5.302) 7.575 6.396 ( -0.484 -3.222 8.633) 9.227 6.510 ( -0.944 1.145 0.723) 1.651 6.796 ( 2.017 -0.135 -0.996) 2.253 6.918 ( 2.837 1.521 -6.930) 7.641 7.052 ( -7.353 1.332 3.972) 8.462 7.275 ( 5.470 -0.225 -1.722) 5.739 7.731 ( -4.737 -13.586 -0.099) 14.389 7.880 ( 7.656 -11.301 -2.876) 13.950 8.277 ( 0.481 -7.710 7.147) 10.524 8.397 ( -0.072 6.824 -4.298) 8.065 8.565 ( 0.871 1.085 4.635) 4.840 8.761 ( 0.735 -4.738 -3.407) 5.882 9.255 ( 5.967 8.161 10.208) 14.367 9.457 ( -5.648 6.108 -6.790) 10.738 9.669 ( -3.019 4.394 3.558) 6.410 9.773 ( -0.327 3.463 1.720) 3.880 10.097 ( -0.281 5.320 -6.019) 8.038 10.137 ( 2.149 5.050 -4.109) 6.856 10.671 ( -3.457 -6.511 2.132) 7.674 10.808 ( 0.571 -5.156 -0.099) 5.188 10.941 ( -3.011 -1.157 0.981) 3.371 11.056 ( 3.339 -0.322 2.288) 4.061 11.545 ( 1.323 2.357 5.912) 6.500 11.670 ( -0.593 2.469 -3.638) 4.437 12.206 ( -12.203 6.523 -4.741) 14.627 12.338 ( 8.974 6.034 -0.139) 10.815 12.860 ( 0.403 -2.936 4.747) 5.597 12.988 ( 0.722 -5.863 -4.652) 7.519 14.799 ( -4.745 4.463 0.206) 6.517 14.817 ( -0.696 2.505 -0.643) 2.679 15.320 ( -8.568 4.291 8.084) 12.537 15.484 ( 0.906 -2.290 5.315) 5.858 15.810 ( -3.215 4.532 -0.728) 5.604 15.930 ( 8.992 15.324 3.070) 18.031 16.314 ( -1.683 -1.119 6.126) 6.451 16.367 ( 2.195 4.700 1.236) 5.333 17.048 ( -3.044 -5.539 -6.899) 9.357 17.171 ( 7.621 -1.344 -9.031) 11.893 18.417 ( -18.705 -7.151 0.994) 20.050 18.784 ( 15.753 -8.878 -1.133) 18.118 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -12.995 -2.620 -0.502) 13.266 1.735 ( -10.555 6.205 -6.056) 13.660 1.909 ( -4.032 5.149 -4.030) 7.682 2.370 ( 6.743 3.707 -8.154) 11.212 2.434 ( 7.646 2.213 1.009) 8.024 2.599 ( -5.659 3.156 6.821) 9.408 2.686 ( 5.911 -1.076 1.183) 6.124 2.857 ( 8.756 3.195 -1.662) 9.468 2.938 ( 3.366 0.485 -0.235) 3.409 3.021 ( 1.716 -1.097 -0.571) 2.115 3.347 ( -6.004 -3.605 -1.939) 7.267 3.830 ( 9.280 -6.945 4.106) 12.297 4.156 ( 1.776 -0.656 -0.370) 1.929 4.225 ( 4.119 -0.581 -7.553) 8.623 4.601 ( -6.351 -1.719 4.877) 8.190 4.778 ( -2.521 -2.525 3.328) 4.879 4.970 ( -1.390 -0.138 0.935) 1.680 5.074 ( 2.581 -0.907 0.395) 2.764 5.187 ( 3.597 0.250 -2.320) 4.287 5.354 ( 4.297 3.694 -5.233) 7.713 6.399 ( -2.683 -6.029 0.991) 6.673 6.596 ( 3.438 -0.896 4.069) 5.402 6.774 ( 2.231 0.921 -4.294) 4.926 6.911 ( -2.995 -0.360 -1.550) 3.392 7.046 ( 3.638 -2.804 6.199) 7.716 7.361 ( 6.379 4.140 -1.504) 7.752 7.668 ( -2.019 -9.547 -0.242) 9.761 7.990 ( 7.650 -11.014 -0.672) 13.427 8.293 ( -5.914 -4.302 2.043) 7.593 8.379 ( 2.750 -0.602 -3.762) 4.699 8.629 ( 1.860 2.056 2.188) 3.532 8.688 ( -3.123 -7.175 -4.461) 9.007 9.268 ( -5.529 6.670 -8.668) 12.255 9.451 ( 3.942 5.795 7.981) 10.621 9.673 ( -1.985 6.269 3.601) 7.497 9.802 ( 1.296 2.371 1.947) 3.330 10.032 ( -1.257 5.645 -2.443) 6.278 10.124 ( 1.364 5.266 -3.085) 6.253 10.530 ( -7.806 -6.500 -3.356) 10.698 10.805 ( -6.806 2.194 3.236) 7.849 10.979 ( 6.793 -7.097 1.855) 9.998 11.167 ( 5.461 0.306 1.875) 5.782 11.556 ( -1.700 0.771 -2.508) 3.126 11.705 ( 2.328 1.769 3.799) 4.794 11.924 ( -11.514 12.938 -3.689) 17.708 12.506 ( 7.011 1.396 2.900) 7.715 12.894 ( -0.345 -5.572 0.431) 5.600 12.974 ( 2.259 -2.587 -1.102) 3.607 14.569 ( -11.484 1.972 -0.420) 11.659 14.972 ( 2.861 4.089 5.620) 7.516 15.201 ( -13.236 7.178 3.729) 15.512 15.533 ( 0.298 -4.708 1.377) 4.914 15.744 ( -1.084 1.611 -2.141) 2.890 16.054 ( 3.841 12.702 -1.545) 13.359 16.323 ( -2.071 -3.076 0.360) 3.725 16.444 ( 4.569 6.637 2.509) 8.439 16.855 ( -3.310 1.780 -7.422) 8.320 17.337 ( 12.775 -4.488 -1.151) 13.590 18.089 ( -22.355 -7.475 2.328) 23.686 19.030 ( 14.807 -7.609 -0.955) 16.675 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -21.717 6.345 -0.165) 22.625 1.445 ( -18.083 6.463 2.003) 19.308 1.943 ( 11.926 5.241 -10.134) 16.504 2.251 ( -8.471 4.510 -6.420) 11.546 2.388 ( -11.814 10.530 -1.385) 15.886 2.666 ( 5.285 -4.009 3.249) 7.387 2.752 ( 1.994 -1.347 -3.573) 4.308 2.940 ( 5.193 -3.258 -1.366) 6.280 3.044 ( 6.235 1.708 -1.616) 6.663 3.101 ( 10.161 1.555 3.245) 10.779 3.308 ( 3.567 -3.480 -2.344) 5.507 3.963 ( 6.590 -8.793 -2.444) 11.257 4.196 ( -0.026 -1.177 4.077) 4.243 4.287 ( 3.533 -3.565 4.953) 7.051 4.633 ( -0.310 0.273 7.797) 7.808 4.714 ( -7.056 -3.409 1.878) 8.058 5.015 ( -7.203 8.741 4.672) 12.252 5.093 ( 7.770 0.165 1.792) 7.976 5.264 ( 4.578 -1.185 -0.603) 4.767 5.381 ( 9.201 2.032 -6.381) 11.380 6.365 ( 0.154 -8.544 -3.027) 9.065 6.610 ( -2.162 -2.770 -1.434) 3.795 6.821 ( 0.054 -0.304 -1.810) 1.836 6.896 ( 8.085 3.637 3.115) 9.397 7.212 ( 5.250 -6.053 5.915) 9.960 7.441 ( 4.388 3.620 0.192) 5.692 7.665 ( 1.654 -5.784 -0.466) 6.034 8.070 ( -0.766 -10.756 -4.000) 11.501 8.184 ( -4.455 -6.762 0.967) 8.156 8.316 ( -3.571 -0.770 -6.807) 7.725 8.593 ( -2.204 -0.013 -0.398) 2.240 8.701 ( 1.941 -0.709 3.677) 4.217 9.114 ( -2.605 5.128 -5.072) 7.669 9.528 ( -1.038 0.119 2.586) 2.789 9.678 ( -1.047 5.530 0.347) 5.638 9.830 ( 1.167 -1.193 -1.988) 2.596 10.029 ( 0.620 8.336 3.302) 8.988 10.117 ( 1.379 6.125 -1.996) 6.588 10.404 ( -3.376 -2.009 -2.061) 4.436 10.727 ( -4.325 2.284 0.395) 4.907 11.094 ( 1.484 -2.808 3.057) 4.408 11.259 ( 5.217 -3.303 -0.931) 6.244 11.491 ( -1.685 -1.567 -2.894) 3.697 11.681 ( -6.637 10.496 5.706) 13.667 11.882 ( 3.967 3.844 0.499) 5.547 12.614 ( 3.054 -0.273 1.318) 3.337 12.883 ( 1.601 -3.964 -2.826) 5.124 13.019 ( 1.300 -0.458 2.594) 2.937 14.427 ( -9.715 -1.572 5.969) 11.510 14.892 ( -17.119 3.149 1.022) 17.436 15.058 ( -3.953 8.721 -2.906) 10.006 15.532 ( -1.395 -7.211 0.473) 7.360 15.762 ( 5.964 1.035 -1.204) 6.172 16.066 ( 0.777 5.359 0.056) 5.415 16.268 ( -0.494 -3.318 -5.620) 6.545 16.542 ( 2.256 6.896 2.837) 7.791 16.799 ( 5.717 10.638 -7.686) 14.315 17.430 ( -2.077 -1.261 -8.589) 8.926 17.842 ( -13.163 -9.316 16.849) 23.323 19.235 ( 12.259 -6.598 -2.809) 14.202 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -16.666 5.290 15.506) 23.370 1.230 ( -16.694 8.835 13.517) 23.226 1.944 ( -5.677 9.741 -3.718) 11.872 2.056 ( -3.760 13.907 -4.386) 15.059 2.218 ( -1.175 2.780 -4.357) 5.300 2.654 ( -0.900 -1.667 -8.719) 8.923 2.791 ( 4.107 -2.059 2.208) 5.097 3.025 ( 5.361 -2.519 -0.486) 5.944 3.137 ( 6.205 0.874 -2.018) 6.583 3.304 ( 8.037 -0.645 4.237) 9.108 3.366 ( 6.084 -3.623 -3.232) 7.784 4.014 ( 4.304 -8.736 -4.695) 10.811 4.260 ( -0.857 -1.223 7.990) 8.128 4.389 ( 2.192 -5.725 3.871) 7.250 4.628 ( -4.688 -1.648 1.274) 5.130 4.729 ( -0.109 3.199 9.570) 10.092 4.897 ( -10.372 9.576 3.771) 14.611 5.228 ( 0.286 1.366 -0.431) 1.461 5.328 ( 7.392 -0.112 3.092) 8.014 5.526 ( 14.098 -2.520 -5.998) 15.527 6.348 ( 3.235 -7.758 -4.333) 9.456 6.543 ( -3.712 -3.941 -0.678) 5.456 6.822 ( 3.936 0.290 -3.185) 5.072 7.109 ( 12.059 3.514 2.078) 12.732 7.290 ( 1.978 -5.112 -3.864) 6.706 7.517 ( -0.917 -2.236 7.098) 7.498 7.662 ( -2.402 -0.901 -4.156) 4.884 7.884 ( -6.404 -6.855 -5.292) 10.771 8.029 ( -12.316 -0.731 -5.658) 13.573 8.297 ( 3.592 -7.287 0.813) 8.165 8.614 ( 0.682 -0.968 5.979) 6.096 8.796 ( 1.542 0.187 8.971) 9.104 9.081 ( 1.159 4.828 0.752) 5.021 9.523 ( 1.502 -3.392 -2.997) 4.770 9.654 ( -0.371 2.514 -0.665) 2.627 9.785 ( -1.272 -2.478 -5.631) 6.283 10.068 ( -0.304 8.394 0.475) 8.412 10.157 ( 3.115 7.293 3.934) 8.853 10.330 ( -3.156 2.039 -4.402) 5.787 10.683 ( -0.115 2.463 -1.697) 2.993 11.067 ( -3.152 2.153 -3.677) 5.300 11.325 ( 1.525 -6.427 3.785) 7.613 11.505 ( 1.439 -4.587 6.949) 8.450 11.715 ( 2.480 10.971 4.432) 12.090 11.916 ( -0.227 -2.209 -1.700) 2.797 12.641 ( 1.338 3.114 -2.642) 4.297 12.903 ( 5.540 -2.111 -3.605) 6.938 13.053 ( -2.181 -0.114 3.775) 4.361 14.332 ( -17.987 -2.868 12.212) 21.930 14.634 ( -8.783 2.661 -0.301) 9.182 14.940 ( -1.404 3.517 -8.777) 9.559 15.523 ( -0.077 -5.859 1.247) 5.991 15.869 ( 5.505 0.002 0.392) 5.519 16.094 ( 0.785 0.653 0.994) 1.425 16.188 ( 1.890 -0.458 -9.977) 10.165 16.567 ( -1.052 2.480 0.375) 2.720 16.818 ( 6.468 14.569 -9.493) 18.553 17.128 ( -16.721 2.057 -5.971) 17.873 18.009 ( 0.856 -6.561 21.957) 22.932 19.361 ( 8.645 -5.867 -5.842) 11.970 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -17.464 2.368 18.577) 25.606 1.289 ( -6.063 7.984 26.596) 28.423 1.823 ( -8.570 18.249 9.819) 22.426 1.992 ( 5.182 12.066 -8.518) 15.652 2.273 ( 8.943 -1.943 -0.126) 9.152 2.541 ( 1.261 3.417 -10.480) 11.095 2.875 ( 2.332 -2.873 2.795) 4.637 3.090 ( 3.019 -2.481 -0.563) 3.948 3.180 ( 2.024 -0.566 -2.811) 3.510 3.397 ( 3.145 -3.906 -5.923) 7.761 3.452 ( 3.437 -1.710 5.280) 6.528 3.989 ( 0.934 -7.399 -7.296) 10.433 4.312 ( -2.576 1.267 5.151) 5.897 4.437 ( -0.417 -0.912 1.085) 1.477 4.626 ( 0.509 -2.561 5.927) 6.476 4.791 ( -7.034 7.205 5.251) 11.356 4.850 ( 0.260 3.906 10.097) 10.829 5.184 ( -2.156 -0.682 -1.666) 2.808 5.477 ( 4.923 -1.030 2.190) 5.486 5.655 ( 9.716 -4.154 -6.973) 12.661 6.374 ( 4.282 -7.188 -3.167) 8.946 6.482 ( -2.325 -4.636 -1.159) 5.314 6.864 ( 5.647 0.224 -4.017) 6.934 7.171 ( -3.333 -3.459 -11.689) 12.637 7.324 ( 10.004 1.915 -0.280) 10.189 7.459 ( -10.084 4.767 -6.301) 12.811 7.543 ( -4.022 -4.524 4.725) 7.679 7.715 ( -7.232 -0.983 -5.474) 9.123 7.948 ( 1.448 -3.297 6.435) 7.374 8.329 ( -0.211 -7.343 -0.423) 7.359 8.728 ( 2.845 -1.727 8.240) 8.887 8.951 ( 2.270 -3.235 11.187) 11.865 9.151 ( 1.696 5.592 6.475) 8.722 9.531 ( 6.047 -3.948 -6.437) 9.674 9.644 ( -1.602 -1.235 -1.464) 2.497 9.679 ( -1.909 -0.101 -6.187) 6.476 10.072 ( 1.334 8.059 0.742) 8.202 10.194 ( -4.853 3.176 -5.531) 8.014 10.250 ( 0.580 4.200 3.970) 5.808 10.668 ( 0.179 4.592 -2.517) 5.239 10.971 ( -0.529 2.796 -3.820) 4.763 11.433 ( 1.890 -6.223 9.772) 11.739 11.634 ( 1.801 -7.090 7.406) 10.409 11.818 ( -0.597 2.986 4.028) 5.050 11.830 ( 0.156 2.245 -5.429) 5.877 12.605 ( 1.167 5.615 -7.567) 9.494 12.975 ( 2.619 -1.266 0.374) 2.932 13.034 ( 0.456 1.417 -0.643) 1.621 14.100 ( -23.470 -0.051 13.339) 26.996 14.643 ( 3.664 -3.474 3.498) 6.143 14.853 ( 3.288 0.788 -7.657) 8.371 15.569 ( 3.149 -3.867 2.595) 5.622 15.902 ( -2.385 -1.223 -1.511) 3.076 16.026 ( 3.322 -4.562 -19.379) 20.184 16.154 ( -2.824 3.240 4.436) 6.176 16.521 ( -1.676 -1.368 -3.988) 4.537 16.751 ( -3.176 7.065 -3.264) 8.405 16.918 ( -2.508 15.571 -3.241) 16.101 18.287 ( 1.598 -4.451 22.566) 23.056 19.383 ( 4.429 -5.357 -9.369) 11.666 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.029 20.558 7.631) 21.929 1.698 ( 5.792 7.856 9.976) 13.956 1.958 ( 1.804 10.532 -9.597) 14.363 2.344 ( 1.050 6.216 -1.371) 6.452 2.455 ( 5.107 2.006 7.978) 9.683 2.660 ( -0.554 9.106 0.953) 9.173 2.809 ( 0.697 -5.723 0.315) 5.774 2.977 ( 1.683 -11.242 -10.293) 15.335 3.108 ( -2.857 -0.476 3.870) 4.834 3.258 ( -0.867 -3.179 -4.637) 5.688 3.473 ( 0.478 -5.582 7.370) 9.258 3.742 ( -1.742 -8.391 -4.332) 9.603 4.413 ( -4.225 6.669 3.550) 8.656 4.512 ( 5.982 4.186 -0.067) 7.302 4.685 ( 0.513 -0.054 8.815) 8.830 4.877 ( -3.993 5.329 2.853) 7.244 5.074 ( 2.075 6.860 5.606) 9.099 5.114 ( -3.071 -0.369 2.499) 3.976 5.474 ( -0.989 -1.967 -1.769) 2.824 5.547 ( 2.833 -7.730 -5.780) 10.059 6.258 ( 0.146 -5.501 0.402) 5.518 6.296 ( -1.956 -7.435 -0.883) 7.739 6.841 ( -8.007 -4.977 -6.944) 11.709 6.866 ( 6.748 -4.421 -7.461) 10.989 7.383 ( -6.764 4.928 0.294) 8.373 7.484 ( 1.361 -0.226 -0.262) 1.404 7.565 ( 3.316 3.439 -2.143) 5.236 7.598 ( 3.878 -1.585 -1.768) 4.547 7.928 ( 0.571 -7.875 6.365) 10.142 8.108 ( 0.340 -10.569 -2.264) 10.814 8.822 ( 0.553 -2.416 9.677) 9.989 9.014 ( 1.291 -3.922 10.693) 11.463 9.293 ( 0.004 1.624 -1.803) 2.427 9.365 ( 2.300 -4.781 -9.140) 10.568 9.564 ( -0.563 -0.091 0.343) 0.666 9.693 ( -0.098 0.736 -4.635) 4.694 10.228 ( -0.147 5.599 2.627) 6.187 10.258 ( -2.503 3.168 1.842) 4.437 10.323 ( 2.131 7.340 -1.658) 7.820 10.672 ( -4.147 2.154 -6.120) 7.700 11.063 ( 0.988 1.848 4.261) 4.748 11.384 ( -1.477 -6.126 -8.725) 10.763 11.492 ( 1.494 -4.111 9.624) 10.572 11.727 ( 1.816 -6.100 2.982) 7.028 12.124 ( 1.004 11.588 5.703) 12.954 12.611 ( -3.026 5.050 -10.684) 12.199 12.991 ( -4.020 4.401 4.147) 7.262 13.146 ( 7.632 0.489 -3.229) 8.302 13.975 ( -12.444 3.698 14.511) 19.471 14.573 ( 6.251 -4.897 -9.652) 12.499 14.978 ( 3.812 3.075 8.152) 9.510 15.494 ( -4.600 -8.345 0.152) 9.530 15.710 ( 2.390 -3.331 -10.922) 11.666 15.804 ( -2.007 -4.288 -5.444) 7.214 16.147 ( -3.595 -0.358 2.533) 4.412 16.412 ( 5.246 -3.555 -7.496) 9.816 16.989 ( 1.664 13.656 5.995) 15.006 17.254 ( -1.519 18.894 -6.427) 20.014 18.464 ( 0.581 -3.748 20.019) 20.375 19.144 ( -0.144 -9.212 -11.610) 14.821 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 7.207 18.768 7.147) 21.337 1.789 ( 9.630 2.965 -17.482) 20.178 1.962 ( -2.750 12.589 11.240) 17.099 2.327 ( 3.518 4.771 -7.513) 9.570 2.502 ( -9.675 2.628 -3.650) 10.669 2.639 ( -1.719 -4.339 5.406) 7.142 2.825 ( 1.954 -2.484 -1.708) 3.593 2.913 ( 0.958 -8.317 -4.752) 9.627 3.072 ( -4.962 -1.753 2.884) 6.001 3.226 ( -0.403 0.030 0.867) 0.956 3.555 ( -1.466 -5.096 7.274) 9.002 3.642 ( -3.572 -7.069 -4.564) 9.141 4.330 ( -6.371 6.914 0.427) 9.411 4.548 ( 0.087 7.285 -1.537) 7.446 4.811 ( 2.435 0.274 6.222) 6.687 4.903 ( 2.014 2.274 3.951) 4.984 5.119 ( -1.911 -0.472 3.798) 4.277 5.157 ( 2.532 5.331 3.097) 6.665 5.386 ( -5.119 -1.409 -3.792) 6.524 5.525 ( 1.498 -5.957 -3.567) 7.103 6.223 ( -3.260 -4.850 0.242) 5.849 6.308 ( 2.541 -4.908 0.496) 5.549 6.675 ( -4.067 -5.664 -2.830) 7.525 6.912 ( 5.292 -6.614 -2.789) 8.918 7.275 ( -6.733 4.648 2.341) 8.510 7.517 ( 1.195 -2.552 1.207) 3.066 7.580 ( 2.485 3.016 -3.385) 5.170 7.657 ( 4.131 -1.306 -2.472) 4.988 7.948 ( -2.079 -8.710 1.747) 9.123 8.156 ( 6.607 -7.403 -1.103) 9.984 8.929 ( -1.538 -4.503 9.903) 10.987 9.080 ( -4.894 -3.261 1.501) 6.070 9.236 ( 0.610 -0.744 -7.716) 7.775 9.301 ( 2.132 1.121 -4.194) 4.836 9.583 ( 0.262 2.067 2.051) 2.924 9.650 ( 1.089 0.578 -2.836) 3.093 10.193 ( -1.468 4.330 -0.451) 4.595 10.296 ( 3.105 3.700 2.786) 5.576 10.416 ( -1.589 4.734 1.335) 5.169 10.570 ( 3.944 2.000 0.126) 4.424 11.094 ( -4.965 -4.309 2.733) 7.120 11.262 ( -0.868 1.198 -5.527) 5.721 11.496 ( -8.191 -5.091 2.414) 9.942 11.822 ( 5.969 -5.056 -0.908) 7.875 12.255 ( 3.193 10.109 11.529) 15.662 12.454 ( -0.466 6.002 -10.587) 12.179 12.932 ( -6.819 6.019 1.735) 9.260 13.194 ( 2.144 -2.449 -2.540) 4.128 14.049 ( 0.566 5.497 15.217) 16.190 14.596 ( 10.071 -5.478 -10.112) 15.287 15.138 ( -0.179 1.075 9.678) 9.739 15.319 ( -3.166 -1.061 -9.779) 10.333 15.643 ( -2.068 -5.196 -4.425) 7.131 15.811 ( 4.488 -3.540 0.558) 5.743 16.194 ( 4.762 -3.580 4.773) 7.633 16.458 ( 10.261 -4.410 -7.677) 13.552 17.054 ( -2.889 16.818 3.687) 17.458 17.145 ( -1.930 17.891 -4.142) 18.465 18.656 ( -3.397 -5.890 17.781) 19.036 18.961 ( -4.111 -9.020 -14.085) 17.224 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 6.349 13.100 2.298) 14.738 1.751 ( 10.403 3.096 -13.580) 17.384 1.973 ( -3.498 4.698 -2.863) 6.519 2.171 ( -13.882 2.799 -6.616) 15.631 2.361 ( 2.472 7.979 -0.610) 8.375 2.660 ( -4.846 -9.054 7.606) 12.779 2.809 ( -0.195 -3.315 -3.020) 4.488 2.883 ( 0.395 1.438 -3.313) 3.633 3.040 ( -4.024 -3.905 3.415) 6.565 3.212 ( -3.497 -0.150 0.735) 3.577 3.484 ( -6.311 -5.615 -5.100) 9.868 3.615 ( -2.972 -5.623 5.524) 8.424 4.267 ( -1.200 3.144 0.728) 3.443 4.534 ( 0.781 3.381 -0.570) 3.516 4.805 ( -1.634 -1.163 -6.453) 6.757 5.041 ( 3.339 2.148 8.747) 9.606 5.100 ( -2.200 1.222 -0.899) 2.672 5.212 ( -5.581 1.085 4.481) 7.239 5.284 ( 2.430 1.320 -3.733) 4.645 5.512 ( 1.476 -1.968 -3.964) 4.666 6.170 ( -3.398 -2.591 0.311) 4.284 6.372 ( 2.757 -2.833 3.209) 5.092 6.659 ( 3.118 -6.227 0.148) 6.965 6.968 ( 2.300 -7.255 1.890) 7.842 7.223 ( -3.836 3.476 2.958) 5.962 7.520 ( -5.972 -3.360 2.585) 7.323 7.542 ( -0.083 -2.098 -3.367) 3.968 7.676 ( 1.972 -4.916 -2.860) 6.019 8.001 ( 7.271 -2.048 1.472) 7.696 8.214 ( 2.608 -5.557 -4.507) 7.615 8.945 ( -5.383 -2.583 -4.438) 7.440 8.982 ( -1.823 -2.743 2.606) 4.200 9.149 ( -2.772 2.981 -1.726) 4.422 9.315 ( 0.886 0.805 -2.386) 2.669 9.585 ( -0.165 1.035 -0.151) 1.059 9.693 ( 3.415 1.348 2.268) 4.315 10.225 ( 4.274 5.874 1.527) 7.423 10.325 ( -0.215 3.087 -4.503) 5.464 10.405 ( 4.909 4.319 3.568) 7.449 10.726 ( 3.595 -0.475 3.817) 5.265 11.000 ( -3.782 3.320 -0.387) 5.047 11.153 ( -10.326 -2.467 -0.019) 10.617 11.416 ( -2.143 -9.469 1.285) 9.793 11.854 ( 1.032 -3.758 -3.405) 5.175 12.345 ( 1.189 9.184 -7.905) 12.176 12.471 ( 5.144 9.283 9.701) 14.379 12.823 ( -7.273 4.693 0.779) 8.691 13.179 ( -0.697 -4.975 -1.569) 5.263 14.293 ( 8.542 5.379 12.457) 16.033 14.666 ( 9.507 -5.447 -7.257) 13.142 15.082 ( -2.623 1.773 -3.659) 4.838 15.339 ( 2.149 3.746 5.273) 6.816 15.589 ( -0.235 -3.420 -0.660) 3.491 15.864 ( 0.662 -2.068 0.847) 2.331 16.392 ( 10.090 -3.336 4.551) 11.560 16.566 ( 12.858 -4.192 -7.789) 15.606 16.937 ( -6.016 14.283 -4.682) 16.190 17.158 ( -0.384 16.642 5.489) 17.528 18.665 ( -7.868 -9.950 -10.515) 16.476 18.785 ( -5.994 -8.146 8.995) 13.535 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 1.256 4.218 -2.600) 5.112 1.808 ( -5.613 5.397 -4.490) 8.988 1.837 ( 10.754 2.445 -9.912) 14.828 2.000 ( -2.759 3.016 -0.639) 4.137 2.408 ( -0.367 3.707 4.759) 6.044 2.658 ( -4.319 -7.933 5.136) 10.391 2.791 ( -0.264 -0.279 1.021) 1.091 2.844 ( -1.003 6.943 -2.528) 7.456 2.988 ( -5.871 -5.222 2.842) 8.356 3.128 ( -6.308 0.653 -0.359) 6.352 3.299 ( -8.179 -2.963 -5.724) 10.413 3.609 ( -4.493 -7.026 4.343) 9.403 4.309 ( 5.123 -1.406 0.115) 5.314 4.561 ( 4.113 -2.322 -4.289) 6.380 4.694 ( -0.402 -0.961 -5.855) 5.947 5.028 ( -1.963 0.625 -5.824) 6.178 5.102 ( -7.042 0.674 4.722) 8.505 5.173 ( -0.110 0.877 1.845) 2.045 5.298 ( -0.404 0.209 -1.677) 1.737 5.469 ( 0.153 -0.153 -6.302) 6.305 6.135 ( -1.551 -1.567 1.335) 2.578 6.471 ( 4.048 -2.036 3.624) 5.802 6.742 ( 6.494 -3.484 0.318) 7.377 7.032 ( -0.063 -5.070 4.175) 6.568 7.177 ( -3.408 3.708 -1.060) 5.147 7.397 ( -9.450 -0.864 2.353) 9.777 7.537 ( -0.673 -9.272 2.014) 9.512 7.656 ( 0.157 -8.141 -3.837) 9.001 8.132 ( -2.227 -3.543 -7.441) 8.537 8.188 ( 8.977 0.106 3.594) 9.670 8.826 ( -0.713 0.890 -7.016) 7.108 8.953 ( -3.763 4.453 2.750) 6.446 9.079 ( -5.215 4.509 -3.328) 7.656 9.328 ( 3.822 -2.254 3.115) 5.421 9.598 ( 0.990 -2.329 0.892) 2.683 9.789 ( 4.717 1.957 2.573) 5.718 10.303 ( 2.960 6.321 -1.459) 7.131 10.354 ( 5.693 5.583 0.466) 7.988 10.546 ( 6.601 2.959 4.532) 8.536 10.645 ( -6.125 3.464 -8.844) 11.302 10.998 ( -8.714 -8.083 1.897) 12.036 11.042 ( 0.812 2.844 6.811) 7.425 11.414 ( -0.422 -7.643 1.513) 7.803 11.807 ( -2.282 -3.552 -1.578) 4.507 12.281 ( 2.066 11.683 -7.559) 14.068 12.608 ( 0.225 6.776 3.270) 7.527 12.751 ( -1.986 1.640 2.768) 3.782 13.139 ( -1.856 -4.747 -2.093) 5.510 14.525 ( 6.690 0.946 0.865) 6.812 14.772 ( 9.376 -0.875 4.115) 10.276 15.100 ( 3.454 2.760 4.339) 6.195 15.433 ( 4.259 7.705 3.737) 9.564 15.606 ( -0.849 -4.046 3.143) 5.193 15.870 ( 0.132 2.942 0.292) 2.959 16.512 ( -1.321 9.201 0.137) 9.296 16.664 ( 12.505 -2.929 -11.547) 17.271 16.842 ( -2.260 6.280 -0.202) 6.677 17.266 ( 5.389 8.774 7.981) 13.028 18.364 ( -7.270 -13.370 -16.827) 22.688 18.778 ( -9.687 -9.805 10.123) 17.101 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.204 0.125 -2.546) 6.708 1.756 ( 1.303 4.611 8.321) 9.602 1.916 ( 0.901 1.581 -6.455) 6.706 1.933 ( 3.400 2.637 -0.322) 4.314 2.448 ( -1.936 -3.686 4.133) 5.867 2.662 ( -0.265 -2.485 4.101) 4.802 2.753 ( -6.036 -1.734 -1.285) 6.410 2.808 ( -0.281 10.298 0.014) 10.302 2.959 ( -5.478 -4.292 5.639) 8.957 3.032 ( -3.871 2.303 -1.390) 4.713 3.132 ( -3.514 1.092 0.065) 3.680 3.564 ( -5.523 -7.701 2.244) 9.739 4.400 ( 6.504 -2.889 -3.535) 7.946 4.522 ( 4.159 -1.792 -11.377) 12.245 4.730 ( 6.369 -4.845 -0.146) 8.004 4.904 ( -2.473 -0.402 -9.565) 9.888 5.015 ( -7.439 0.359 1.120) 7.532 5.135 ( -2.263 -1.948 -4.876) 5.717 5.229 ( -6.399 -0.357 0.841) 6.463 5.386 ( -1.330 -1.873 -6.166) 6.580 6.152 ( 0.596 -1.132 2.985) 3.248 6.564 ( 3.307 -2.359 1.190) 4.233 6.893 ( 10.042 0.791 1.522) 10.188 6.982 ( -4.638 1.339 -3.832) 6.163 7.127 ( -3.073 -1.052 0.007) 3.248 7.287 ( -7.891 1.961 3.738) 8.949 7.553 ( -3.638 -11.692 5.554) 13.446 7.607 ( 0.518 -9.702 -4.618) 10.757 8.003 ( -2.681 -3.994 -4.897) 6.865 8.349 ( 5.416 -4.133 1.643) 7.008 8.749 ( -1.359 6.050 -3.882) 7.316 8.902 ( -1.849 6.048 -8.760) 10.805 9.035 ( 2.137 7.899 9.380) 12.448 9.477 ( 4.599 -1.945 7.095) 8.676 9.635 ( 1.534 -2.377 2.599) 3.841 9.891 ( 3.563 2.411 1.847) 4.682 10.271 ( -1.923 3.992 -5.643) 7.175 10.451 ( 4.095 5.267 -4.186) 7.876 10.456 ( -1.328 6.037 -5.406) 8.212 10.722 ( 6.797 2.409 6.054) 9.416 10.886 ( -7.561 -9.036 0.631) 11.799 11.085 ( -3.243 -1.535 4.032) 5.398 11.449 ( 1.939 -1.142 2.571) 3.417 11.763 ( -3.182 -2.904 1.830) 4.681 12.261 ( 4.003 11.882 -4.098) 13.191 12.584 ( -2.303 2.403 -0.677) 3.397 12.783 ( 0.933 -0.467 0.835) 1.336 13.060 ( -3.761 -3.045 -3.949) 6.247 14.583 ( 5.022 1.196 -2.208) 5.615 15.053 ( 11.284 1.853 10.447) 15.489 15.216 ( -0.807 -0.797 9.925) 9.990 15.519 ( -3.737 7.123 1.100) 8.118 15.655 ( 6.454 2.534 4.918) 8.501 15.899 ( 2.783 8.493 1.846) 9.126 16.426 ( -2.962 11.428 -3.575) 12.335 16.750 ( 6.619 1.411 -6.139) 9.137 16.770 ( -1.928 4.589 -3.680) 6.190 17.445 ( 2.902 3.286 3.947) 5.899 18.118 ( 1.679 -19.905 -13.137) 23.908 18.685 ( -12.443 -11.192 5.836) 17.724 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 5.288 -3.363 -3.273) 7.070 1.742 ( -10.846 -2.776 -0.282) 11.199 2.050 ( 11.511 5.310 15.137) 19.744 2.105 ( 12.856 4.693 -0.797) 13.709 2.428 ( -3.139 -4.572 0.930) 5.623 2.584 ( -9.014 -2.511 -2.623) 9.718 2.757 ( 2.861 2.998 4.299) 5.971 2.833 ( 1.381 6.851 2.989) 7.601 2.901 ( -4.336 5.208 -1.175) 6.878 2.944 ( -1.884 -0.418 0.641) 2.033 3.251 ( 5.697 -1.008 9.937) 11.498 3.479 ( -6.428 -7.070 0.864) 9.594 4.394 ( 1.641 -1.082 -11.151) 11.323 4.447 ( 3.363 0.546 -15.127) 15.506 4.741 ( -1.599 -2.426 -5.962) 6.632 4.854 ( 5.197 -6.093 -1.489) 8.146 4.889 ( -6.546 -0.887 -2.429) 7.039 5.018 ( -2.882 -4.984 -4.814) 7.505 5.155 ( -4.332 -0.300 1.806) 4.703 5.305 ( 0.542 -3.944 -4.887) 6.304 6.221 ( 1.653 -1.798 5.857) 6.346 6.583 ( -1.395 -2.309 -1.794) 3.240 6.866 ( -1.679 3.749 -3.323) 5.284 7.029 ( -4.085 1.447 -3.671) 5.679 7.106 ( 8.687 -0.748 2.675) 9.120 7.207 ( -6.082 3.065 2.469) 7.244 7.522 ( -4.784 -10.131 2.676) 11.519 7.595 ( 3.647 -9.670 -3.503) 10.912 7.969 ( -0.464 -8.126 3.068) 8.699 8.397 ( 2.163 -8.659 -3.824) 9.710 8.699 ( -2.049 7.681 -0.025) 7.949 8.807 ( 1.154 5.674 -6.307) 8.561 9.242 ( 6.740 10.646 10.915) 16.670 9.587 ( 0.805 1.107 4.438) 4.644 9.717 ( 1.092 0.561 6.554) 6.668 9.894 ( -3.144 4.736 -2.334) 6.145 10.202 ( 1.691 -0.198 -3.472) 3.867 10.332 ( -0.932 6.340 -8.533) 10.671 10.520 ( 4.954 0.546 -2.365) 5.517 10.744 ( -7.916 -9.460 -3.068) 12.711 10.893 ( 5.568 2.758 5.808) 8.505 11.053 ( -5.048 -0.778 3.614) 6.257 11.525 ( 2.137 2.858 4.598) 5.820 11.735 ( -2.607 -0.938 1.245) 3.037 12.324 ( 5.556 9.471 0.374) 10.987 12.539 ( -1.424 3.640 -2.540) 4.661 12.786 ( -0.084 -3.146 -0.872) 3.266 12.933 ( -4.585 -3.820 -5.321) 7.996 14.689 ( 7.621 4.308 2.890) 9.219 15.208 ( -4.722 2.152 -3.759) 6.407 15.334 ( 2.639 2.575 12.076) 12.627 15.423 ( -9.218 4.516 9.281) 13.839 15.818 ( 1.752 0.857 8.220) 8.448 16.058 ( 13.921 15.958 1.892) 21.261 16.369 ( -1.816 6.940 -1.041) 7.249 16.614 ( -5.720 13.826 -4.874) 15.736 16.840 ( 8.860 -7.601 -6.198) 13.217 17.345 ( -8.033 -0.132 -9.414) 12.376 18.199 ( 13.650 -19.636 -0.354) 23.917 18.506 ( -13.290 -12.029 1.123) 17.960 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -4.751 -3.639 -0.217) 5.989 1.783 ( 9.870 -1.931 -1.914) 10.237 2.242 ( -3.314 6.652 1.581) 7.598 2.321 ( 5.518 2.431 3.788) 7.121 2.417 ( -3.634 -1.107 -4.126) 5.608 2.446 ( 6.114 -2.270 3.986) 7.643 2.825 ( -0.450 11.203 1.892) 11.371 2.870 ( 1.448 -0.015 1.600) 2.158 2.910 ( 2.542 2.930 3.100) 4.966 2.951 ( 2.303 0.689 -0.778) 2.527 3.373 ( -7.277 -5.266 3.468) 9.629 3.483 ( 7.378 -3.883 7.616) 11.293 4.217 ( -1.624 0.213 -13.471) 13.570 4.314 ( 2.161 0.131 -15.777) 15.924 4.680 ( -7.675 -1.259 0.162) 7.780 4.750 ( -1.706 -0.324 -0.874) 1.944 4.889 ( 1.801 -6.178 0.923) 6.501 4.987 ( 2.384 -4.092 -5.770) 7.465 5.135 ( 0.633 -2.912 2.555) 3.926 5.320 ( 6.588 -3.553 -4.378) 8.671 6.319 ( -0.580 -3.365 7.668) 8.394 6.495 ( -3.250 -2.597 -3.483) 5.426 6.861 ( 0.814 5.461 -0.272) 5.528 6.924 ( -0.629 -0.524 -2.944) 3.055 7.068 ( -10.237 0.020 2.452) 10.527 7.312 ( 9.809 3.242 -0.037) 10.331 7.478 ( -2.568 -8.849 0.903) 9.258 7.656 ( 8.528 -9.232 -3.894) 13.157 8.027 ( -1.340 -11.664 8.589) 14.547 8.349 ( 0.824 -10.551 -8.281) 13.438 8.671 ( -2.288 6.967 0.877) 7.385 8.777 ( 1.327 5.174 -3.734) 6.517 9.454 ( 4.199 9.333 8.347) 13.206 9.589 ( -3.136 6.485 -2.605) 7.660 9.758 ( -2.898 3.583 5.360) 7.069 9.854 ( -0.484 3.613 2.976) 4.706 10.192 ( 0.791 1.865 -4.509) 4.943 10.241 ( 0.436 3.310 -5.556) 6.482 10.539 ( -5.522 -4.947 -2.300) 7.763 10.629 ( 5.032 -8.130 -1.661) 9.705 10.985 ( -4.773 3.325 3.220) 6.648 11.052 ( 3.779 0.449 3.753) 5.345 11.609 ( -0.390 3.483 5.958) 6.913 11.705 ( 0.128 0.969 -1.781) 2.032 12.379 ( -3.948 8.731 -0.226) 9.584 12.494 ( 3.334 7.892 -2.739) 8.995 12.777 ( -1.537 -4.505 0.522) 4.788 12.837 ( 1.124 -7.637 -3.247) 8.375 14.883 ( 7.625 5.406 6.618) 11.453 14.973 ( -11.282 9.442 -7.418) 16.476 15.408 ( -9.207 2.994 11.587) 15.100 15.457 ( -1.826 0.619 8.611) 8.824 15.890 ( -3.785 2.102 4.702) 6.391 16.270 ( 6.695 8.891 -5.276) 12.317 16.315 ( -4.152 7.039 3.254) 8.797 16.544 ( 6.411 12.299 -4.379) 14.544 16.903 ( 2.198 -7.277 0.942) 7.660 17.136 ( 2.465 -1.029 -12.443) 12.726 18.204 ( -17.019 -12.731 0.257) 21.256 18.519 ( 16.315 -15.740 0.397) 22.673 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -2.159 0.425 -1.521) 2.675 1.892 ( 2.609 6.963 -5.047) 8.987 2.052 ( -6.919 8.737 -6.906) 13.111 2.385 ( 5.678 -4.203 -1.604) 7.244 2.444 ( 1.701 2.202 -0.932) 2.934 2.583 ( 4.335 -5.441 4.460) 8.264 2.832 ( -0.995 11.638 -0.380) 11.687 2.853 ( -0.291 -1.895 -2.534) 3.177 2.998 ( 3.968 -0.577 1.234) 4.196 3.010 ( 3.831 3.442 1.867) 5.478 3.270 ( -6.619 -2.280 0.251) 7.005 3.662 ( 6.011 -7.949 2.325) 10.233 4.131 ( 0.846 -1.517 -1.284) 2.160 4.207 ( 2.216 -0.982 -8.292) 8.639 4.582 ( -3.047 0.176 3.574) 4.700 4.732 ( -2.799 -0.796 0.563) 2.964 4.970 ( 5.248 -0.227 -0.130) 5.255 5.004 ( 5.486 -4.967 2.485) 7.806 5.190 ( 2.092 -1.610 0.803) 2.759 5.386 ( 6.936 -1.254 -4.876) 8.571 6.296 ( -5.413 -3.235 -0.203) 6.309 6.492 ( 0.647 -6.637 3.585) 7.571 6.826 ( 0.027 1.762 -0.791) 1.932 6.915 ( -8.206 0.698 0.721) 8.267 7.020 ( 6.117 1.270 3.922) 7.377 7.433 ( 4.063 -0.121 -0.685) 4.122 7.476 ( 3.320 -4.845 -0.325) 5.883 7.766 ( 9.558 -9.432 -4.165) 14.059 8.079 ( -4.977 -11.550 7.262) 14.522 8.259 ( 0.503 -11.463 -8.184) 14.094 8.642 ( -2.477 5.266 1.388) 5.983 8.756 ( 0.166 4.882 -1.868) 5.230 9.398 ( -7.145 6.242 -6.860) 11.708 9.591 ( -0.413 6.224 2.638) 6.773 9.771 ( -3.034 2.293 2.644) 4.632 9.887 ( 0.787 5.385 2.423) 5.957 10.164 ( 0.611 5.485 -0.137) 5.521 10.205 ( 0.703 0.033 -3.325) 3.399 10.423 ( -3.089 -1.337 -0.914) 3.488 10.763 ( 5.763 -7.141 4.023) 10.019 10.918 ( -3.206 3.032 -0.351) 4.427 11.151 ( 3.459 -1.158 1.538) 3.959 11.589 ( -3.539 2.295 -2.022) 4.677 11.737 ( 0.945 1.009 3.361) 3.634 12.233 ( -7.487 14.809 -3.433) 16.945 12.555 ( 3.544 2.728 0.273) 4.480 12.761 ( 0.482 -6.516 0.267) 6.539 12.893 ( 4.414 -4.393 2.034) 6.551 14.691 ( -11.799 9.554 -5.243) 16.062 15.065 ( 0.103 4.846 7.359) 8.812 15.366 ( -8.955 5.966 8.709) 13.843 15.471 ( -5.815 -0.725 4.292) 7.264 15.802 ( -5.725 3.950 -1.664) 7.152 16.169 ( -3.031 -3.429 -10.143) 11.128 16.283 ( -2.984 2.160 1.412) 3.945 16.648 ( 4.551 9.076 -1.250) 10.230 16.998 ( 11.125 13.618 -2.053) 17.704 17.197 ( 10.764 -8.495 1.435) 13.787 17.878 ( -20.462 -11.548 -1.441) 23.539 18.799 ( 15.908 -13.974 0.336) 21.177 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -8.263 11.297 -2.794) 14.273 1.647 ( -13.429 12.401 -5.657) 19.134 2.081 ( 11.219 7.147 -7.121) 15.088 2.282 ( -2.428 -0.286 -13.437) 13.658 2.563 ( 3.745 -5.420 4.463) 7.957 2.638 ( -3.888 3.037 5.018) 7.037 2.772 ( -5.247 9.605 -2.760) 11.287 2.864 ( 5.391 -3.660 -0.490) 6.535 3.074 ( 4.011 0.549 1.938) 4.488 3.125 ( 6.920 0.032 1.598) 7.102 3.217 ( 2.553 -4.060 -2.804) 5.555 3.737 ( 4.518 -11.777 -2.592) 12.878 4.160 ( 0.419 -1.926 3.416) 3.943 4.206 ( 1.097 -3.460 2.515) 4.416 4.637 ( 0.693 -0.844 3.038) 3.229 4.703 ( -0.766 3.793 4.214) 5.721 5.087 ( 6.346 -1.356 0.780) 6.536 5.144 ( 3.663 1.683 6.013) 7.239 5.221 ( 2.863 -1.234 0.276) 3.130 5.425 ( 4.803 1.145 -5.152) 7.136 6.220 ( -1.999 -4.719 -1.374) 5.306 6.493 ( -4.031 -7.153 1.218) 8.301 6.814 ( -1.932 -0.192 -1.318) 2.346 6.903 ( 5.075 -2.765 5.153) 7.743 7.174 ( 6.399 2.478 2.892) 7.446 7.460 ( 0.770 -3.260 0.857) 3.457 7.560 ( 6.608 -1.845 -1.538) 7.032 7.838 ( 4.161 -10.095 -7.258) 13.111 8.014 ( -5.194 -8.335 1.327) 9.910 8.189 ( -3.586 -10.010 -1.717) 10.770 8.628 ( -3.026 4.384 3.955) 6.634 8.756 ( 0.804 3.236 1.033) 3.491 9.218 ( -4.191 5.119 -5.775) 8.782 9.544 ( -3.801 0.838 -2.844) 4.821 9.703 ( -3.605 -1.104 -2.991) 4.813 9.902 ( -1.764 3.925 -0.594) 4.344 10.208 ( 3.591 3.483 1.255) 5.157 10.223 ( 0.608 7.731 4.427) 8.929 10.421 ( 1.437 4.222 1.112) 4.597 10.772 ( -3.961 1.793 -1.797) 4.705 10.985 ( 6.747 -6.252 3.115) 9.712 11.189 ( 0.844 -3.671 -0.910) 3.875 11.484 ( -4.171 1.332 -4.282) 6.125 11.774 ( -2.125 -0.819 5.017) 5.510 12.108 ( -3.315 15.292 -2.567) 15.857 12.626 ( 4.558 0.880 1.465) 4.868 12.794 ( 2.486 -3.746 0.484) 4.522 12.989 ( 2.811 -2.274 3.203) 4.830 14.475 ( -10.767 6.676 -0.104) 12.669 14.978 ( -15.088 4.538 1.605) 15.837 15.249 ( -11.319 7.694 -2.301) 13.879 15.428 ( -4.017 -2.816 4.946) 6.966 15.754 ( 2.780 -1.757 -1.840) 3.768 16.066 ( -0.757 -3.336 -2.260) 4.100 16.252 ( -0.695 2.218 -0.688) 2.424 16.660 ( 0.344 4.761 -2.286) 5.293 17.113 ( 11.821 11.621 -15.288) 22.550 17.454 ( 3.916 7.988 4.076) 9.785 17.563 ( -12.930 -16.323 13.200) 24.655 19.033 ( 13.119 -12.365 -1.850) 18.122 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -8.184 17.997 0.880) 19.790 1.458 ( -10.441 11.947 6.820) 17.270 2.116 ( 0.754 5.526 -6.777) 8.777 2.164 ( 10.043 2.669 -14.334) 17.705 2.518 ( -14.365 15.601 11.036) 23.906 2.647 ( 1.023 2.918 -6.580) 7.270 2.727 ( 3.188 -3.691 2.707) 5.578 2.968 ( 5.073 -3.150 1.281) 6.108 3.112 ( 3.546 -3.065 -5.538) 7.255 3.243 ( 4.671 -5.608 0.820) 7.345 3.297 ( 7.274 -2.210 -0.147) 7.604 3.777 ( 3.521 -13.094 -2.318) 13.756 4.234 ( 1.772 -0.845 6.308) 6.606 4.277 ( 2.133 -4.500 5.678) 7.552 4.626 ( -0.664 1.464 -0.947) 1.866 4.813 ( 1.317 5.235 9.778) 11.169 5.075 ( -6.476 5.877 1.838) 8.936 5.252 ( -1.341 0.364 0.608) 1.517 5.317 ( 7.601 -0.570 2.867) 8.144 5.467 ( 8.211 -2.368 -4.977) 9.889 6.202 ( 1.117 -5.522 -0.751) 5.684 6.422 ( -5.112 -6.714 0.881) 8.485 6.807 ( 4.629 -1.182 -4.747) 6.735 7.071 ( 5.812 -7.150 5.192) 10.576 7.261 ( 4.722 3.244 -3.557) 6.744 7.486 ( -0.407 -1.195 3.064) 3.313 7.640 ( 3.333 -1.637 -1.896) 4.169 7.708 ( -3.662 -8.568 -8.120) 12.359 7.967 ( -8.459 -4.690 2.219) 9.923 8.120 ( 0.128 -8.768 -1.012) 8.827 8.631 ( -2.245 2.528 5.906) 6.805 8.807 ( -0.204 0.494 6.319) 6.342 9.170 ( 1.771 3.470 0.496) 3.927 9.447 ( -0.355 -3.222 -6.425) 7.197 9.628 ( -1.388 -2.151 -2.488) 3.570 9.829 ( -2.984 1.914 -3.694) 5.120 10.234 ( -0.931 7.538 0.222) 7.599 10.320 ( 2.466 7.584 4.291) 9.056 10.434 ( -2.165 7.509 -1.145) 7.898 10.713 ( 2.180 0.372 -3.175) 3.869 11.085 ( 0.455 -1.897 0.939) 2.165 11.194 ( 2.089 -6.043 0.186) 6.396 11.403 ( -1.408 -3.082 0.946) 3.518 11.778 ( -3.158 -4.740 2.562) 6.246 12.058 ( -0.875 15.097 -0.305) 15.126 12.736 ( 5.928 4.990 0.659) 7.777 12.844 ( 3.778 -2.935 -0.252) 4.791 13.044 ( -0.018 -0.936 2.433) 2.607 14.313 ( -14.666 2.305 6.441) 16.183 14.721 ( -11.419 4.756 -2.859) 12.696 15.026 ( -8.534 4.267 -5.102) 10.820 15.428 ( -1.937 -3.193 4.326) 5.715 15.803 ( 3.738 -6.129 -1.556) 7.346 16.024 ( -1.111 -4.489 -4.629) 6.543 16.261 ( 0.634 5.410 0.905) 5.522 16.614 ( -1.965 2.241 -4.787) 5.638 16.988 ( -4.666 0.372 -11.192) 12.131 17.352 ( -0.768 14.661 -2.319) 14.863 17.861 ( 6.822 -3.372 21.182) 22.507 19.181 ( 9.203 -11.041 -4.947) 15.201 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -5.679 19.491 5.422) 21.013 1.487 ( -1.788 10.421 16.893) 19.929 2.050 ( 3.701 9.020 -13.205) 16.414 2.231 ( 9.576 -1.005 -0.565) 9.646 2.414 ( -10.100 18.538 8.372) 22.711 2.638 ( 3.266 5.687 -2.834) 7.145 2.787 ( 1.227 -4.776 1.342) 5.111 3.032 ( 4.548 -4.044 -5.865) 8.452 3.099 ( 0.178 -6.040 -0.566) 6.069 3.299 ( 2.815 -5.052 -3.353) 6.685 3.388 ( 2.204 -4.605 3.566) 6.227 3.788 ( 1.182 -10.998 -3.053) 11.475 4.348 ( 4.784 2.009 3.916) 6.500 4.400 ( 1.565 -2.250 8.846) 9.261 4.620 ( 0.371 2.793 1.187) 3.058 4.929 ( -3.981 4.305 9.660) 11.300 4.987 ( -2.861 9.505 2.156) 10.158 5.178 ( -5.293 0.876 -0.470) 5.385 5.449 ( 4.669 -1.564 0.840) 4.995 5.539 ( 6.534 -6.345 -5.835) 10.816 6.230 ( 2.359 -6.105 -0.141) 6.547 6.354 ( -4.428 -6.722 0.880) 8.098 6.838 ( 7.250 -2.176 -7.990) 11.007 7.058 ( -5.389 -6.916 -7.971) 11.849 7.356 ( 8.535 1.586 0.570) 8.699 7.502 ( -1.915 0.115 1.471) 2.417 7.548 ( -3.135 1.518 -0.995) 3.623 7.658 ( -3.115 -2.706 -4.534) 6.131 7.861 ( -2.759 -4.530 3.998) 6.643 8.131 ( 0.118 -10.661 -0.429) 10.670 8.707 ( 0.969 -0.158 8.180) 8.238 8.884 ( -0.610 -3.110 9.680) 10.185 9.248 ( 2.090 3.122 5.035) 6.282 9.404 ( 4.535 -5.647 -8.506) 11.171 9.589 ( -1.161 -1.947 -1.400) 2.664 9.748 ( -1.119 1.634 -4.075) 4.531 10.210 ( -0.951 6.563 0.015) 6.632 10.321 ( -2.705 7.739 -5.577) 9.916 10.365 ( -2.483 5.702 0.904) 6.284 10.743 ( 1.473 1.870 -1.415) 2.770 11.047 ( -1.623 3.889 -1.485) 4.468 11.296 ( 5.954 -6.346 6.279) 10.730 11.446 ( 1.830 -9.116 1.218) 9.378 11.725 ( -4.462 -5.613 1.356) 7.298 12.070 ( 0.333 13.995 2.663) 14.250 12.749 ( -0.175 6.756 -7.089) 9.795 12.947 ( 4.460 -0.943 3.651) 5.840 13.065 ( 2.405 1.284 -0.053) 2.727 14.112 ( -19.824 1.985 10.758) 22.642 14.599 ( 0.511 -0.751 -4.944) 5.027 14.902 ( -1.481 3.897 -0.276) 4.178 15.467 ( 0.344 -5.617 4.665) 7.310 15.809 ( 0.501 -7.066 -4.919) 8.624 15.923 ( -1.174 -4.994 -9.309) 10.629 16.231 ( -5.043 3.938 -0.949) 6.468 16.474 ( -3.119 -2.567 -7.624) 8.629 16.906 ( 1.127 8.333 1.989) 8.641 17.323 ( 0.950 17.884 -5.131) 18.630 18.192 ( 4.212 -2.403 20.922) 21.477 19.220 ( 4.575 -9.962 -8.364) 13.789 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.793 18.714 0.801) 19.111 1.876 ( 6.806 8.567 3.616) 11.523 2.184 ( 1.606 9.214 -4.757) 10.493 2.349 ( 2.534 -2.451 5.550) 6.575 2.472 ( -1.607 -3.165 -5.226) 6.317 2.668 ( -1.299 -10.808 -8.811) 14.005 2.798 ( 1.932 0.251 -2.202) 2.941 2.834 ( -2.249 5.713 2.117) 6.494 3.083 ( -3.069 -1.787 2.014) 4.083 3.190 ( 1.685 -3.211 -2.627) 4.477 3.337 ( 1.076 -5.181 6.836) 8.645 3.555 ( -1.163 -9.141 -1.699) 9.370 4.525 ( -1.112 4.017 8.990) 9.909 4.594 ( 8.759 2.826 4.096) 10.074 4.769 ( -0.451 6.970 6.361) 9.448 4.965 ( -6.038 2.014 5.104) 8.159 5.145 ( -4.410 4.268 0.925) 6.206 5.254 ( 2.206 8.148 3.286) 9.059 5.390 ( 1.913 -6.184 -5.218) 8.314 5.439 ( -0.233 -1.306 -2.699) 3.008 6.136 ( 0.252 -6.595 -0.270) 6.606 6.145 ( -2.064 -5.756 -0.502) 6.136 6.745 ( -5.266 -3.294 -6.841) 9.241 6.779 ( 2.837 -3.821 -7.923) 9.242 7.457 ( -2.881 3.065 0.427) 4.228 7.495 ( -1.017 1.084 -0.746) 1.663 7.578 ( 5.228 0.327 0.986) 5.331 7.614 ( -1.229 0.718 -1.054) 1.771 7.760 ( 0.408 -7.361 3.835) 8.310 7.871 ( 1.861 -11.234 -1.733) 11.518 8.804 ( -0.908 1.008 9.512) 9.608 8.935 ( 0.673 -3.660 11.671) 12.250 9.286 ( 2.315 -0.572 -8.643) 8.966 9.323 ( 1.641 -0.683 -2.526) 3.089 9.562 ( 0.656 0.332 0.143) 0.749 9.662 ( 0.041 -3.134 -3.676) 4.831 10.324 ( -1.832 3.313 0.741) 3.858 10.333 ( -3.577 3.083 -0.968) 4.821 10.467 ( 1.727 6.321 -2.060) 6.869 10.669 ( -2.572 -2.374 -5.498) 6.518 11.133 ( -2.146 4.490 1.900) 5.327 11.294 ( 2.120 -2.554 -5.437) 6.370 11.414 ( 4.899 -2.362 8.275) 9.902 11.583 ( 1.080 -7.227 2.560) 7.743 12.388 ( -0.978 12.370 4.152) 13.085 12.674 ( -3.992 0.135 -5.998) 7.207 13.083 ( -1.274 3.841 3.453) 5.320 13.152 ( 2.738 -0.057 0.539) 2.791 14.109 ( -4.935 8.985 6.734) 12.265 14.478 ( 3.928 -5.273 -8.334) 10.616 15.063 ( 1.577 4.900 7.331) 8.958 15.319 ( -4.870 -7.730 4.709) 10.278 15.619 ( 1.497 -3.946 -9.267) 10.183 15.691 ( 0.795 -5.921 -7.024) 9.222 16.174 ( -4.527 2.728 -1.411) 5.470 16.332 ( 2.565 -3.994 -6.565) 8.101 17.273 ( 3.040 12.779 8.906) 15.870 17.537 ( 0.237 5.880 -1.461) 6.063 18.458 ( 0.246 4.742 10.693) 11.700 18.918 ( -0.609 -11.975 -8.911) 14.939 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 5.903 16.433 1.696) 17.543 1.916 ( 5.103 7.882 -12.809) 15.882 2.191 ( -3.501 8.349 3.609) 9.746 2.364 ( -0.642 -7.741 -2.495) 8.159 2.425 ( -1.554 -0.504 -0.002) 1.633 2.546 ( -2.992 -6.723 -6.531) 9.839 2.767 ( -3.726 1.329 -1.680) 4.297 2.841 ( -0.064 -2.879 3.435) 4.483 3.051 ( -2.185 1.365 2.791) 3.798 3.197 ( 0.513 -2.128 -1.162) 2.479 3.421 ( -0.867 -6.751 6.002) 9.075 3.482 ( -3.067 -7.610 -3.183) 8.800 4.506 ( -5.386 8.911 -0.703) 10.436 4.683 ( 0.136 3.685 -2.061) 4.224 4.884 ( 0.130 5.595 7.779) 9.583 4.954 ( -0.635 3.253 5.336) 6.282 5.113 ( -3.194 1.031 6.026) 6.897 5.283 ( -0.484 5.094 -0.887) 5.194 5.356 ( -3.321 -2.527 -4.224) 5.937 5.402 ( 2.819 -4.700 -1.163) 5.603 6.109 ( 0.010 -4.658 0.400) 4.675 6.197 ( 4.981 -5.994 0.758) 7.830 6.602 ( -4.418 -0.825 -2.136) 4.976 6.762 ( 2.328 -7.011 -2.952) 7.956 7.351 ( -6.790 2.983 0.903) 7.471 7.492 ( -1.709 0.518 0.409) 1.832 7.554 ( -4.147 -4.657 -1.635) 6.446 7.638 ( -0.067 -1.710 0.465) 1.773 7.821 ( 7.673 -2.113 0.198) 7.961 7.992 ( 10.543 -7.678 -1.011) 13.081 8.881 ( -2.603 0.313 8.228) 8.635 9.010 ( -4.382 -3.459 3.627) 6.658 9.234 ( 2.513 0.784 -6.649) 7.151 9.306 ( 3.267 -0.887 -4.890) 5.947 9.600 ( 1.939 0.170 1.376) 2.384 9.641 ( 2.356 -1.232 -2.836) 3.888 10.276 ( -1.737 3.357 1.293) 3.995 10.342 ( 0.263 0.740 2.256) 2.389 10.507 ( 0.956 3.550 -0.100) 3.678 10.593 ( 2.437 0.006 -1.554) 2.890 11.070 ( -6.325 2.285 1.005) 6.800 11.287 ( 1.802 -2.302 -2.606) 3.916 11.412 ( -7.759 0.964 -0.798) 7.859 11.692 ( 6.301 -7.149 0.045) 9.529 12.473 ( 2.790 9.274 8.340) 12.781 12.574 ( 0.118 4.297 -4.821) 6.460 13.035 ( -6.890 3.698 0.743) 7.854 13.148 ( -3.757 -2.001 0.818) 4.334 14.204 ( 6.089 8.656 6.788) 12.573 14.496 ( 8.928 -4.553 -8.054) 12.857 15.168 ( -1.272 2.098 5.503) 6.025 15.302 ( 1.278 -1.134 2.207) 2.791 15.536 ( 0.329 -3.526 -5.764) 6.765 15.706 ( 7.411 -6.734 -3.548) 10.623 16.152 ( 0.979 0.773 2.963) 3.215 16.345 ( 6.418 -5.991 -4.653) 9.936 17.388 ( -0.649 13.579 5.849) 14.799 17.477 ( -1.498 11.792 -5.338) 13.030 18.549 ( -5.018 -3.097 12.024) 13.392 18.753 ( -5.831 -10.095 -10.424) 15.639 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -0.299 8.044 -8.542) 11.737 1.900 ( 5.557 7.746 -5.990) 11.259 2.110 ( -2.805 6.736 -2.684) 7.775 2.201 ( -11.389 -1.638 -5.919) 12.939 2.449 ( 1.289 -0.077 2.325) 2.660 2.476 ( -4.565 -5.835 3.541) 8.212 2.716 ( 0.357 -0.565 0.623) 0.913 2.868 ( -2.674 -5.634 3.730) 7.267 3.054 ( -0.952 4.952 0.964) 5.134 3.171 ( -1.891 -2.715 -1.330) 3.566 3.355 ( -4.590 -5.736 -4.051) 8.389 3.470 ( -2.508 -7.697 3.522) 8.828 4.398 ( -3.745 8.454 -2.821) 9.667 4.613 ( -2.705 2.004 -4.286) 5.450 4.842 ( -2.759 5.902 -4.160) 7.730 5.071 ( 0.580 0.452 7.030) 7.068 5.131 ( -3.268 2.362 4.567) 6.092 5.219 ( -4.918 -0.414 -2.723) 5.637 5.297 ( 0.328 -0.871 0.064) 0.933 5.426 ( 0.535 -6.799 -1.331) 6.949 6.127 ( 0.535 -0.293 0.102) 0.618 6.296 ( 4.849 -4.951 1.412) 7.072 6.589 ( 2.690 0.073 2.854) 3.922 6.798 ( 2.082 -8.033 3.698) 9.085 7.282 ( -3.804 2.171 2.086) 4.851 7.435 ( -6.161 -3.250 1.102) 7.052 7.473 ( -1.353 -2.925 -3.433) 4.709 7.608 ( -2.632 -3.120 -0.993) 4.201 7.999 ( 11.102 1.339 1.210) 11.248 8.112 ( 6.435 -3.990 -4.414) 8.764 8.904 ( -3.822 -0.699 1.904) 4.327 8.940 ( 0.595 -1.479 -0.218) 1.609 9.204 ( 0.127 2.180 -3.013) 3.721 9.304 ( 0.654 -1.940 -4.050) 4.538 9.611 ( 0.835 1.673 -2.844) 3.403 9.691 ( 3.741 -1.329 1.190) 4.145 10.321 ( 2.537 3.124 4.919) 6.355 10.376 ( 1.927 1.524 1.812) 3.053 10.521 ( 3.276 5.427 0.001) 6.339 10.673 ( 1.333 -3.062 3.043) 4.518 10.989 ( -4.269 -0.203 1.109) 4.415 11.170 ( -10.744 -5.106 -3.836) 12.498 11.340 ( 1.930 7.078 -1.106) 7.419 11.732 ( 1.297 -7.651 -3.203) 8.395 12.543 ( 1.411 8.574 -3.060) 9.213 12.648 ( 4.551 6.070 7.957) 10.994 12.893 ( -9.036 2.751 -1.407) 9.549 13.080 ( -4.549 -4.483 0.933) 6.455 14.414 ( 9.966 5.445 4.452) 12.198 14.574 ( 9.528 -3.373 -5.067) 11.306 15.157 ( -2.476 5.433 3.308) 6.826 15.420 ( 4.896 0.002 4.967) 6.974 15.517 ( 2.847 0.760 -1.464) 3.290 15.819 ( 9.664 -3.695 -2.919) 10.750 16.279 ( 8.317 -4.098 5.391) 10.725 16.433 ( 8.619 -7.466 -1.857) 11.553 17.284 ( -5.752 16.233 -9.482) 19.660 17.474 ( -1.029 11.140 3.859) 11.834 18.467 ( -11.274 -7.420 -8.901) 16.167 18.591 ( -8.329 -9.638 8.734) 15.445 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 1.253 6.706 -4.436) 8.137 1.853 ( -0.872 2.093 -5.612) 6.052 1.983 ( -5.130 3.823 -3.616) 7.349 2.073 ( -4.040 2.841 -0.252) 4.946 2.433 ( -5.437 -1.259 3.291) 6.479 2.516 ( 2.604 -2.881 5.449) 6.691 2.767 ( -0.718 -1.113 3.184) 3.448 2.828 ( -4.133 -6.188 2.585) 7.878 3.036 ( -1.843 6.758 -0.068) 7.005 3.111 ( -2.924 -1.530 -1.537) 3.640 3.231 ( -4.491 -2.648 -3.713) 6.401 3.444 ( -3.329 -8.406 1.229) 9.124 4.348 ( 1.810 4.758 -2.809) 5.814 4.526 ( 0.114 -1.538 -6.672) 6.848 4.763 ( -0.863 7.520 -3.869) 8.501 5.037 ( -4.055 0.137 -3.434) 5.315 5.114 ( -5.600 -0.321 0.994) 5.697 5.155 ( -0.703 -1.170 -0.635) 1.505 5.279 ( -4.784 -2.786 1.833) 5.832 5.376 ( -3.406 -7.884 -3.237) 9.178 6.130 ( 0.281 1.969 0.449) 2.039 6.380 ( 4.233 -6.679 0.068) 7.907 6.724 ( 7.564 1.866 4.493) 8.993 6.911 ( 3.336 -5.705 6.501) 9.271 7.246 ( -3.601 2.436 1.168) 4.501 7.348 ( -5.807 -2.085 1.741) 6.410 7.416 ( -0.940 -2.777 -3.251) 4.378 7.540 ( -3.308 -3.487 -1.678) 5.091 8.092 ( 0.394 -0.221 -7.774) 7.787 8.163 ( 6.869 -2.266 -0.570) 7.256 8.875 ( 2.489 4.203 -1.796) 5.204 9.026 ( 3.990 1.298 2.897) 5.099 9.159 ( -2.015 2.727 -4.113) 5.330 9.264 ( 1.536 -3.516 0.921) 3.946 9.593 ( 0.219 2.181 -0.586) 2.269 9.771 ( 4.138 -3.295 1.351) 5.459 10.407 ( 0.278 3.727 3.621) 5.204 10.479 ( 5.077 4.038 3.406) 7.327 10.595 ( 3.580 2.316 1.505) 4.522 10.645 ( -3.200 -2.602 -2.958) 5.075 10.908 ( -5.429 -0.178 -2.811) 6.116 11.031 ( -2.906 -3.740 1.623) 5.007 11.387 ( 2.604 4.907 2.843) 6.240 11.700 ( -0.986 -6.555 -1.365) 6.768 12.512 ( -0.541 9.324 -3.536) 9.986 12.730 ( -7.229 -0.251 -2.249) 7.575 12.770 ( 1.653 5.234 3.164) 6.335 13.036 ( -2.069 -5.223 0.352) 5.629 14.568 ( 7.029 3.527 -1.488) 8.004 14.746 ( 11.500 -2.410 5.178) 12.840 15.187 ( -2.433 5.523 8.016) 10.034 15.478 ( -3.079 -7.106 4.264) 8.840 15.673 ( 15.345 13.504 0.790) 20.456 15.946 ( 9.804 3.337 -3.127) 10.818 16.481 ( 9.153 -5.742 1.248) 10.877 16.596 ( 9.847 -8.059 3.081) 13.092 17.058 ( -6.264 15.425 -11.334) 20.140 17.490 ( -0.659 6.320 2.254) 6.742 18.128 ( -14.519 -5.259 -11.763) 19.412 18.531 ( -11.506 -13.344 8.527) 19.575 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.475 3.871 -4.792) 6.178 1.862 ( 4.173 3.543 7.594) 9.361 1.923 ( -10.133 -0.390 0.069) 10.141 2.010 ( 8.073 2.306 0.197) 8.398 2.374 ( -4.716 -1.262 1.663) 5.157 2.643 ( 2.642 -4.353 3.850) 6.384 2.668 ( -6.998 -1.149 1.381) 7.225 2.869 ( -2.970 -4.472 7.146) 8.938 2.990 ( -0.874 6.810 -1.140) 6.960 3.061 ( -2.468 1.155 -0.563) 2.782 3.167 ( 0.054 2.032 1.416) 2.477 3.400 ( -2.818 -7.662 -0.009) 8.164 4.380 ( 5.942 1.099 -4.403) 7.477 4.480 ( 4.848 -2.423 -8.417) 10.011 4.725 ( 1.283 4.811 -4.184) 6.504 4.909 ( -3.996 0.793 -6.793) 7.921 5.025 ( -6.520 -0.720 0.308) 6.567 5.060 ( -5.279 -2.414 -6.655) 8.831 5.200 ( -6.455 -3.626 1.630) 7.581 5.257 ( -5.386 -9.050 -3.592) 11.127 6.157 ( 1.332 2.378 1.970) 3.363 6.440 ( 3.324 -8.498 -0.782) 9.158 6.902 ( 6.714 1.468 3.527) 7.725 6.998 ( 2.511 -0.241 -0.410) 2.556 7.188 ( -4.549 3.907 1.857) 6.278 7.287 ( -4.958 -1.088 2.554) 5.682 7.376 ( -1.743 -4.652 0.429) 4.986 7.480 ( -1.333 -3.080 -1.576) 3.708 7.984 ( -1.302 1.927 -8.405) 8.721 8.211 ( 2.554 -7.496 -3.762) 8.767 8.876 ( 0.358 6.077 -3.704) 7.126 9.005 ( -0.857 2.467 -9.730) 10.074 9.210 ( 6.707 7.808 10.133) 14.444 9.418 ( 6.734 -3.414 8.737) 11.547 9.623 ( 1.490 1.670 3.828) 4.435 9.857 ( 3.834 -5.152 1.899) 6.697 10.344 ( -6.913 3.098 -4.228) 8.675 10.507 ( -4.270 -2.501 -4.931) 6.986 10.569 ( 4.095 5.589 -2.322) 7.307 10.699 ( -0.040 -3.006 1.661) 3.435 10.844 ( 1.699 4.398 1.468) 4.938 11.024 ( -1.564 -3.759 2.611) 4.837 11.484 ( 3.081 3.979 5.273) 7.290 11.689 ( -1.288 -4.201 2.829) 5.226 12.468 ( -0.423 7.043 -1.746) 7.268 12.617 ( -3.262 -0.452 -1.391) 3.575 12.784 ( -0.087 2.494 -2.593) 3.599 12.990 ( -2.912 -4.013 -2.383) 5.501 14.678 ( 6.935 7.425 1.874) 10.331 15.018 ( 10.282 -5.005 9.087) 14.606 15.240 ( -3.369 3.043 10.356) 11.307 15.459 ( -4.857 -6.492 4.816) 9.430 15.945 ( 10.462 16.973 0.984) 19.963 16.088 ( 15.200 9.144 -3.194) 18.024 16.606 ( 4.961 -4.569 1.134) 6.839 16.681 ( -0.418 7.278 -7.739) 10.632 16.909 ( 0.711 3.718 -4.030) 5.529 17.550 ( 6.650 -7.498 2.295) 10.281 17.743 ( -15.753 -0.662 -11.312) 19.405 18.400 ( -13.450 -15.622 4.884) 21.185 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 2.636 -0.748 -3.968) 4.822 1.699 ( -9.885 -1.759 -2.495) 10.345 2.133 ( 7.335 1.951 11.241) 13.564 2.221 ( 12.536 3.675 5.003) 13.989 2.327 ( -3.528 -1.800 2.137) 4.501 2.532 ( -5.073 -2.430 -0.853) 5.689 2.763 ( 2.371 -1.067 4.732) 5.399 2.859 ( -3.655 -3.106 3.632) 6.017 2.999 ( 1.107 4.884 -0.781) 5.068 3.036 ( -0.214 5.570 1.356) 5.736 3.257 ( 1.780 1.062 9.286) 9.515 3.353 ( -2.423 -4.522 0.853) 5.201 4.390 ( 3.540 0.777 -10.356) 10.971 4.463 ( 5.862 -0.117 -15.183) 16.275 4.680 ( 0.567 -2.117 -4.521) 5.024 4.811 ( -0.550 3.159 -2.219) 3.899 4.877 ( -6.352 -7.617 -5.955) 11.569 4.901 ( -6.050 2.297 -2.269) 6.857 5.117 ( -5.015 -4.300 0.344) 6.615 5.158 ( -0.918 -9.050 -2.442) 9.418 6.214 ( 1.275 1.719 4.191) 4.705 6.461 ( 0.714 -7.897 -1.892) 8.152 6.953 ( 1.379 4.104 -3.302) 5.445 7.003 ( -3.747 -0.228 0.794) 3.837 7.176 ( -5.677 0.674 4.960) 7.568 7.251 ( 3.482 2.251 0.254) 4.154 7.368 ( -1.874 -4.445 2.735) 5.546 7.466 ( 1.835 -2.711 -1.731) 3.703 7.891 ( 0.048 0.902 -5.428) 5.502 8.180 ( 1.457 -10.422 -7.113) 12.702 8.835 ( -1.129 5.218 -1.674) 5.595 8.909 ( 0.447 2.829 -6.191) 6.821 9.460 ( 7.661 9.415 9.777) 15.587 9.602 ( 3.441 0.423 8.313) 9.007 9.734 ( 2.804 1.155 8.443) 8.971 9.921 ( 0.176 -2.985 1.523) 3.356 10.179 ( -3.260 0.244 -5.964) 6.801 10.359 ( -4.519 -4.532 -7.777) 10.072 10.566 ( 1.209 2.884 -5.369) 6.213 10.625 ( -4.925 -0.712 -3.352) 6.000 10.962 ( 5.023 3.197 4.674) 7.570 11.039 ( -1.512 -0.767 4.135) 4.469 11.594 ( 2.454 3.579 5.752) 7.206 11.710 ( -1.283 -1.538 3.815) 4.308 12.470 ( 1.288 4.126 0.806) 4.396 12.604 ( 1.975 -0.245 0.942) 2.202 12.722 ( -1.285 0.943 -5.958) 6.167 12.879 ( -5.281 -2.270 -4.942) 7.580 14.841 ( 7.190 9.421 5.797) 13.193 15.183 ( -1.384 -3.556 3.745) 5.347 15.354 ( 0.144 0.510 13.055) 13.065 15.466 ( -2.189 -2.974 9.721) 10.398 15.957 ( -4.332 12.895 -1.477) 13.683 16.360 ( 16.118 7.391 -7.230) 19.149 16.555 ( -1.259 10.796 -4.561) 11.787 16.688 ( 2.719 -3.022 2.384) 4.713 16.854 ( -0.436 7.109 -6.421) 9.590 17.384 ( -10.059 1.357 -12.218) 15.884 17.777 ( 13.271 -15.540 6.066) 21.317 18.205 ( -13.450 -16.185 0.586) 21.052 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.419 1.001 -1.795) 2.098 1.728 ( 12.747 -3.527 -3.072) 13.578 2.274 ( -2.748 -3.227 3.787) 5.684 2.311 ( 2.658 -4.130 4.375) 6.577 2.439 ( -0.305 6.102 1.489) 6.288 2.494 ( 3.990 4.854 -0.227) 6.288 2.825 ( -0.752 -2.449 1.492) 2.964 2.862 ( 2.281 -3.594 1.757) 4.605 3.016 ( 0.247 2.448 0.170) 2.466 3.035 ( -0.001 4.633 -0.806) 4.702 3.329 ( -3.749 2.000 8.701) 9.683 3.437 ( 2.984 -0.830 8.644) 9.182 4.239 ( -1.102 2.057 -16.049) 16.218 4.318 ( 1.478 0.012 -16.964) 17.028 4.670 ( -7.656 -1.341 -2.336) 8.116 4.737 ( 6.195 -4.651 2.346) 8.094 4.812 ( -2.108 3.453 -1.514) 4.320 4.874 ( 6.072 -3.100 -2.963) 7.434 5.062 ( -1.467 -4.603 1.405) 5.031 5.183 ( 5.907 -9.052 -1.769) 10.952 6.282 ( -0.373 0.280 5.410) 5.430 6.420 ( -1.784 -4.243 -3.272) 5.647 6.906 ( -5.866 -0.080 0.693) 5.907 6.954 ( -0.459 1.055 -1.382) 1.798 7.093 ( -7.268 4.076 5.178) 9.811 7.340 ( -0.052 -4.012 2.375) 4.663 7.400 ( 6.758 2.498 -1.400) 7.340 7.509 ( 5.934 -4.551 -1.558) 7.639 7.865 ( 0.220 -2.741 -0.025) 2.749 8.107 ( 1.315 -10.979 -9.553) 14.612 8.801 ( -1.972 4.930 -0.198) 5.313 8.865 ( -0.066 2.386 -3.034) 3.861 9.623 ( 0.065 6.659 5.620) 8.714 9.716 ( 0.728 4.508 2.230) 5.082 9.824 ( -3.893 3.190 5.491) 7.449 9.910 ( -0.375 1.677 4.979) 5.267 10.152 ( 3.188 -4.306 -2.586) 5.949 10.211 ( -1.848 -5.573 -6.960) 9.106 10.504 ( -3.091 1.129 -3.198) 4.589 10.542 ( 2.550 -0.800 -2.754) 3.838 11.048 ( -2.293 2.420 2.278) 4.038 11.077 ( 3.390 1.347 2.817) 4.609 11.679 ( -0.772 2.902 5.074) 5.896 11.721 ( -0.253 0.577 1.185) 1.342 12.522 ( 2.232 3.863 2.142) 4.949 12.624 ( -1.246 1.895 -5.999) 6.413 12.686 ( 3.326 -2.307 2.556) 4.787 12.726 ( -4.575 -1.434 -4.559) 6.616 15.018 ( 3.736 6.599 6.375) 9.907 15.132 ( -2.964 3.925 -2.638) 5.581 15.431 ( -9.567 2.108 14.071) 17.146 15.546 ( -3.765 4.205 7.740) 9.579 15.905 ( -2.228 2.005 5.049) 5.871 16.276 ( -4.717 -4.629 -14.888) 16.289 16.508 ( -7.293 5.581 -0.479) 9.196 16.719 ( 2.500 -2.625 -1.812) 4.053 16.933 ( 9.534 15.615 2.728) 18.498 17.191 ( 6.023 6.982 -12.693) 15.688 17.911 ( -12.435 -13.516 1.219) 18.407 18.149 ( 15.062 -18.565 1.888) 23.981 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 7.704 6.362 -2.282) 10.249 1.955 ( 16.968 -2.227 -3.135) 17.399 2.261 ( -5.711 6.133 -5.627) 10.094 2.293 ( -3.011 1.799 -1.221) 3.714 2.441 ( 5.370 -7.008 4.375) 9.853 2.495 ( -2.982 1.268 -5.473) 6.360 2.820 ( 0.269 -0.698 -0.223) 0.780 2.941 ( 3.858 -3.296 1.478) 5.285 2.987 ( 0.265 1.307 -0.544) 1.440 3.063 ( -0.378 0.872 2.291) 2.481 3.317 ( -7.183 6.353 3.731) 10.289 3.530 ( 0.363 -4.440 1.218) 4.618 4.110 ( -0.004 0.017 -3.852) 3.852 4.183 ( 1.354 -1.570 -9.478) 9.702 4.599 ( 0.340 1.810 1.120) 2.155 4.793 ( 0.920 6.676 0.142) 6.740 4.872 ( 6.004 -7.575 1.922) 9.855 4.971 ( 8.455 1.459 0.720) 8.610 5.109 ( 3.638 -5.470 2.166) 6.917 5.285 ( 8.113 -8.248 -1.856) 11.718 6.272 ( -4.702 0.804 -0.662) 4.816 6.377 ( -1.244 -4.051 1.210) 4.407 6.834 ( -3.795 -0.229 2.020) 4.305 6.885 ( -7.745 -2.675 3.068) 8.749 7.129 ( 3.993 7.384 3.721) 9.182 7.352 ( 0.054 -2.797 1.651) 3.249 7.490 ( 5.502 0.938 -1.553) 5.794 7.610 ( 8.673 -5.371 -3.745) 10.867 7.882 ( -1.758 -6.037 4.227) 7.577 8.018 ( 0.851 -10.186 -8.728) 13.441 8.760 ( -3.224 4.886 0.911) 5.924 8.829 ( -1.486 1.824 -1.035) 2.571 9.536 ( -8.135 6.741 -4.790) 11.600 9.689 ( -4.259 2.513 -1.430) 5.148 9.795 ( -5.742 0.857 1.824) 6.085 9.946 ( -2.625 -1.905 1.226) 3.468 10.154 ( 4.510 -0.518 -0.543) 4.572 10.230 ( 4.604 0.330 2.047) 5.050 10.473 ( 1.206 3.810 0.816) 4.079 10.626 ( 6.107 -4.945 3.148) 8.465 11.007 ( -3.021 4.407 -1.737) 5.618 11.129 ( 1.176 -1.176 -0.513) 1.741 11.649 ( -4.004 3.273 -1.239) 5.318 11.744 ( -0.918 -0.432 2.205) 2.427 12.489 ( -4.093 7.650 -3.486) 9.350 12.598 ( -1.558 0.854 -1.374) 2.246 12.649 ( 4.609 -2.032 1.467) 5.246 12.816 ( 4.846 -2.996 3.994) 6.958 14.936 ( -8.315 12.268 -6.350) 16.123 15.166 ( -1.001 3.845 3.682) 5.416 15.372 ( -10.735 -1.450 11.464) 15.772 15.522 ( -10.392 1.050 3.858) 11.135 15.894 ( -6.715 4.074 1.621) 8.020 16.045 ( -3.956 -5.669 -6.283) 9.342 16.382 ( -5.260 7.029 0.348) 8.786 16.762 ( 2.506 -0.396 -0.427) 2.573 17.030 ( 4.083 -3.225 0.664) 5.245 17.284 ( 10.498 4.535 -9.437) 14.826 17.721 ( -5.149 3.533 0.684) 6.282 18.454 ( 16.864 -18.442 1.860) 25.060 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 5.166 13.587 -3.039) 14.850 1.930 ( -11.052 13.148 -11.610) 20.732 2.188 ( 10.193 -0.916 -5.727) 11.728 2.261 ( 0.582 0.509 -12.664) 12.688 2.437 ( 4.187 -5.219 4.532) 8.081 2.588 ( 4.010 -5.112 5.273) 8.368 2.826 ( 2.328 1.270 -2.028) 3.339 2.974 ( -2.625 4.617 -0.590) 5.344 3.040 ( 3.441 -6.238 0.719) 7.161 3.077 ( 0.088 -0.167 6.023) 6.026 3.224 ( -2.372 4.148 -3.537) 5.945 3.503 ( 0.423 -9.626 -4.271) 10.540 4.120 ( -0.100 -1.341 4.738) 4.925 4.154 ( 0.374 -1.885 1.410) 2.384 4.658 ( 3.367 4.164 0.991) 5.446 4.851 ( 3.260 9.472 3.743) 10.694 4.996 ( 6.444 -7.152 1.833) 9.800 5.141 ( 9.351 0.514 1.094) 9.429 5.195 ( 2.859 -2.960 3.345) 5.303 5.384 ( 6.018 -5.563 -2.125) 8.467 6.181 ( -3.705 1.019 -1.338) 4.069 6.350 ( -3.968 -5.963 0.962) 7.227 6.813 ( -3.450 0.041 1.506) 3.765 6.848 ( 0.353 -1.982 5.199) 5.575 7.244 ( 5.274 3.602 1.426) 6.544 7.392 ( 1.550 -1.898 2.941) 3.827 7.546 ( 4.351 -0.240 -2.937) 5.255 7.669 ( 5.156 -5.948 -8.410) 11.519 7.868 ( -2.934 -4.860 1.835) 5.966 7.974 ( -1.529 -9.312 1.399) 9.540 8.727 ( -4.093 4.298 3.874) 7.088 8.803 ( -1.939 1.018 1.940) 2.926 9.341 ( -6.366 6.462 -6.116) 10.941 9.543 ( -6.600 -1.410 -6.188) 9.157 9.698 ( -4.392 0.994 -2.545) 5.172 9.876 ( -3.849 -5.399 -2.164) 6.975 10.292 ( 6.894 4.595 4.792) 9.570 10.349 ( 3.154 3.391 6.007) 7.585 10.534 ( 3.310 5.503 1.972) 6.718 10.748 ( 2.464 -4.528 1.310) 5.319 10.934 ( 0.398 2.414 -3.557) 4.317 11.106 ( -1.015 -4.101 -2.999) 5.181 11.543 ( -5.256 3.986 -3.479) 7.458 11.724 ( -3.507 -3.410 0.888) 4.971 12.401 ( -2.952 11.070 -0.559) 11.470 12.616 ( 3.504 -2.065 2.007) 4.535 12.762 ( 5.615 1.251 2.051) 6.107 12.929 ( 3.355 -3.498 3.707) 6.102 14.697 ( -11.408 13.464 -5.913) 18.611 15.061 ( -12.613 2.444 -1.671) 12.956 15.295 ( -14.284 -2.214 0.804) 14.477 15.379 ( -6.023 -4.802 8.987) 11.836 15.762 ( -4.458 4.667 -4.315) 7.764 15.991 ( -2.306 -3.735 -0.338) 4.402 16.368 ( -0.028 9.222 3.920) 10.021 16.752 ( -0.332 2.874 -4.193) 5.094 17.137 ( 2.983 -4.567 -14.776) 15.751 17.185 ( -4.066 -16.881 11.766) 20.975 17.846 ( 12.667 23.052 2.866) 26.458 18.721 ( 14.225 -17.120 -0.593) 22.266 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -3.591 16.922 -6.553) 18.499 1.715 ( -3.192 13.638 -0.225) 14.008 2.103 ( 1.000 -2.497 -4.900) 5.590 2.306 ( 8.385 4.254 -9.897) 13.651 2.574 ( 3.956 -3.707 4.084) 6.788 2.665 ( 3.086 -0.741 -2.374) 3.964 2.827 ( -1.584 2.378 0.415) 2.888 2.951 ( 0.948 5.198 3.497) 6.336 3.014 ( -3.334 -4.666 -4.908) 7.548 3.151 ( 3.625 -1.649 -0.950) 4.094 3.239 ( 5.483 -3.273 -1.082) 6.476 3.490 ( 1.583 -13.572 0.116) 13.665 4.213 ( 1.327 -1.489 9.328) 9.539 4.224 ( 2.767 -0.563 6.956) 7.508 4.708 ( 2.264 6.861 -0.173) 7.227 4.953 ( 1.110 6.713 6.302) 9.274 5.098 ( 3.433 -2.895 0.987) 4.598 5.237 ( 2.058 -1.131 0.572) 2.417 5.312 ( 5.800 -0.019 2.089) 6.165 5.428 ( 2.857 -2.505 -2.511) 4.555 6.133 ( -1.212 -0.661 -0.032) 1.381 6.284 ( -4.715 -6.072 0.862) 7.736 6.799 ( 2.502 0.772 -3.306) 4.218 6.934 ( 2.282 -5.386 3.142) 6.640 7.323 ( 4.365 2.536 -0.768) 5.106 7.452 ( 1.989 -2.422 1.162) 3.342 7.564 ( 2.597 -2.939 -6.187) 7.326 7.600 ( 0.504 -3.240 -4.706) 5.735 7.869 ( -4.626 -3.642 5.723) 8.211 7.950 ( -3.484 -6.905 1.771) 7.934 8.700 ( -4.847 3.529 5.147) 7.902 8.805 ( -3.830 -0.857 6.029) 7.194 9.242 ( 0.915 3.822 -2.342) 4.575 9.390 ( -1.726 -2.499 -6.848) 7.492 9.614 ( -2.043 0.976 -2.515) 3.384 9.788 ( -2.924 -5.027 -3.221) 6.647 10.398 ( -0.565 7.299 2.255) 7.660 10.457 ( 2.252 4.990 4.220) 6.912 10.587 ( -1.599 5.882 -0.890) 6.160 10.708 ( 2.219 -0.776 -4.897) 5.432 10.999 ( 5.868 -4.082 1.457) 7.295 11.070 ( 1.136 -5.665 -0.710) 5.821 11.418 ( -4.988 3.775 -2.625) 6.784 11.659 ( -4.624 -6.107 0.058) 7.660 12.377 ( -1.544 13.890 2.160) 14.142 12.739 ( 5.802 -4.212 3.840) 8.134 12.866 ( 5.190 4.012 0.489) 6.578 13.008 ( 2.310 -2.452 2.597) 4.254 14.444 ( -14.132 9.597 -1.265) 17.129 14.782 ( -11.507 -0.566 -7.782) 13.903 15.109 ( -11.786 4.024 3.985) 13.076 15.362 ( -6.929 -4.529 7.542) 11.198 15.694 ( 1.812 -1.321 -4.963) 5.446 15.915 ( -2.834 -6.156 -4.991) 8.417 16.396 ( -1.693 7.076 0.389) 7.286 16.636 ( -6.756 -1.324 -8.110) 10.638 16.997 ( 1.377 2.711 -1.829) 3.548 17.360 ( 3.923 -10.035 9.450) 14.331 18.093 ( 11.237 20.632 4.483) 23.918 18.900 ( 10.084 -15.521 -3.528) 18.843 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 1.273 18.143 -2.379) 18.342 1.715 ( 0.946 10.877 7.932) 13.495 2.159 ( 4.880 -0.258 2.626) 5.548 2.287 ( 4.731 6.426 -9.796) 12.634 2.560 ( -3.145 -4.337 -3.154) 6.217 2.737 ( 6.317 0.637 -0.873) 6.409 2.795 ( -3.501 4.354 -2.517) 6.128 2.881 ( -1.643 -5.285 -5.662) 7.918 3.043 ( 2.371 1.141 4.178) 4.938 3.209 ( 3.059 -2.186 -1.736) 4.141 3.263 ( 0.033 -6.592 1.196) 6.699 3.546 ( 2.186 -11.798 1.487) 12.091 4.370 ( 3.794 0.213 10.986) 11.625 4.391 ( 5.221 1.041 9.455) 10.851 4.736 ( 0.825 7.803 0.776) 7.885 4.999 ( -4.387 0.744 6.029) 7.493 5.153 ( 1.648 5.847 2.590) 6.604 5.234 ( -2.126 3.935 -0.450) 4.495 5.394 ( 3.874 -3.384 -2.082) 5.550 5.442 ( 2.259 -2.082 -2.306) 3.841 6.127 ( 0.122 -3.341 0.028) 3.343 6.216 ( -4.754 -6.145 0.575) 7.791 6.800 ( 4.772 -0.872 -8.031) 9.383 6.915 ( -3.123 -6.063 -6.177) 9.202 7.405 ( 6.220 2.992 -0.522) 6.922 7.478 ( 3.450 -2.128 -0.699) 4.113 7.535 ( -0.142 -0.393 -0.680) 0.798 7.619 ( 1.542 -3.248 0.671) 3.657 7.785 ( -8.859 -1.900 2.604) 9.427 7.916 ( -3.288 -8.871 0.668) 9.484 8.722 ( -1.272 1.495 7.676) 7.923 8.821 ( -2.877 -2.803 9.080) 9.929 9.284 ( 3.503 0.908 0.556) 3.661 9.331 ( 2.152 -1.549 -6.081) 6.634 9.572 ( -0.520 0.542 -1.484) 1.663 9.714 ( -1.401 -4.144 -3.536) 5.625 10.362 ( -2.875 6.760 -1.041) 7.419 10.448 ( -6.425 2.941 -2.770) 7.589 10.493 ( 0.692 7.176 -4.002) 8.245 10.735 ( 0.725 -2.627 -1.945) 3.348 11.099 ( 4.033 0.339 0.811) 4.128 11.180 ( 8.275 -4.650 6.098) 11.282 11.338 ( -1.349 0.723 -2.087) 2.588 11.590 ( -4.288 -7.041 1.924) 8.465 12.380 ( -1.888 14.413 2.855) 14.813 12.788 ( -2.064 -3.659 -2.453) 4.864 12.988 ( 7.034 4.333 3.037) 8.802 13.080 ( 3.393 -0.031 1.829) 3.855 14.216 ( -14.044 8.020 3.663) 16.582 14.565 ( -3.601 -3.761 -8.042) 9.581 15.015 ( -4.939 6.694 5.057) 9.735 15.338 ( -5.597 -6.804 6.639) 11.032 15.671 ( 2.050 -4.191 -5.841) 7.476 15.801 ( -1.638 -6.538 -8.382) 10.756 16.309 ( -5.703 3.319 -4.340) 7.898 16.421 ( -3.997 -2.418 -8.724) 9.896 17.108 ( 4.918 10.585 7.638) 13.949 17.496 ( 2.422 -2.359 4.723) 5.808 18.304 ( 6.003 13.444 7.503) 16.524 18.969 ( 4.946 -13.796 -6.431) 16.005 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 6.028 -6.085 0.046) 8.565 1.944 ( 6.028 6.085 0.046) 8.565 2.296 ( 2.789 -6.127 -1.092) 6.820 2.296 ( 2.789 6.129 -1.093) 6.821 2.459 ( -3.148 -7.984 -4.353) 9.623 2.459 ( -3.149 7.983 -4.354) 9.623 2.870 ( -1.153 -2.841 -2.471) 3.938 2.870 ( -1.154 2.840 -2.471) 3.937 3.088 ( -0.328 -4.266 2.853) 5.142 3.088 ( -0.327 4.266 2.852) 5.142 3.374 ( 0.443 -7.178 0.673) 7.223 3.374 ( 0.443 7.178 0.673) 7.223 4.595 ( 4.156 -2.286 9.161) 10.316 4.595 ( 4.156 2.287 9.163) 10.318 4.921 ( -2.704 -5.928 5.703) 8.658 4.921 ( -2.704 5.927 5.701) 8.657 5.256 ( -1.327 -5.055 -1.212) 5.365 5.256 ( -1.328 5.055 -1.211) 5.365 5.404 ( 0.642 -3.221 -1.601) 3.654 5.404 ( 0.642 3.224 -1.600) 3.656 6.060 ( -1.198 -0.798 -1.052) 1.783 6.060 ( -1.197 0.798 -1.053) 1.783 6.721 ( -1.285 -1.106 -7.309) 7.503 6.722 ( -1.287 1.108 -7.308) 7.503 7.511 ( -1.429 -0.967 -0.458) 1.785 7.511 ( -1.429 0.968 -0.457) 1.786 7.610 ( 1.205 -1.770 1.705) 2.737 7.610 ( 1.206 1.770 1.705) 2.737 7.685 ( 1.142 -3.917 -0.137) 4.082 7.685 ( 1.140 3.916 -0.138) 4.081 8.857 ( -0.369 -3.561 10.815) 11.392 8.857 ( -0.369 3.561 10.815) 11.392 9.299 ( 2.302 -1.341 -5.978) 6.545 9.299 ( 2.301 1.342 -5.978) 6.544 9.593 ( 0.487 -2.678 -1.205) 2.977 9.593 ( 0.487 2.678 -1.206) 2.977 10.363 ( -3.323 -0.295 -0.852) 3.443 10.363 ( -3.323 0.295 -0.853) 3.444 10.588 ( -0.361 -4.996 -4.036) 6.433 10.588 ( -0.360 4.997 -4.035) 6.433 11.228 ( 1.153 -4.142 -0.132) 4.302 11.228 ( 1.151 4.143 -0.133) 4.302 11.445 ( 2.723 0.559 3.675) 4.608 11.445 ( 2.721 -0.558 3.676) 4.607 12.601 ( -2.488 -7.093 -0.162) 7.518 12.601 ( -2.487 7.093 -0.162) 7.519 13.138 ( -0.395 -1.427 2.913) 3.268 13.138 ( -0.395 1.428 2.913) 3.268 14.319 ( 0.985 -9.685 -2.422) 10.032 14.319 ( 0.985 9.685 -2.422) 10.032 15.177 ( -2.490 -5.908 6.896) 9.416 15.177 ( -2.490 5.909 6.895) 9.416 15.595 ( 1.519 -2.187 -8.572) 8.976 15.595 ( 1.519 2.188 -8.572) 8.976 16.247 ( -1.568 -3.973 -4.479) 6.189 16.247 ( -1.569 3.973 -4.479) 6.189 17.499 ( 2.536 -7.748 7.461) 11.051 17.499 ( 2.537 7.748 7.461) 11.052 18.655 ( -0.651 -12.275 -2.526) 12.549 18.655 ( -0.651 12.275 -2.526) 12.549 ======================= Grid point 244 (131/170) ======================= q-point: ( 0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.823 -4.728 -4.200) 7.390 2.014 ( 3.822 4.726 -4.203) 7.390 2.223 ( -2.446 -3.171 -5.835) 7.077 2.223 ( -2.445 3.175 -5.837) 7.081 2.460 ( -0.241 -4.947 2.297) 5.460 2.460 ( -0.242 4.946 2.297) 5.459 2.789 ( -4.519 -1.015 -0.299) 4.641 2.789 ( -4.519 1.015 -0.299) 4.641 3.133 ( 0.332 -4.836 2.515) 5.461 3.133 ( 0.333 4.836 2.514) 5.461 3.358 ( -1.602 -2.629 -0.420) 3.107 3.358 ( -1.602 2.629 -0.420) 3.107 4.663 ( -1.709 -5.018 -1.349) 5.470 4.663 ( -1.708 5.019 -1.349) 5.471 4.979 ( -1.507 -2.306 9.454) 9.848 4.979 ( -1.507 2.306 9.454) 9.847 5.216 ( -0.503 -8.012 -1.478) 8.163 5.216 ( -0.503 8.012 -1.479) 8.163 5.360 ( -4.161 -2.040 -1.179) 4.782 5.360 ( -4.161 2.041 -1.179) 4.782 6.086 ( 4.678 -3.021 0.508) 5.592 6.086 ( 4.678 3.022 0.508) 5.592 6.640 ( -1.332 -4.141 -2.328) 4.934 6.640 ( -1.333 4.143 -2.329) 4.936 7.427 ( -6.735 -4.694 0.183) 8.212 7.427 ( -6.735 4.695 0.182) 8.212 7.565 ( -2.412 -4.116 -0.302) 4.780 7.565 ( -2.412 4.116 -0.302) 4.781 7.856 ( 12.559 -4.640 0.062) 13.389 7.857 ( 12.558 4.640 0.062) 13.388 8.931 ( -3.821 -3.736 6.450) 8.376 8.931 ( -3.822 3.737 6.451) 8.377 9.269 ( 3.291 -2.230 -6.302) 7.451 9.269 ( 3.290 2.230 -6.302) 7.451 9.612 ( 2.861 -1.135 -0.693) 3.155 9.612 ( 2.861 1.135 -0.693) 3.155 10.330 ( -1.630 -1.724 2.152) 3.203 10.330 ( -1.631 1.724 2.151) 3.202 10.568 ( 2.168 -2.215 -1.307) 3.364 10.568 ( 2.169 2.217 -1.306) 3.365 11.169 ( -5.694 -6.321 -1.331) 8.611 11.169 ( -5.693 6.320 -1.331) 8.610 11.531 ( 3.356 -7.660 -0.453) 8.375 11.531 ( 3.358 7.664 -0.452) 8.379 12.601 ( 1.658 -2.310 2.136) 3.556 12.601 ( 1.659 2.310 2.137) 3.557 13.100 ( -6.972 -2.695 1.669) 7.659 13.100 ( -6.972 2.696 1.669) 7.659 14.378 ( 8.357 -7.095 -2.461) 11.236 14.378 ( 8.357 7.095 -2.462) 11.236 15.237 ( 0.043 -4.233 6.339) 7.622 15.237 ( 0.043 4.233 6.338) 7.622 15.561 ( 5.622 -5.541 -6.162) 10.014 15.561 ( 5.622 5.542 -6.163) 10.015 16.222 ( 2.111 -5.202 -0.883) 5.683 16.222 ( 2.112 5.203 -0.882) 5.684 17.576 ( 0.167 -2.971 1.775) 3.465 17.576 ( 0.168 2.971 1.775) 3.465 18.573 ( -6.694 -5.733 -0.851) 8.854 18.573 ( -6.694 5.734 -0.852) 8.855 ======================= Grid point 246 (132/170) ======================= q-point: ( 0.18 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -1.663 -5.991 -9.113) 11.032 1.940 ( -1.664 5.990 -9.113) 11.031 2.157 ( -4.154 -2.657 -0.259) 4.938 2.157 ( -4.155 2.657 -0.259) 4.939 2.441 ( -1.028 -1.712 0.185) 2.005 2.441 ( -1.028 1.713 0.185) 2.007 2.758 ( -2.655 -3.696 3.829) 5.947 2.758 ( -2.654 3.695 3.829) 5.947 3.131 ( -0.976 -1.846 -0.963) 2.300 3.132 ( -0.975 1.847 -0.963) 2.300 3.325 ( -2.534 -4.439 0.054) 5.111 3.325 ( -2.534 4.439 0.054) 5.112 4.565 ( -3.785 -6.092 -5.203) 8.861 4.565 ( -3.785 6.092 -5.204) 8.861 5.010 ( -1.623 -6.900 0.189) 7.090 5.010 ( -1.624 6.899 0.190) 7.090 5.224 ( -1.403 -5.467 1.381) 5.811 5.224 ( -1.403 5.467 1.381) 5.811 5.263 ( -5.392 -5.658 1.476) 7.954 5.263 ( -5.394 5.659 1.475) 7.956 6.180 ( 4.671 -4.971 -0.043) 6.821 6.180 ( 4.672 4.970 -0.042) 6.821 6.653 ( 2.182 -5.391 4.583) 7.404 6.653 ( 2.180 5.392 4.582) 7.405 7.339 ( -4.292 -3.817 0.649) 5.780 7.339 ( -4.292 3.816 0.649) 5.780 7.519 ( -2.217 -4.608 -1.473) 5.322 7.519 ( -2.216 4.608 -1.473) 5.321 8.043 ( 9.779 -2.710 -1.517) 10.260 8.043 ( 9.779 2.710 -1.516) 10.261 8.913 ( -1.152 -1.125 1.625) 2.288 8.913 ( -1.152 1.126 1.625) 2.288 9.251 ( 0.738 -2.558 -4.157) 4.936 9.251 ( 0.738 2.558 -4.157) 4.937 9.652 ( 2.954 -2.090 -1.565) 3.942 9.652 ( 2.954 2.090 -1.565) 3.942 10.370 ( 1.350 -1.626 5.758) 6.133 10.370 ( 1.349 1.628 5.755) 6.131 10.614 ( 2.597 -3.286 0.518) 4.220 10.614 ( 2.596 3.286 0.517) 4.220 11.042 ( -6.411 -5.067 -2.175) 8.456 11.042 ( -6.412 5.068 -2.176) 8.458 11.543 ( 1.104 6.233 -2.639) 6.858 11.543 ( 1.106 -6.233 -2.639) 6.858 12.674 ( 2.512 -3.303 1.877) 4.554 12.674 ( 2.514 3.302 1.876) 4.554 12.979 ( -7.939 -5.100 0.997) 9.489 12.979 ( -7.939 5.101 0.998) 9.489 14.507 ( 9.685 -3.459 -1.663) 10.417 14.507 ( 9.685 3.459 -1.663) 10.417 15.299 ( -1.371 -7.502 5.953) 9.675 15.299 ( -1.371 7.503 5.954) 9.676 15.669 ( 14.052 -9.374 -3.233) 17.199 15.669 ( 14.051 9.375 -3.232) 17.198 16.292 ( 5.008 -4.862 2.538) 7.427 16.292 ( 5.008 4.861 2.538) 7.426 17.539 ( -2.254 -5.878 -5.433) 8.316 17.539 ( -2.254 5.878 -5.433) 8.316 18.426 ( -11.617 -4.264 1.938) 12.526 18.426 ( -11.617 4.265 1.938) 12.526 ======================= Grid point 248 (133/170) ======================= q-point: ( 0.27 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.591 -5.143 -3.902) 6.483 1.843 ( 0.590 5.140 -3.903) 6.481 2.034 ( -8.506 -3.841 -1.052) 9.392 2.034 ( -8.505 3.842 -1.052) 9.392 2.469 ( 0.049 -3.822 3.398) 5.114 2.469 ( 0.047 3.823 3.398) 5.115 2.749 ( -2.969 -1.624 2.972) 4.504 2.749 ( -2.969 1.624 2.971) 4.503 3.103 ( -1.287 -0.543 -0.785) 1.602 3.103 ( -1.287 0.543 -0.786) 1.603 3.271 ( -2.393 -7.010 -1.159) 7.497 3.271 ( -2.393 7.011 -1.160) 7.498 4.463 ( -0.352 -4.828 -5.917) 7.644 4.463 ( -0.351 4.828 -5.917) 7.645 4.958 ( -1.620 -8.569 -4.032) 9.608 4.958 ( -1.620 8.567 -4.031) 9.606 5.135 ( -5.909 -3.856 -0.270) 7.062 5.135 ( -5.909 3.857 -0.270) 7.062 5.234 ( -4.808 -3.394 1.078) 5.983 5.234 ( -4.807 3.396 1.079) 5.983 6.227 ( 2.225 -6.803 -0.407) 7.169 6.227 ( 2.225 6.803 -0.407) 7.169 6.799 ( 5.979 -4.757 6.926) 10.312 6.799 ( 5.978 4.758 6.926) 10.312 7.292 ( -3.297 -2.581 1.344) 4.398 7.292 ( -3.297 2.581 1.344) 4.397 7.456 ( -2.072 -4.496 -3.040) 5.809 7.456 ( -2.071 4.496 -3.040) 5.809 8.113 ( 3.330 -2.000 -5.049) 6.370 8.113 ( 3.329 2.001 -5.049) 6.370 8.982 ( 6.042 -4.888 0.921) 7.826 8.982 ( 6.042 4.888 0.921) 7.826 9.205 ( -0.708 -2.146 -0.789) 2.394 9.205 ( -0.707 2.147 -0.789) 2.394 9.676 ( 2.016 -4.998 -0.779) 5.445 9.676 ( 2.016 4.998 -0.779) 5.445 10.472 ( -0.670 -2.764 7.127) 7.674 10.472 ( -0.670 2.765 7.126) 7.673 10.631 ( 1.714 -0.566 -2.744) 3.285 10.631 ( 1.715 0.566 -2.745) 3.286 10.945 ( -2.242 -3.406 -1.416) 4.316 10.945 ( -2.244 3.406 -1.416) 4.318 11.541 ( 0.810 5.959 0.506) 6.035 11.541 ( 0.812 -5.958 0.505) 6.034 12.661 ( -3.825 -5.007 -2.098) 6.641 12.661 ( -3.824 5.007 -2.099) 6.641 12.912 ( -1.924 -6.611 1.142) 6.979 12.912 ( -1.926 6.611 1.143) 6.980 14.664 ( 9.400 -4.924 2.007) 10.800 14.664 ( 9.399 4.924 2.007) 10.799 15.324 ( -3.845 -7.197 6.385) 10.361 15.324 ( -3.845 7.198 6.385) 10.362 15.925 ( 20.223 -7.569 -3.776) 21.921 15.925 ( 20.223 7.571 -3.775) 21.921 16.434 ( 6.097 -3.594 6.027) 9.296 16.434 ( 6.097 3.593 6.027) 9.296 17.383 ( -4.498 -13.466 -11.649) 18.365 17.383 ( -4.498 13.466 -11.649) 18.364 18.242 ( -14.365 -12.760 3.809) 19.588 18.242 ( -14.365 12.762 3.809) 19.589 ======================= Grid point 250 (134/170) ======================= q-point: ( 0.36 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -6.704 -6.566 -2.695) 9.764 1.801 ( -6.703 6.568 -2.696) 9.764 1.983 ( 4.731 -3.791 5.687) 8.313 1.983 ( 4.730 3.789 5.689) 8.312 2.461 ( -3.618 -8.418 0.550) 9.179 2.461 ( -3.618 8.418 0.550) 9.179 2.756 ( -1.987 -5.808 5.569) 8.288 2.756 ( -1.986 5.809 5.569) 8.289 3.075 ( -0.282 -0.973 -0.642) 1.199 3.075 ( -0.281 0.973 -0.642) 1.199 3.247 ( -0.276 -6.262 0.875) 6.329 3.247 ( -0.276 6.263 0.874) 6.330 4.427 ( 4.270 -2.675 -6.540) 8.256 4.427 ( 4.271 2.675 -6.540) 8.256 4.867 ( -2.198 -6.265 -6.830) 9.525 4.867 ( -2.198 6.265 -6.828) 9.523 5.041 ( -4.999 -6.248 -1.184) 8.088 5.041 ( -5.000 6.250 -1.184) 8.091 5.117 ( -7.749 -4.109 -1.454) 8.891 5.117 ( -7.750 4.108 -1.453) 8.891 6.263 ( 1.975 -7.350 0.648) 7.638 6.263 ( 1.975 7.350 0.648) 7.638 6.956 ( 4.763 -3.047 3.550) 6.676 6.956 ( 4.761 3.047 3.550) 6.675 7.243 ( -5.170 -2.504 2.350) 6.207 7.243 ( -5.170 2.504 2.349) 6.206 7.404 ( 0.242 -4.521 -2.687) 5.265 7.404 ( 0.244 4.521 -2.688) 5.266 8.068 ( 0.498 -5.699 -7.270) 9.251 8.068 ( 0.497 5.700 -7.271) 9.252 8.987 ( 0.233 -3.786 -7.281) 8.210 8.987 ( 0.233 3.787 -7.281) 8.211 9.339 ( 7.904 -4.475 10.960) 14.234 9.339 ( 7.904 4.475 10.960) 14.234 9.717 ( 2.352 -6.779 1.996) 7.448 9.717 ( 2.352 6.779 1.996) 7.448 10.417 ( -7.439 -4.201 -2.445) 8.886 10.417 ( -7.440 4.202 -2.445) 8.887 10.660 ( 2.451 -2.612 -1.939) 4.073 10.660 ( 2.451 2.611 -1.940) 4.073 10.938 ( 1.353 -4.276 1.783) 4.827 10.938 ( 1.352 4.277 1.782) 4.826 11.587 ( 1.186 3.777 4.479) 5.978 11.588 ( 1.188 -3.776 4.478) 5.977 12.569 ( -3.108 -3.359 -1.729) 4.892 12.569 ( -3.108 3.359 -1.729) 4.892 12.886 ( -1.424 -5.683 -2.253) 6.277 12.886 ( -1.425 5.683 -2.253) 6.277 14.862 ( 8.483 -9.062 6.232) 13.890 14.862 ( 8.483 9.062 6.232) 13.890 15.330 ( -4.286 -5.328 7.684) 10.286 15.330 ( -4.286 5.329 7.685) 10.287 16.185 ( 16.406 -3.997 -7.056) 18.300 16.185 ( 16.405 3.998 -7.056) 18.300 16.622 ( 6.225 -7.914 8.135) 12.944 16.622 ( 6.223 7.913 8.136) 12.943 17.160 ( -3.266 -18.398 -13.704) 23.172 17.160 ( -3.266 18.397 -13.703) 23.171 18.043 ( -14.417 -17.766 3.184) 23.100 18.043 ( -14.417 17.768 3.184) 23.102 ======================= Grid point 252 (135/170) ======================= q-point: ( 0.45 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -4.001 -2.285 -3.719) 5.921 1.654 ( -4.001 2.285 -3.720) 5.922 2.175 ( 4.238 -3.152 7.085) 8.837 2.175 ( 4.239 3.152 7.085) 8.838 2.436 ( 1.530 -6.929 2.830) 7.639 2.436 ( 1.533 6.929 2.831) 7.640 2.782 ( -1.659 -3.216 3.990) 5.386 2.782 ( -1.659 3.217 3.990) 5.387 3.080 ( 0.865 -1.768 -1.262) 2.338 3.080 ( 0.865 1.769 -1.262) 2.339 3.286 ( 0.454 -2.129 6.824) 7.162 3.286 ( 0.454 2.128 6.825) 7.163 4.425 ( 5.760 -2.414 -11.346) 12.951 4.425 ( 5.759 2.414 -11.345) 12.951 4.724 ( -4.012 -5.654 -7.998) 10.585 4.724 ( -4.011 5.654 -7.996) 10.583 4.952 ( -3.031 -8.819 -0.727) 9.354 4.952 ( -3.032 8.820 -0.725) 9.354 4.997 ( -4.206 -6.313 -1.252) 7.689 4.997 ( -4.206 6.313 -1.254) 7.689 6.303 ( 1.069 -6.364 1.715) 6.677 6.303 ( 1.068 6.364 1.715) 6.677 7.008 ( -0.106 -0.501 -1.982) 2.047 7.008 ( -0.106 0.502 -1.983) 2.048 7.198 ( -5.305 -3.305 6.511) 9.025 7.198 ( -5.307 3.304 6.510) 9.025 7.406 ( 3.129 -3.785 -2.256) 5.404 7.406 ( 3.129 3.785 -2.257) 5.404 7.987 ( 0.877 -7.488 -8.454) 11.327 7.987 ( 0.877 7.488 -8.455) 11.328 8.914 ( -0.406 -2.098 -4.347) 4.844 8.914 ( -0.406 2.098 -4.347) 4.844 9.593 ( 5.896 -2.405 10.781) 12.521 9.593 ( 5.896 2.405 10.781) 12.521 9.802 ( 3.549 -6.014 4.724) 8.431 9.802 ( 3.549 6.014 4.724) 8.431 10.240 ( -6.762 -5.015 -6.374) 10.559 10.240 ( -6.762 5.016 -6.374) 10.560 10.618 ( -1.610 -1.377 -5.443) 5.841 10.618 ( -1.610 1.376 -5.444) 5.841 11.014 ( 2.556 -1.718 4.163) 5.179 11.014 ( 2.556 1.719 4.163) 5.178 11.664 ( 0.805 1.618 5.491) 5.780 11.665 ( 0.805 -1.617 5.489) 5.779 12.539 ( 0.745 -3.392 -0.176) 3.477 12.539 ( 0.745 3.392 -0.176) 3.478 12.810 ( -2.893 -4.499 -4.348) 6.893 12.810 ( -2.893 4.499 -4.347) 6.893 15.048 ( 4.018 -9.100 6.302) 11.776 15.048 ( 4.019 9.101 6.302) 11.777 15.387 ( -1.424 -2.910 12.105) 12.531 15.387 ( -1.423 2.910 12.107) 12.533 16.250 ( 2.322 -12.688 -10.181) 16.433 16.250 ( 2.323 12.687 -10.180) 16.432 16.706 ( -3.564 -3.354 -0.499) 4.919 16.706 ( -3.564 3.353 -0.499) 4.919 17.112 ( 12.323 -19.728 -4.887) 23.768 17.112 ( 12.322 19.728 -4.888) 23.768 17.855 ( -10.477 -15.560 1.628) 18.829 17.855 ( -10.479 15.562 1.627) 18.831 ======================= Grid point 254 (136/170) ======================= q-point: (-0.45 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 7.237 -4.460 -2.943) 8.996 1.638 ( 7.237 4.459 -2.941) 8.995 2.243 ( 0.046 -1.137 3.437) 3.621 2.243 ( 0.048 1.137 3.437) 3.620 2.543 ( 2.010 -1.847 2.493) 3.697 2.543 ( 2.009 1.846 2.493) 3.696 2.798 ( 0.310 -1.119 1.647) 2.016 2.798 ( 0.310 1.121 1.647) 2.016 3.054 ( -0.818 -1.220 -2.168) 2.619 3.054 ( -0.818 1.220 -2.168) 2.618 3.405 ( -0.379 -3.082 11.044) 11.472 3.405 ( -0.378 3.082 11.044) 11.472 4.296 ( 0.538 -2.488 -18.646) 18.819 4.296 ( 0.537 2.489 -18.648) 18.821 4.642 ( 0.614 1.558 -0.830) 1.869 4.642 ( 0.614 -1.558 -0.829) 1.868 4.931 ( 0.373 -6.521 -0.054) 6.532 4.932 ( 0.374 6.525 -0.055) 6.536 4.975 ( 3.371 -9.253 -0.200) 9.850 4.975 ( 3.371 9.250 -0.199) 9.847 6.330 ( -0.428 -3.821 1.580) 4.157 6.330 ( -0.429 3.822 1.580) 4.157 6.930 ( -5.996 -1.978 -0.566) 6.339 6.930 ( -5.998 1.978 -0.566) 6.341 7.219 ( -1.372 -6.659 6.062) 9.109 7.219 ( -1.375 6.659 6.062) 9.109 7.450 ( 4.850 -1.973 -1.720) 5.512 7.450 ( 4.849 1.973 -1.722) 5.511 7.915 ( 1.592 -6.652 -7.873) 10.429 7.915 ( 1.592 6.653 -7.874) 10.431 8.872 ( -1.143 -1.665 -1.647) 2.606 8.872 ( -1.143 1.666 -1.646) 2.606 9.729 ( -1.159 -2.958 5.574) 6.416 9.729 ( -1.159 2.957 5.574) 6.415 9.904 ( -1.425 -3.100 4.804) 5.892 9.904 ( -1.427 3.100 4.803) 5.892 10.108 ( 1.624 -2.086 -4.561) 5.271 10.108 ( 1.626 2.088 -4.559) 5.272 10.532 ( -0.754 -0.912 -3.748) 3.931 10.532 ( -0.755 0.912 -3.747) 3.930 11.084 ( 1.157 -0.827 1.976) 2.435 11.084 ( 1.156 0.829 1.977) 2.436 11.721 ( -0.692 -0.265 3.648) 3.723 11.721 ( -0.693 0.266 3.646) 3.721 12.571 ( 2.530 -2.442 -1.014) 3.659 12.571 ( 2.530 2.443 -1.015) 3.661 12.718 ( -2.522 -1.063 -1.877) 3.318 12.718 ( -2.522 1.063 -1.877) 3.319 15.128 ( -0.062 -3.354 3.692) 4.988 15.128 ( -0.063 3.355 3.693) 4.990 15.521 ( -3.851 -5.128 13.895) 15.304 15.522 ( -3.850 5.128 13.895) 15.304 16.073 ( -5.844 -12.023 -10.051) 16.725 16.073 ( -5.844 12.023 -10.051) 16.725 16.622 ( -4.245 -5.584 -0.107) 7.016 16.622 ( -4.243 5.583 -0.109) 7.013 17.242 ( 6.141 -8.714 -7.686) 13.142 17.242 ( 6.139 8.715 -7.685) 13.142 17.813 ( 4.680 -9.109 3.389) 10.787 17.813 ( 4.680 9.110 3.389) 10.787 ======================= Grid point 256 (137/170) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 15.066 -9.779 -2.590) 18.147 1.805 ( 15.066 9.779 -2.589) 18.147 2.308 ( 3.857 -4.742 2.412) 6.571 2.308 ( 3.857 4.742 2.409) 6.570 2.459 ( -7.640 -5.564 -6.883) 11.692 2.459 ( -7.637 5.564 -6.881) 11.689 2.848 ( 2.835 -3.594 1.820) 4.926 2.848 ( 2.835 3.594 1.819) 4.926 3.032 ( -1.034 -2.551 0.927) 2.905 3.032 ( -1.034 2.550 0.928) 2.904 3.445 ( -5.054 -4.681 2.742) 7.415 3.445 ( -5.054 4.681 2.742) 7.415 4.138 ( 0.381 -2.292 -8.125) 8.451 4.138 ( 0.381 2.293 -8.125) 8.451 4.695 ( 5.193 7.150 1.076) 8.902 4.695 ( 5.189 -7.148 1.074) 8.898 4.970 ( 3.794 -7.824 0.629) 8.718 4.970 ( 3.794 7.823 0.628) 8.717 5.081 ( 7.844 -9.109 1.080) 12.069 5.081 ( 7.843 9.110 1.081) 12.069 6.311 ( -2.661 -2.505 -0.466) 3.684 6.311 ( -2.660 2.505 -0.466) 3.684 6.840 ( -6.182 -1.226 3.768) 7.343 6.841 ( -6.183 1.226 3.767) 7.344 7.274 ( 1.309 -5.580 3.360) 6.644 7.274 ( 1.309 5.582 3.361) 6.646 7.524 ( 5.500 -2.964 -0.914) 6.315 7.524 ( 5.500 2.963 -0.916) 6.314 7.861 ( 0.757 -3.961 -5.117) 6.515 7.861 ( 0.757 3.961 -5.117) 6.515 8.831 ( -2.636 -1.672 0.022) 3.122 8.831 ( -2.637 1.673 0.022) 3.122 9.665 ( -7.681 -4.597 -2.851) 9.395 9.665 ( -7.681 4.597 -2.851) 9.394 9.851 ( -5.463 -4.598 0.102) 7.142 9.851 ( -5.463 4.599 0.101) 7.142 10.197 ( 7.443 -2.774 2.316) 8.274 10.197 ( 7.443 2.774 2.317) 8.274 10.547 ( 3.384 -3.233 2.022) 5.098 10.547 ( 3.384 3.233 2.023) 5.098 11.087 ( -0.928 -2.985 -1.953) 3.686 11.087 ( -0.929 2.986 -1.953) 3.687 11.714 ( -2.979 -2.340 0.421) 3.812 11.714 ( -2.981 2.341 0.419) 3.814 12.556 ( -0.389 -1.944 -2.619) 3.285 12.556 ( -0.390 1.944 -2.619) 3.285 12.737 ( 2.891 -5.124 3.239) 6.716 12.737 ( 2.891 5.124 3.239) 6.716 15.143 ( -1.286 -6.348 -0.407) 6.490 15.143 ( -1.286 6.349 -0.407) 6.491 15.439 ( -16.537 -6.958 3.791) 18.338 15.439 ( -16.537 6.957 3.793) 18.337 15.964 ( -2.519 -2.859 0.826) 3.899 15.964 ( -2.519 2.860 0.825) 3.900 16.586 ( -2.899 -11.640 5.544) 13.215 16.586 ( -2.898 11.639 5.544) 13.214 17.149 ( -0.847 -10.301 -11.958) 15.806 17.149 ( -0.851 10.303 -11.957) 15.807 18.041 ( 15.148 -20.055 3.087) 25.321 18.041 ( 15.147 20.054 3.087) 25.320 ======================= Grid point 258 (138/170) ======================= q-point: (-0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 8.706 -11.398 -5.484) 15.355 1.991 ( 8.706 11.398 -5.484) 15.356 2.196 ( -4.299 -7.902 -11.317) 14.457 2.196 ( -4.296 7.902 -11.316) 14.455 2.458 ( 6.334 -6.120 4.671) 9.969 2.458 ( 6.333 6.120 4.671) 9.969 2.906 ( 2.220 -5.549 -0.831) 6.035 2.906 ( 2.220 5.549 -0.832) 6.034 3.039 ( -0.271 -2.738 3.835) 4.720 3.039 ( -0.272 2.737 3.834) 4.718 3.342 ( -4.253 -6.277 -4.746) 8.945 3.342 ( -4.254 6.278 -4.746) 8.946 4.119 ( -0.171 -1.139 3.559) 3.740 4.119 ( -0.172 1.140 3.558) 3.740 4.811 ( 5.897 -9.245 1.484) 11.066 4.811 ( 5.898 9.246 1.486) 11.068 5.059 ( 4.919 -8.549 1.914) 10.048 5.059 ( 4.919 8.549 1.914) 10.047 5.231 ( 8.230 -6.798 0.850) 10.708 5.231 ( 8.230 6.799 0.851) 10.709 6.243 ( -3.992 -4.274 -0.929) 5.922 6.243 ( -3.993 4.275 -0.930) 5.923 6.819 ( -2.504 -0.733 4.791) 5.456 6.819 ( -2.504 0.734 4.791) 5.455 7.332 ( 2.402 -4.291 1.446) 5.125 7.332 ( 2.403 4.291 1.446) 5.126 7.576 ( 4.115 -3.164 -5.499) 7.562 7.576 ( 4.115 3.164 -5.499) 7.562 7.838 ( -1.131 -2.639 2.253) 3.650 7.838 ( -1.132 2.639 2.253) 3.650 8.794 ( -3.696 -1.896 3.004) 5.127 8.794 ( -3.696 1.896 3.005) 5.127 9.472 ( -7.541 -5.294 -6.449) 11.246 9.472 ( -7.541 5.294 -6.449) 11.246 9.756 ( -4.129 -4.678 -2.250) 6.633 9.756 ( -4.128 4.679 -2.250) 6.633 10.363 ( 6.396 -1.729 5.869) 8.851 10.363 ( 6.396 1.729 5.869) 8.851 10.644 ( 3.938 -5.007 2.102) 6.708 10.644 ( 3.937 5.007 2.102) 6.708 11.016 ( -2.101 -4.415 -4.894) 6.918 11.016 ( -2.101 4.415 -4.894) 6.918 11.638 ( -4.954 -3.934 -1.765) 6.567 11.638 ( -4.958 3.934 -1.767) 6.571 12.553 ( 1.300 -4.119 1.260) 4.499 12.553 ( 1.300 4.119 1.260) 4.499 12.837 ( 4.337 -4.902 3.077) 7.232 12.837 ( 4.337 4.903 3.077) 7.233 14.981 ( -11.286 -11.289 -10.056) 18.866 14.981 ( -11.285 11.289 -10.055) 18.865 15.275 ( -10.749 -2.547 10.140) 14.995 15.275 ( -10.749 2.547 10.139) 14.995 15.893 ( -5.444 -5.899 -2.321) 8.356 15.893 ( -5.444 5.900 -2.321) 8.356 16.631 ( -3.411 -13.902 6.582) 15.755 16.631 ( -3.410 13.903 6.583) 15.756 17.035 ( 2.981 -3.065 -6.942) 8.153 17.035 ( 2.981 3.065 -6.941) 8.152 18.318 ( 14.760 -21.074 0.844) 25.743 18.318 ( 14.760 21.074 0.843) 25.742 ======================= Grid point 260 (139/170) ======================= q-point: (-0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -2.718 -4.878 -7.553) 9.393 1.892 ( -2.717 4.881 -7.553) 9.395 2.176 ( 4.781 -12.516 -2.499) 13.629 2.176 ( 4.781 12.515 -2.499) 13.628 2.606 ( 7.017 -4.819 -0.542) 8.530 2.606 ( 7.017 4.818 -0.542) 8.529 2.868 ( -1.409 -4.485 -4.608) 6.583 2.868 ( -1.410 4.485 -4.608) 6.583 3.143 ( 4.116 -3.882 5.715) 8.042 3.143 ( 4.115 3.881 5.715) 8.041 3.232 ( -2.190 -8.804 -3.821) 9.844 3.232 ( -2.190 8.804 -3.821) 9.844 4.207 ( 1.792 -0.671 9.787) 9.972 4.207 ( 1.791 0.672 9.787) 9.972 4.893 ( 2.170 -9.210 0.876) 9.503 4.893 ( 2.170 9.210 0.877) 9.503 5.167 ( 4.620 -6.160 2.787) 8.189 5.167 ( 4.620 6.160 2.787) 8.189 5.348 ( 5.384 -3.840 -0.726) 6.653 5.348 ( 5.385 3.841 -0.725) 6.654 6.174 ( -3.663 -4.076 0.008) 5.480 6.174 ( -3.663 4.076 0.008) 5.480 6.843 ( 0.869 -3.285 0.226) 3.406 6.843 ( 0.869 3.287 0.224) 3.407 7.386 ( 3.160 -3.457 0.266) 4.691 7.386 ( 3.161 3.457 0.266) 4.692 7.549 ( 2.229 -0.966 -6.271) 6.725 7.549 ( 2.229 0.967 -6.271) 6.725 7.849 ( -4.410 -2.161 5.662) 7.495 7.849 ( -4.411 2.161 5.660) 7.495 8.768 ( -5.482 -2.659 5.469) 8.188 8.768 ( -5.483 2.659 5.469) 8.188 9.327 ( -0.940 -3.723 -5.266) 6.517 9.327 ( -0.939 3.724 -5.266) 6.517 9.673 ( -2.513 -4.687 -2.436) 5.850 9.674 ( -2.513 4.687 -2.437) 5.850 10.499 ( 0.988 -1.555 4.511) 4.872 10.499 ( 0.989 1.556 4.512) 4.874 10.674 ( 0.690 -2.669 -3.984) 4.845 10.674 ( 0.689 2.668 -3.986) 4.846 10.977 ( 3.512 -2.296 -0.615) 4.241 10.977 ( 3.511 2.297 -0.616) 4.240 11.528 ( -5.407 -4.851 -1.683) 7.457 11.528 ( -5.412 4.851 -1.683) 7.460 12.612 ( 1.626 -8.246 3.301) 9.029 12.612 ( 1.626 8.246 3.301) 9.029 12.944 ( 5.084 -3.444 2.283) 6.552 12.944 ( 5.084 3.445 2.283) 6.552 14.665 ( -13.101 -9.675 -7.440) 17.905 14.665 ( -13.101 9.675 -7.440) 17.906 15.226 ( -9.459 -7.009 9.069) 14.861 15.226 ( -9.459 7.009 9.069) 14.861 15.771 ( -2.478 -6.759 -6.234) 9.523 15.771 ( -2.479 6.759 -6.235) 9.524 16.544 ( -6.279 -6.544 -5.399) 10.555 16.544 ( -6.279 6.544 -5.400) 10.555 17.134 ( 6.300 -9.670 7.496) 13.762 17.134 ( 6.301 9.670 7.497) 13.763 18.530 ( 10.934 -19.574 -1.233) 22.455 18.530 ( 10.934 19.574 -1.233) 22.455 ======================= Grid point 262 (140/170) ======================= q-point: (-0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 3.508 -2.510 -0.697) 4.370 1.855 ( 3.507 2.512 -0.698) 4.370 2.228 ( 3.011 -9.154 1.156) 9.706 2.228 ( 3.011 9.155 1.156) 9.706 2.599 ( -0.380 -8.276 -10.303) 13.221 2.599 ( -0.381 8.276 -10.303) 13.221 2.854 ( 2.223 -1.893 1.168) 3.144 2.854 ( 2.223 1.893 1.167) 3.145 3.120 ( -2.697 -5.289 -2.969) 6.638 3.120 ( -2.697 5.289 -2.969) 6.638 3.308 ( 3.831 -9.784 4.636) 11.485 3.308 ( 3.831 9.783 4.636) 11.484 4.389 ( 4.363 -1.025 12.464) 13.245 4.389 ( 4.362 1.025 12.465) 13.246 4.914 ( -0.959 -7.792 1.886) 8.075 4.914 ( -0.959 7.792 1.886) 8.074 5.253 ( 1.741 -3.066 1.973) 4.041 5.253 ( 1.741 3.066 1.974) 4.041 5.394 ( 2.865 -2.700 -2.288) 4.554 5.394 ( 2.865 2.703 -2.288) 4.555 6.115 ( -3.514 -2.583 -0.338) 4.374 6.115 ( -3.514 2.583 -0.338) 4.374 6.819 ( 0.258 -2.815 -6.756) 7.323 6.819 ( 0.259 2.816 -6.757) 7.325 7.459 ( 6.477 -1.185 -0.696) 6.621 7.459 ( 6.477 1.185 -0.696) 6.621 7.541 ( 1.413 -2.241 -0.550) 2.706 7.541 ( 1.413 2.242 -0.550) 2.706 7.790 ( -8.625 -2.741 2.956) 9.521 7.790 ( -8.626 2.742 2.955) 9.521 8.765 ( -2.810 -2.499 8.119) 8.948 8.765 ( -2.810 2.500 8.119) 8.948 9.307 ( 2.779 -1.150 -3.395) 4.535 9.307 ( 2.779 1.151 -3.394) 4.535 9.619 ( -1.148 -3.880 -1.977) 4.503 9.619 ( -1.148 3.880 -1.978) 4.504 10.458 ( -4.944 -2.013 -2.517) 5.902 10.458 ( -4.944 2.013 -2.518) 5.902 10.639 ( 0.078 -6.215 -3.460) 7.114 10.639 ( 0.079 6.216 -3.460) 7.114 11.108 ( 8.551 -1.784 3.071) 9.259 11.108 ( 8.552 1.785 3.071) 9.260 11.439 ( -4.005 -6.924 0.490) 8.013 11.439 ( -4.009 6.924 0.489) 8.016 12.641 ( -1.775 -9.917 1.276) 10.155 12.641 ( -1.775 9.917 1.275) 10.155 13.059 ( 5.009 -2.073 2.772) 6.088 13.059 ( 5.008 2.074 2.772) 6.088 14.417 ( -8.265 -9.648 -4.075) 13.342 14.417 ( -8.265 9.649 -4.076) 13.342 15.176 ( -7.132 -8.232 7.524) 13.238 15.176 ( -7.132 8.233 7.524) 13.238 15.676 ( 0.348 -4.214 -8.082) 9.121 15.676 ( 0.348 4.214 -8.082) 9.121 16.370 ( -4.844 -2.545 -7.312) 9.133 16.370 ( -4.844 2.545 -7.313) 9.133 17.336 ( 4.797 -10.434 10.225) 15.376 17.336 ( 4.798 10.435 10.225) 15.377 18.645 ( 5.502 -16.723 -2.537) 17.786 18.645 ( 5.502 16.722 -2.537) 17.786 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 22.431 0.000 -23.072) 32.179 1.436 ( -22.434 0.000 23.075) 32.183 1.749 ( 3.751 0.000 -22.982) 23.286 1.749 ( -3.750 0.000 22.982) 23.286 2.485 ( 3.548 0.000 -10.003) 10.614 2.485 ( -3.549 0.000 10.008) 10.619 3.053 ( -2.944 0.000 5.893) 6.588 3.054 ( 2.944 0.000 -5.892) 6.587 3.197 ( 0.206 0.000 -6.276) 6.279 3.197 ( -0.206 0.000 6.276) 6.280 3.749 ( -0.449 0.000 -9.498) 9.509 3.749 ( 0.449 0.000 9.499) 9.509 4.304 ( 2.808 0.000 -3.677) 4.626 4.304 ( -2.808 0.000 3.678) 4.627 4.845 ( 2.109 0.000 -5.521) 5.910 4.845 ( -2.108 0.000 5.522) 5.910 5.112 ( 1.249 0.000 -7.741) 7.841 5.112 ( -1.248 0.000 7.742) 7.842 5.587 ( 4.973 0.000 -5.358) 7.310 5.587 ( -4.972 0.000 5.358) 7.309 6.420 ( 4.994 0.000 -2.891) 5.770 6.420 ( -4.994 0.000 2.891) 5.770 6.932 ( 4.444 0.000 -2.785) 5.244 6.932 ( -4.444 0.000 2.784) 5.244 7.220 ( -5.231 0.000 8.532) 10.008 7.220 ( 5.233 0.000 -8.526) 10.004 7.599 ( -1.701 0.000 -1.314) 2.149 7.599 ( 1.701 0.000 1.314) 2.149 8.285 ( -2.746 0.000 -5.491) 6.140 8.286 ( 2.745 0.000 5.494) 6.142 9.165 ( -3.545 0.000 -6.234) 7.172 9.165 ( 3.544 0.000 6.245) 7.181 9.262 ( 3.100 0.000 12.771) 13.142 9.262 ( -3.103 0.000 -12.781) 13.152 9.548 ( -4.038 0.000 0.402) 4.058 9.548 ( 4.038 0.000 -0.399) 4.058 10.081 ( -3.022 0.000 -1.216) 3.258 10.081 ( 3.022 0.000 1.217) 3.257 10.415 ( 1.685 0.000 -6.522) 6.736 10.415 ( -1.685 0.000 6.525) 6.739 11.289 ( -14.519 0.000 -14.504) 20.523 11.289 ( 14.515 0.000 14.503) 20.519 11.743 ( 7.326 0.000 -5.835) 9.365 11.744 ( -7.326 0.000 5.836) 9.366 12.198 ( -0.168 0.000 -13.304) 13.305 12.198 ( 0.171 0.000 13.306) 13.307 12.992 ( 12.862 0.000 -5.882) 14.143 12.992 ( -12.863 0.000 5.882) 14.144 14.390 ( 14.463 0.000 -22.527) 26.770 14.390 ( -14.462 0.000 22.527) 26.770 15.264 ( -3.479 0.000 -19.896) 20.197 15.264 ( 3.476 0.000 19.898) 20.199 15.793 ( -5.026 0.000 -3.601) 6.183 15.793 ( 5.026 0.000 3.601) 6.183 16.352 ( -2.087 0.000 -6.646) 6.966 16.352 ( 2.088 0.000 6.647) 6.967 16.631 ( -2.364 0.000 0.168) 2.370 16.631 ( 2.365 0.000 -0.166) 2.371 19.020 ( -0.408 0.000 18.395) 18.399 19.020 ( 0.405 0.000 -18.386) 18.390 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -13.069 0.000 23.328) 26.740 1.588 ( 10.026 0.000 -24.507) 26.479 1.595 ( 23.341 0.000 -19.004) 30.099 1.917 ( 0.112 0.000 7.094) 7.095 2.338 ( 1.075 0.000 -11.229) 11.281 2.355 ( -14.099 0.000 -2.752) 14.365 3.007 ( -0.191 0.000 -6.520) 6.523 3.046 ( -5.411 0.000 5.310) 7.581 3.183 ( 0.736 0.000 -1.062) 1.292 3.289 ( -0.995 0.000 8.375) 8.434 3.616 ( -3.623 0.000 -8.388) 9.137 3.853 ( -1.482 0.000 10.623) 10.726 4.343 ( -0.055 0.000 7.250) 7.251 4.353 ( 5.448 0.000 0.096) 5.449 4.821 ( 4.386 0.000 -8.382) 9.460 4.867 ( 0.406 0.000 0.406) 0.574 5.004 ( 0.289 0.000 -13.428) 13.431 5.162 ( 0.614 0.000 2.904) 2.968 5.524 ( -11.507 0.000 8.057) 14.048 5.555 ( -2.374 0.000 -4.250) 4.868 6.340 ( -9.223 0.000 5.110) 10.544 6.460 ( 1.878 0.000 1.633) 2.489 6.959 ( 2.675 0.000 -7.291) 7.767 6.969 ( 1.122 0.000 8.061) 8.139 7.220 ( -6.483 0.000 6.189) 8.963 7.294 ( 10.609 0.000 0.984) 10.655 7.628 ( 6.289 0.000 0.880) 6.351 7.679 ( 6.521 0.000 -0.551) 6.544 8.156 ( -4.075 0.000 -7.629) 8.649 8.371 ( 1.380 0.000 3.421) 3.689 8.971 ( -4.956 0.000 -12.770) 13.699 9.107 ( -5.232 0.000 -3.799) 6.465 9.229 ( 1.769 0.000 -2.426) 3.002 9.413 ( -7.247 0.000 11.658) 13.727 9.527 ( 1.041 0.000 6.467) 6.551 9.615 ( 2.902 0.000 1.604) 3.316 10.000 ( -1.883 0.000 -3.600) 4.063 10.115 ( 2.529 0.000 -0.260) 2.543 10.415 ( 5.437 0.000 -8.295) 9.918 10.494 ( 1.394 0.000 6.116) 6.273 10.935 ( -11.376 0.000 -5.873) 12.803 11.610 ( -7.197 0.000 7.732) 10.563 11.710 ( 8.692 0.000 7.961) 11.787 11.750 ( 3.274 0.000 -8.314) 8.935 12.020 ( -1.376 0.000 -15.589) 15.649 12.326 ( -0.907 0.000 11.395) 11.431 12.857 ( -11.437 0.000 6.532) 13.171 13.127 ( 10.733 0.000 -5.952) 12.273 14.439 ( 19.520 0.000 -18.078) 26.605 14.453 ( -8.582 0.000 21.903) 23.524 14.988 ( -4.469 0.000 -15.912) 16.527 15.520 ( -2.247 0.000 23.226) 23.335 15.684 ( -2.711 0.000 -4.114) 4.927 15.902 ( 2.985 0.000 1.257) 3.239 16.254 ( -0.730 0.000 -6.601) 6.641 16.464 ( 1.240 0.000 7.279) 7.384 16.611 ( 0.480 0.000 -1.640) 1.709 16.727 ( 9.974 0.000 1.535) 10.092 18.790 ( -1.443 0.000 -20.372) 20.423 19.178 ( -3.648 0.000 15.250) 15.680 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -5.086 0.000 15.540) 16.351 1.544 ( 12.948 0.000 -16.568) 21.027 1.602 ( 6.459 0.000 -25.314) 26.125 1.996 ( 17.513 0.000 -9.065) 19.720 2.108 ( -10.679 0.000 1.021) 10.728 2.416 ( 4.550 0.000 11.085) 11.983 2.906 ( -2.647 0.000 -6.843) 7.337 2.998 ( -7.016 0.000 4.194) 8.175 3.134 ( -5.046 0.000 -1.440) 5.248 3.314 ( -5.199 0.000 5.224) 7.370 3.434 ( -7.974 0.000 -7.199) 10.743 3.932 ( -3.596 0.000 10.131) 10.750 4.440 ( 1.391 0.000 5.990) 6.149 4.451 ( 6.352 0.000 -3.710) 7.356 4.773 ( 1.483 0.000 -8.451) 8.580 4.873 ( 4.212 0.000 -4.898) 6.460 4.900 ( 6.473 0.000 -11.045) 12.802 5.199 ( 1.628 0.000 -0.036) 1.628 5.394 ( -15.312 0.000 8.439) 17.484 5.423 ( -6.825 0.000 -5.071) 8.503 6.275 ( -6.176 0.000 7.124) 9.428 6.527 ( 2.115 0.000 3.671) 4.237 6.883 ( 0.613 0.000 -8.097) 8.120 7.053 ( -4.859 0.000 3.416) 5.940 7.166 ( -4.416 0.000 6.893) 8.186 7.523 ( 7.672 0.000 7.447) 10.692 7.770 ( 7.038 0.000 -5.203) 8.753 7.818 ( 10.549 0.000 6.637) 12.463 8.004 ( -1.995 0.000 -6.113) 6.430 8.396 ( -1.867 0.000 1.192) 2.215 8.752 ( -6.686 0.000 -8.837) 11.082 8.998 ( -4.546 0.000 -0.348) 4.560 9.111 ( -6.810 0.000 -10.842) 12.803 9.423 ( -0.694 0.000 8.802) 8.829 9.654 ( 0.213 0.000 9.595) 9.597 9.667 ( 2.185 0.000 -0.042) 2.185 9.965 ( 2.312 0.000 -3.232) 3.974 10.208 ( 5.583 0.000 4.140) 6.951 10.287 ( -2.582 0.000 -15.402) 15.617 10.582 ( 2.175 0.000 4.425) 4.930 10.889 ( 2.276 0.000 7.425) 7.766 11.463 ( -12.306 0.000 2.683) 12.595 11.680 ( 0.025 0.000 -8.257) 8.257 11.823 ( -0.016 0.000 -16.099) 16.099 11.924 ( 3.417 0.000 3.614) 4.974 12.460 ( 2.901 0.000 10.048) 10.458 12.773 ( -7.898 0.000 7.338) 10.780 13.186 ( 4.573 0.000 -6.635) 8.058 14.595 ( -1.460 0.000 17.586) 17.646 14.624 ( 22.225 0.000 -11.460) 25.006 14.779 ( -1.297 0.000 -11.866) 11.937 15.623 ( -0.358 0.000 -1.807) 1.842 15.711 ( -6.951 0.000 22.954) 23.983 15.886 ( -4.987 0.000 0.515) 5.014 16.176 ( 0.251 0.000 -6.565) 6.570 16.521 ( -5.266 0.000 7.648) 9.286 16.620 ( 6.030 0.000 -5.507) 8.166 17.000 ( 17.366 0.000 4.259) 17.880 18.533 ( -0.785 0.000 -20.880) 20.894 19.238 ( -7.434 0.000 11.445) 13.647 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 13.791 0.000 -21.190) 25.283 1.572 ( -0.060 0.000 7.161) 7.161 1.631 ( 12.542 0.000 -4.888) 13.461 2.074 ( -1.035 0.000 8.030) 8.097 2.194 ( 10.369 0.000 -1.876) 10.537 2.632 ( 4.297 0.000 11.317) 12.105 2.782 ( -3.318 0.000 -5.531) 6.450 2.915 ( -6.347 0.000 2.335) 6.763 3.011 ( -7.690 0.000 -0.037) 7.690 3.175 ( -13.135 0.000 -5.665) 14.305 3.278 ( -5.342 0.000 3.561) 6.420 3.947 ( -6.566 0.000 7.218) 9.757 4.418 ( 2.547 0.000 -12.941) 13.190 4.471 ( -0.689 0.000 -2.993) 3.072 4.765 ( 4.762 0.000 -3.726) 6.046 4.921 ( 8.084 0.000 -4.821) 9.412 4.936 ( 9.421 0.000 -7.613) 12.112 5.177 ( -4.758 0.000 -4.946) 6.863 5.226 ( -14.212 0.000 6.452) 15.608 5.258 ( -3.710 0.000 -2.009) 4.219 6.304 ( -2.042 0.000 9.785) 9.996 6.587 ( 0.421 0.000 2.269) 2.308 6.843 ( 3.052 0.000 -3.561) 4.690 6.901 ( -8.987 0.000 -3.831) 9.769 7.212 ( -3.620 0.000 8.172) 8.938 7.554 ( -8.738 0.000 -2.846) 9.190 7.772 ( 5.665 0.000 -6.993) 9.000 8.074 ( 7.590 0.000 9.523) 12.178 8.105 ( 11.535 0.000 6.072) 13.036 8.333 ( -5.174 0.000 -1.703) 5.447 8.555 ( -8.335 0.000 -3.418) 9.008 8.879 ( -7.200 0.000 -5.429) 9.017 8.966 ( -0.419 0.000 2.223) 2.262 9.546 ( 4.391 0.000 3.842) 5.835 9.688 ( 2.917 0.000 -3.401) 4.480 9.728 ( -2.657 0.000 7.016) 7.502 9.987 ( 3.134 0.000 -1.873) 3.650 10.089 ( -2.555 0.000 -10.368) 10.678 10.361 ( 6.838 0.000 4.318) 8.087 10.672 ( 3.788 0.000 3.119) 4.907 11.041 ( 4.544 0.000 6.404) 7.852 11.293 ( -10.768 0.000 1.163) 10.830 11.565 ( -4.285 0.000 -5.488) 6.963 11.708 ( 6.828 0.000 -12.062) 13.860 11.916 ( -4.400 0.000 -1.206) 4.562 12.604 ( 2.608 0.000 4.244) 4.981 12.770 ( -3.105 0.000 8.098) 8.673 13.134 ( -0.889 0.000 -6.485) 6.546 14.653 ( 1.914 0.000 -8.672) 8.881 14.783 ( 3.589 0.000 11.299) 11.855 14.917 ( 21.551 0.000 -4.972) 22.118 15.635 ( 2.091 0.000 1.661) 2.670 15.687 ( -11.695 0.000 2.345) 11.927 15.879 ( -8.530 0.000 15.343) 17.555 16.139 ( 2.280 0.000 -1.570) 2.768 16.484 ( -6.250 0.000 4.126) 7.489 16.674 ( 7.342 0.000 -5.069) 8.922 17.311 ( 11.932 0.000 3.819) 12.528 18.331 ( 5.085 0.000 -18.798) 19.474 19.191 ( -11.178 0.000 7.634) 13.537 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 21.164 0.000 -5.728) 21.926 1.648 ( 2.659 0.000 2.900) 3.935 1.852 ( 18.238 0.000 -2.282) 18.381 2.192 ( 0.071 0.000 11.769) 11.769 2.213 ( -9.725 0.000 2.659) 10.082 2.680 ( -4.001 0.000 -1.983) 4.465 2.709 ( -0.967 0.000 -1.011) 1.399 2.863 ( -17.144 0.000 -3.988) 17.601 2.919 ( -3.685 0.000 1.937) 4.163 2.940 ( 1.522 0.000 6.085) 6.272 3.295 ( 3.048 0.000 5.744) 6.502 3.881 ( -9.172 0.000 4.471) 10.203 4.300 ( 0.700 0.000 -12.315) 12.335 4.347 ( -3.504 0.000 -11.931) 12.435 4.786 ( 5.717 0.000 -8.223) 10.015 4.944 ( -1.264 0.000 -7.304) 7.413 4.994 ( 0.431 0.000 0.879) 0.979 5.049 ( 0.462 0.000 -1.260) 1.342 5.127 ( -0.306 0.000 0.381) 0.489 5.233 ( -1.887 0.000 1.908) 2.683 6.410 ( 0.040 0.000 10.491) 10.491 6.583 ( -2.180 0.000 -0.050) 2.180 6.736 ( -4.424 0.000 -3.508) 5.646 6.886 ( 2.735 0.000 0.275) 2.749 7.215 ( -5.172 0.000 5.795) 7.768 7.323 ( -6.962 0.000 -10.120) 12.283 7.812 ( 6.193 0.000 -2.911) 6.844 8.206 ( -5.509 0.000 -3.310) 6.427 8.227 ( -1.246 0.000 6.480) 6.599 8.300 ( -0.407 0.000 -0.100) 0.419 8.502 ( 5.558 0.000 7.952) 9.702 8.792 ( -3.107 0.000 4.344) 5.341 9.025 ( 2.981 0.000 3.807) 4.835 9.562 ( -2.248 0.000 -6.289) 6.678 9.692 ( 3.121 0.000 -4.465) 5.448 9.730 ( -4.072 0.000 3.989) 5.700 10.000 ( 1.304 0.000 -3.706) 3.929 10.011 ( 1.332 0.000 -0.739) 1.523 10.539 ( 9.276 0.000 4.130) 10.154 10.782 ( 5.771 0.000 2.386) 6.245 11.129 ( -0.565 0.000 0.920) 1.080 11.132 ( -9.127 0.000 -1.026) 9.185 11.473 ( -1.746 0.000 0.775) 1.910 11.785 ( 13.466 0.000 -4.169) 14.097 11.794 ( -6.075 0.000 -3.792) 7.161 12.581 ( -6.619 0.000 -3.321) 7.405 12.839 ( 0.139 0.000 7.798) 7.799 13.056 ( -0.511 0.000 -4.216) 4.247 14.636 ( 4.698 0.000 -3.962) 6.146 14.917 ( 1.377 0.000 2.445) 2.806 15.189 ( 15.638 0.000 -2.903) 15.906 15.522 ( -10.422 0.000 4.125) 11.208 15.721 ( 4.199 0.000 2.632) 4.956 15.846 ( -7.964 0.000 5.034) 9.421 16.223 ( 1.923 0.000 7.920) 8.150 16.432 ( -3.966 0.000 2.447) 4.660 16.754 ( 8.849 0.000 -3.326) 9.454 17.393 ( -3.521 0.000 -2.668) 4.417 18.338 ( 16.291 0.000 -10.820) 19.557 19.046 ( -14.523 0.000 4.598) 15.233 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 10.266 0.000 -0.298) 10.270 1.952 ( 16.357 0.000 4.700) 17.019 1.987 ( -14.474 0.000 -1.389) 14.540 2.134 ( 10.991 0.000 1.256) 11.062 2.251 ( 0.845 0.000 -0.470) 0.967 2.514 ( -19.577 0.000 -1.510) 19.635 2.637 ( -2.459 0.000 6.003) 6.487 2.686 ( -0.156 0.000 -3.573) 3.576 2.935 ( 2.125 0.000 1.501) 2.601 2.977 ( -2.280 0.000 1.895) 2.965 3.507 ( 11.854 0.000 6.228) 13.391 3.745 ( -11.438 0.000 0.428) 11.446 4.160 ( -3.122 0.000 -6.148) 6.896 4.169 ( -0.891 0.000 -8.615) 8.661 4.793 ( 3.600 0.000 -2.988) 4.679 4.843 ( -1.498 0.000 -4.361) 4.611 5.004 ( -0.385 0.000 3.043) 3.067 5.043 ( -1.856 0.000 -0.275) 1.876 5.181 ( 6.209 0.000 -3.412) 7.085 5.222 ( -3.068 0.000 2.826) 4.171 6.493 ( -0.110 0.000 3.644) 3.645 6.533 ( -2.489 0.000 -0.965) 2.670 6.731 ( 3.687 0.000 3.880) 5.353 6.864 ( -4.923 0.000 -2.668) 5.600 7.177 ( 3.059 0.000 -8.479) 9.014 7.185 ( -5.501 0.000 5.122) 7.516 7.922 ( 9.101 0.000 -0.390) 9.109 8.073 ( -7.553 0.000 -1.463) 7.693 8.226 ( -3.163 0.000 2.619) 4.106 8.236 ( -2.003 0.000 -1.611) 2.571 8.728 ( 8.213 0.000 3.868) 9.078 8.810 ( -3.579 0.000 5.139) 6.263 9.152 ( 5.377 0.000 7.542) 9.262 9.370 ( -6.823 0.000 -11.185) 13.102 9.695 ( 2.903 0.000 -3.701) 4.704 9.707 ( -3.287 0.000 3.194) 4.583 10.004 ( 2.276 0.000 -2.272) 3.216 10.014 ( -0.910 0.000 0.787) 1.203 10.753 ( 9.961 0.000 4.816) 11.064 10.914 ( 5.977 0.000 3.373) 6.863 10.959 ( -8.090 0.000 -4.599) 9.306 11.052 ( -6.033 0.000 -2.356) 6.477 11.525 ( 2.237 0.000 5.756) 6.175 11.649 ( -4.706 0.000 -5.544) 7.272 12.035 ( 17.114 0.000 1.871) 17.216 12.346 ( -14.530 0.000 -5.058) 15.385 12.933 ( 1.022 0.000 6.382) 6.463 13.006 ( -0.336 0.000 -4.552) 4.564 14.717 ( 7.061 0.000 0.818) 7.109 14.861 ( -6.028 0.000 -3.244) 6.845 15.364 ( 10.047 0.000 -3.215) 10.549 15.451 ( -7.087 0.000 5.918) 9.233 15.780 ( 1.533 0.000 -1.275) 1.993 15.785 ( -3.506 0.000 2.579) 4.353 16.337 ( 1.076 0.000 6.966) 7.049 16.403 ( -1.169 0.000 -1.489) 1.893 16.924 ( 12.282 0.000 3.117) 12.671 17.194 ( -11.714 0.000 -6.773) 13.531 18.562 ( 19.147 0.000 -4.568) 19.684 18.824 ( -17.326 0.000 3.206) 17.620 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 14.113 -0.750 -23.161) 27.132 1.368 ( -14.115 -0.746 23.164) 27.137 1.924 ( 5.478 11.348 -18.703) 22.552 1.924 ( -5.478 11.347 18.704) 22.553 2.548 ( 2.960 5.137 -5.840) 8.322 2.548 ( -2.961 5.135 5.844) 8.324 2.996 ( -3.025 -6.109 5.723) 8.900 2.997 ( 3.023 -6.111 -5.723) 8.902 3.189 ( 0.418 -0.141 -4.846) 4.866 3.189 ( -0.417 -0.142 4.847) 4.867 3.719 ( -0.821 -2.706 -8.527) 8.984 3.719 ( 0.821 -2.706 8.528) 8.984 4.347 ( 1.514 4.107 -3.433) 5.563 4.347 ( -1.515 4.106 3.434) 5.563 4.848 ( -0.988 -0.319 -3.181) 3.346 4.848 ( 0.989 -0.319 3.181) 3.347 5.112 ( 0.079 0.762 -6.112) 6.159 5.112 ( -0.079 0.760 6.113) 6.161 5.550 ( 4.728 -3.560 -4.454) 7.407 5.550 ( -4.727 -3.560 4.454) 7.406 6.375 ( -0.614 -3.927 -2.061) 4.477 6.375 ( 0.614 -3.927 2.062) 4.478 6.876 ( -5.960 -4.385 -0.573) 7.421 6.876 ( 5.960 -4.386 0.576) 7.422 7.307 ( -3.739 6.557 5.616) 9.408 7.307 ( 3.741 6.552 -5.614) 9.404 7.582 ( -0.181 -1.324 -1.776) 2.223 7.582 ( 0.182 -1.324 1.776) 2.223 8.216 ( -3.050 -6.235 -5.082) 8.602 8.216 ( 3.050 -6.234 5.085) 8.604 9.147 ( 3.401 -2.917 10.441) 11.362 9.147 ( -3.406 -2.912 -10.431) 11.353 9.235 ( -2.349 -1.086 -7.550) 7.981 9.236 ( 2.349 -1.079 7.542) 7.972 9.574 ( -1.308 2.114 -2.064) 3.231 9.574 ( 1.308 2.113 2.066) 3.232 10.141 ( -3.518 4.812 -1.774) 6.219 10.141 ( 3.518 4.813 1.775) 6.220 10.435 ( -3.532 1.919 -9.928) 10.711 10.435 ( 3.530 1.916 9.930) 10.712 11.254 ( -10.956 -2.924 -12.634) 16.977 11.254 ( 10.952 -2.926 12.634) 16.974 11.734 ( 2.210 -1.362 -6.284) 6.799 11.734 ( -2.210 -1.362 6.285) 6.800 12.225 ( -0.410 3.141 -14.621) 14.960 12.225 ( 0.413 3.139 14.623) 14.962 13.016 ( 9.835 2.166 -4.976) 11.233 13.016 ( -9.835 2.166 4.975) 11.233 14.352 ( 13.148 -2.968 -19.997) 24.115 14.352 ( -13.147 -2.969 19.996) 24.115 15.253 ( -3.470 -0.802 -18.886) 19.219 15.254 ( 3.467 -0.803 18.888) 19.221 15.780 ( -6.863 -1.615 -3.701) 7.963 15.780 ( 6.863 -1.616 3.702) 7.963 16.320 ( 2.277 -2.816 -7.481) 8.311 16.320 ( -2.276 -2.816 7.482) 8.312 16.783 ( -0.546 13.275 -3.217) 13.670 16.783 ( 0.547 13.274 3.219) 13.670 18.973 ( -0.139 -4.360 17.968) 18.490 18.973 ( 0.136 -4.362 -17.960) 18.483 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 16.396 -4.681 -21.544) 27.475 1.441 ( -7.303 4.182 20.776) 22.416 1.802 ( 4.896 6.977 -18.312) 20.199 2.081 ( 3.729 12.546 9.685) 16.282 2.333 ( -13.650 0.673 -6.480) 15.125 2.507 ( 1.662 11.671 -10.040) 15.485 2.961 ( -0.102 -5.014 -5.411) 7.378 2.994 ( -5.875 -5.096 6.585) 10.190 3.179 ( 0.372 -1.251 -0.049) 1.306 3.261 ( -0.709 -1.392 6.161) 6.356 3.592 ( -3.589 -2.240 -7.692) 8.778 3.815 ( -1.124 -3.646 8.807) 9.598 4.318 ( -2.186 -0.100 3.647) 4.253 4.418 ( 3.548 4.326 1.562) 5.809 4.793 ( 0.488 -2.461 -6.988) 7.425 4.909 ( 5.702 2.384 -2.374) 6.621 5.020 ( -0.424 2.472 -8.627) 8.984 5.164 ( 1.804 0.555 1.557) 2.447 5.489 ( -10.521 -3.171 7.497) 13.302 5.533 ( -1.655 -2.297 -3.432) 4.449 6.310 ( -6.113 -2.849 2.281) 7.120 6.432 ( 1.871 -2.826 3.114) 4.602 6.816 ( -1.734 -7.113 1.538) 7.481 7.008 ( 5.755 -1.833 2.400) 6.499 7.267 ( -6.566 3.700 5.004) 9.046 7.381 ( 7.317 7.139 -0.331) 10.228 7.607 ( 5.577 -1.590 -0.755) 5.848 7.646 ( 4.920 -3.042 0.552) 5.810 8.088 ( -3.929 -5.855 -5.751) 9.099 8.306 ( 2.022 -6.085 1.851) 6.674 8.941 ( -4.193 -2.186 -12.231) 13.113 9.101 ( -4.446 -0.715 -5.536) 7.137 9.261 ( 1.624 1.692 0.180) 2.352 9.327 ( -5.550 -6.049 11.036) 13.754 9.555 ( 0.449 2.422 3.205) 4.042 9.638 ( 2.083 1.712 1.594) 3.132 10.081 ( -1.475 6.241 0.161) 6.415 10.177 ( 1.013 5.300 -2.903) 6.128 10.339 ( 3.212 -2.799 -3.854) 5.745 10.608 ( 4.718 6.072 4.306) 8.813 10.965 ( -8.505 3.190 -5.438) 10.587 11.490 ( -3.861 -9.231 6.373) 11.863 11.642 ( 0.420 -6.017 2.375) 6.482 11.795 ( 3.719 1.571 -3.039) 5.053 12.053 ( 0.142 4.146 -14.853) 15.422 12.386 ( 0.352 5.206 12.802) 13.824 12.892 ( -10.297 3.183 4.819) 11.806 13.123 ( 8.747 -0.369 -5.586) 10.384 14.408 ( 12.163 -1.606 -6.379) 13.828 14.421 ( 0.222 -3.279 9.700) 10.241 14.988 ( -4.126 0.450 -14.694) 15.269 15.498 ( -2.696 -2.041 19.778) 20.065 15.653 ( -2.876 -1.615 -1.424) 3.593 15.918 ( 4.018 -1.029 1.285) 4.342 16.281 ( 2.865 1.763 -4.940) 5.976 16.422 ( 5.296 -3.917 3.363) 7.396 16.744 ( -0.771 9.674 -1.186) 9.777 16.843 ( 3.129 13.216 3.510) 14.028 18.738 ( -2.258 -4.785 -19.987) 20.675 19.128 ( -3.589 -4.596 14.796) 15.904 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 15.886 -5.310 -19.058) 25.373 1.557 ( -1.398 4.741 8.236) 9.606 1.663 ( 2.069 6.295 -12.153) 13.842 2.061 ( -9.351 0.872 -0.328) 9.397 2.275 ( 9.567 13.133 2.498) 16.439 2.491 ( 4.163 8.380 -0.706) 9.384 2.874 ( -2.806 -3.411 -5.346) 6.934 2.954 ( -6.949 -3.593 5.326) 9.464 3.142 ( -4.253 -0.412 -1.158) 4.427 3.276 ( -5.090 -2.924 4.861) 7.622 3.420 ( -7.523 -1.433 -6.793) 10.236 3.875 ( -3.490 -5.403 8.099) 10.342 4.350 ( 1.546 -4.640 2.092) 5.319 4.479 ( 2.990 0.375 -3.268) 4.446 4.697 ( 0.654 -4.424 -7.463) 8.700 4.924 ( 0.619 3.222 -8.573) 9.179 4.995 ( 8.686 6.510 -4.108) 11.607 5.215 ( 2.678 1.334 0.240) 3.002 5.374 ( -13.731 -1.617 7.756) 15.853 5.424 ( -5.556 -0.231 -4.993) 7.473 6.249 ( -4.801 -2.343 4.097) 6.733 6.508 ( 2.320 -2.283 3.631) 4.876 6.804 ( -0.058 -5.595 -1.541) 5.804 7.105 ( -0.694 2.748 2.854) 4.023 7.180 ( -6.157 0.795 3.104) 6.941 7.533 ( 3.635 0.739 6.041) 7.088 7.683 ( 5.859 -5.627 -5.805) 9.984 7.759 ( 3.916 -6.262 5.343) 9.116 8.015 ( 4.812 0.432 -2.969) 5.671 8.308 ( -2.788 -7.560 -0.410) 8.068 8.758 ( -3.616 0.352 -8.579) 9.317 8.971 ( -4.525 -0.933 -4.826) 6.681 9.159 ( -7.895 2.969 -5.331) 9.978 9.380 ( 0.338 -4.252 8.885) 9.856 9.643 ( 1.814 -1.798 4.201) 4.917 9.674 ( 2.060 3.332 1.342) 4.141 10.080 ( 1.450 8.330 -0.961) 8.509 10.217 ( 4.443 1.032 1.754) 4.887 10.338 ( 1.863 5.192 -7.803) 9.556 10.631 ( -1.767 3.290 1.565) 4.049 10.952 ( 3.357 5.111 6.486) 8.914 11.356 ( -10.205 -8.064 0.506) 13.017 11.651 ( -3.000 -7.875 -4.035) 9.344 11.842 ( 2.896 2.068 -1.265) 3.777 11.923 ( 2.216 3.893 -9.591) 10.585 12.522 ( 1.114 5.310 8.632) 10.196 12.803 ( -6.740 2.468 5.248) 8.892 13.163 ( 3.627 -2.062 -5.908) 7.233 14.536 ( 2.101 -5.034 3.707) 6.595 14.607 ( 17.412 -0.189 -2.462) 17.587 14.839 ( 2.369 5.180 -5.396) 7.846 15.531 ( -3.435 -4.717 2.450) 6.329 15.731 ( -3.364 -0.289 16.029) 16.380 15.923 ( -3.416 0.668 1.100) 3.650 16.257 ( 1.420 6.566 -6.742) 9.518 16.545 ( 4.968 -2.051 2.447) 5.906 16.712 ( -3.352 10.942 0.196) 11.445 17.027 ( 13.557 4.369 4.891) 15.060 18.465 ( -2.337 -6.333 -20.814) 21.881 19.183 ( -7.531 -5.144 11.031) 14.313 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 16.736 -1.446 -17.333) 24.137 1.575 ( 8.606 1.569 -7.169) 11.310 1.690 ( -1.646 7.193 11.012) 13.256 2.036 ( -1.569 -0.299 8.675) 8.821 2.436 ( 7.293 15.545 -1.498) 17.236 2.603 ( 3.440 -1.363 7.436) 8.306 2.763 ( -3.446 -2.017 -4.349) 5.904 2.891 ( -6.154 -1.571 3.129) 7.080 3.037 ( -6.057 1.223 -0.684) 6.217 3.176 ( -11.689 -0.035 -3.394) 12.172 3.243 ( -5.399 -2.886 2.327) 6.549 3.872 ( -6.303 -6.921 5.622) 10.919 4.380 ( 3.769 -4.004 -8.588) 10.198 4.409 ( -0.435 -3.870 -6.728) 7.774 4.728 ( 6.150 -4.098 -0.893) 7.444 4.835 ( 1.545 -0.289 -9.439) 9.569 5.085 ( 5.739 5.071 -3.462) 8.405 5.215 ( -3.508 4.269 -5.772) 7.991 5.223 ( -11.350 -0.473 4.730) 12.305 5.281 ( -2.963 1.703 -0.757) 3.500 6.254 ( -1.594 -3.813 6.032) 7.312 6.576 ( 1.593 -1.586 2.323) 3.233 6.808 ( 2.904 -2.243 -0.853) 3.768 6.975 ( -7.852 5.275 -4.092) 10.307 7.208 ( -2.099 -1.624 5.156) 5.799 7.496 ( -9.555 -3.474 -1.418) 10.266 7.692 ( 3.245 -6.083 -4.821) 8.413 7.910 ( 4.333 -11.180 8.609) 14.760 8.166 ( 4.998 -3.111 1.968) 6.207 8.252 ( 1.587 -1.595 1.109) 2.508 8.631 ( -3.186 4.362 -3.886) 6.654 8.823 ( -4.543 -1.656 -7.327) 8.778 9.030 ( -4.101 3.748 3.389) 6.507 9.513 ( 4.497 -3.524 4.919) 7.539 9.671 ( 1.710 -1.054 -0.144) 2.014 9.757 ( 1.632 4.111 3.706) 5.770 10.097 ( 1.782 7.805 -1.557) 8.155 10.192 ( -1.526 8.250 -10.225) 13.227 10.353 ( 4.305 0.612 3.081) 5.329 10.682 ( 3.190 0.371 4.261) 5.336 11.086 ( 3.186 2.632 3.900) 5.682 11.214 ( -8.511 -5.697 2.237) 10.483 11.530 ( -3.352 -4.573 -4.905) 7.497 11.830 ( 5.761 11.522 -8.028) 15.179 11.888 ( -2.708 -2.576 -0.526) 3.775 12.596 ( -0.778 0.551 3.229) 3.367 12.798 ( -1.429 1.314 5.062) 5.421 13.112 ( -1.261 -1.845 -5.689) 6.112 14.543 ( 2.320 -5.614 -4.802) 7.744 14.885 ( 11.555 3.584 6.116) 13.556 14.978 ( 15.861 7.615 -0.500) 17.601 15.519 ( -1.711 -5.034 2.183) 5.748 15.739 ( -6.995 1.198 2.107) 7.403 15.937 ( -5.308 2.098 14.039) 15.155 16.205 ( 1.489 5.523 -4.397) 7.215 16.625 ( -8.371 12.732 3.649) 15.668 16.646 ( 6.702 -2.185 -3.334) 7.798 17.316 ( 11.613 0.951 4.155) 12.371 18.231 ( 3.136 -9.342 -19.015) 21.417 19.129 ( -11.343 -5.823 7.204) 14.645 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 11.101 -2.816 -3.787) 12.062 1.668 ( 14.278 4.538 -1.933) 15.106 1.833 ( 7.663 1.686 3.127) 8.446 2.131 ( -4.195 -0.253 14.736) 15.324 2.439 ( -4.864 11.178 -0.318) 12.195 2.672 ( -0.143 0.909 -2.088) 2.282 2.712 ( -0.427 -0.516 0.784) 1.031 2.823 ( -7.872 -3.146 1.695) 8.645 2.917 ( -8.095 2.267 -0.728) 8.438 2.996 ( -3.334 2.691 1.691) 4.606 3.267 ( 3.668 -2.390 5.711) 7.197 3.800 ( -8.505 -7.176 3.804) 11.760 4.284 ( 1.352 -1.415 -11.629) 11.792 4.322 ( -1.712 -2.222 -10.694) 11.055 4.737 ( 2.531 -3.064 -7.731) 8.693 4.849 ( 6.107 -5.521 -2.852) 8.713 5.007 ( -6.749 -0.745 -2.079) 7.101 5.088 ( -5.007 0.982 -0.351) 5.115 5.184 ( 2.823 4.711 -3.440) 6.480 5.263 ( -2.555 2.255 2.773) 4.393 6.326 ( 1.218 -5.405 6.919) 8.864 6.609 ( -0.251 0.203 1.290) 1.329 6.792 ( -4.428 4.572 -4.083) 7.562 6.896 ( 3.344 0.893 0.017) 3.461 7.177 ( -2.857 -5.173 -3.401) 6.818 7.317 ( -8.991 2.005 0.848) 9.250 7.691 ( 2.894 -9.071 -3.029) 9.991 7.961 ( -6.930 -14.811 2.776) 16.586 8.214 ( 2.290 -5.360 5.640) 8.111 8.381 ( 5.040 1.231 -0.043) 5.189 8.574 ( -1.838 7.064 1.994) 7.566 8.718 ( -0.350 -4.281 -3.159) 5.332 9.088 ( 2.436 5.435 8.120) 10.070 9.576 ( 0.581 0.204 -2.364) 2.443 9.706 ( 1.303 2.734 -0.139) 3.031 9.787 ( -1.121 4.102 1.728) 4.590 10.080 ( 0.679 8.154 -6.335) 10.348 10.100 ( 0.242 5.659 -0.852) 5.728 10.472 ( 7.055 -4.340 2.127) 8.551 10.806 ( 6.092 1.475 3.341) 7.103 11.033 ( -7.775 -6.734 -2.802) 10.661 11.167 ( -3.844 0.671 2.232) 4.495 11.483 ( 0.545 0.659 1.627) 1.838 11.801 ( -4.718 0.351 -2.957) 5.579 11.912 ( 11.471 11.363 -2.611) 16.356 12.559 ( -5.246 -0.924 -1.640) 5.574 12.840 ( 0.110 -0.957 3.836) 3.955 13.022 ( -2.204 -2.695 -4.072) 5.357 14.570 ( 5.700 -2.690 -1.164) 6.409 15.054 ( 2.090 8.451 -0.262) 8.709 15.246 ( 15.291 6.318 -0.841) 16.566 15.478 ( -5.932 -2.393 4.351) 7.736 15.720 ( 2.944 1.515 2.082) 3.911 15.972 ( -6.314 5.426 8.992) 12.254 16.241 ( 2.994 2.019 3.170) 4.805 16.498 ( -7.473 7.634 -0.345) 10.688 16.740 ( 7.011 -0.921 -0.336) 7.079 17.386 ( -4.282 -0.448 -3.977) 5.861 18.225 ( 16.226 -10.626 -9.618) 21.650 18.976 ( -14.684 -6.586 4.038) 16.592 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 7.329 -3.776 -0.728) 8.277 1.848 ( -4.136 -7.154 -1.329) 8.369 2.013 ( 14.337 5.532 5.715) 16.396 2.213 ( -2.500 4.340 4.932) 7.029 2.368 ( 2.641 6.620 -3.356) 7.878 2.545 ( -13.354 0.839 -1.808) 13.502 2.691 ( -1.774 5.364 3.396) 6.592 2.720 ( -1.399 5.051 -0.530) 5.268 2.917 ( 2.209 -1.504 2.197) 3.459 2.970 ( -2.737 -0.650 0.723) 2.905 3.468 ( 10.926 -3.279 5.133) 12.509 3.677 ( -10.400 -5.864 0.929) 11.976 4.159 ( -2.667 -0.125 -5.425) 6.047 4.171 ( -0.615 -0.004 -8.624) 8.646 4.740 ( 4.488 -3.525 -1.359) 5.866 4.828 ( -2.286 -1.816 -5.076) 5.856 4.972 ( 0.929 -2.938 2.162) 3.764 5.020 ( -2.548 -2.183 -1.014) 3.505 5.200 ( 3.574 1.295 -2.210) 4.397 5.242 ( -3.885 1.017 2.490) 4.725 6.438 ( 3.701 -3.723 5.323) 7.476 6.559 ( -4.917 0.052 -2.582) 5.554 6.758 ( 3.146 2.902 1.553) 4.553 6.871 ( -4.824 1.123 -3.422) 6.020 7.142 ( 6.144 -2.006 -4.482) 7.865 7.219 ( -7.505 2.513 3.590) 8.690 7.738 ( 5.760 -12.157 -1.134) 13.500 7.845 ( -7.906 -14.045 0.655) 16.130 8.308 ( 1.757 1.425 4.649) 5.170 8.381 ( -1.301 1.995 -3.217) 4.002 8.625 ( 0.698 -2.029 6.658) 6.995 8.693 ( 0.911 -6.844 -4.770) 8.392 9.263 ( 5.328 8.138 10.223) 14.111 9.465 ( -4.904 6.820 -9.138) 12.412 9.731 ( 1.454 3.910 1.631) 4.480 9.773 ( -1.598 4.442 -0.511) 4.748 10.062 ( 2.051 5.551 -2.000) 6.247 10.084 ( -1.134 5.257 -0.564) 5.407 10.643 ( 9.265 -7.931 3.948) 12.819 10.847 ( -9.074 -8.304 -4.628) 13.142 10.949 ( 6.832 1.964 2.645) 7.585 11.082 ( -6.433 1.167 -1.082) 6.627 11.559 ( 2.994 2.658 5.119) 6.498 11.679 ( -4.569 2.256 -4.612) 6.873 12.130 ( 14.325 8.545 1.798) 16.776 12.384 ( -11.426 3.686 -3.886) 12.619 12.892 ( 0.977 -3.916 3.729) 5.495 12.952 ( -1.440 -4.689 -3.426) 5.984 14.709 ( 9.136 1.165 3.770) 9.951 14.929 ( -8.933 5.204 -6.511) 12.218 15.431 ( 8.598 5.466 -2.067) 10.396 15.481 ( -3.168 2.144 5.601) 6.783 15.817 ( 6.949 5.967 -0.089) 9.160 15.932 ( -7.823 9.798 3.501) 13.018 16.333 ( 2.166 -0.105 4.254) 4.775 16.401 ( -3.116 0.797 -1.305) 3.471 16.900 ( 10.605 -2.035 4.144) 11.566 17.165 ( -11.424 -2.664 -8.047) 14.225 18.467 ( 19.295 -8.821 -3.208) 21.457 18.744 ( -17.454 -7.511 2.337) 19.145 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 5.500 11.088 -15.957) 20.194 1.486 ( -5.502 11.088 15.962) 20.199 2.142 ( -0.401 9.085 -13.816) 16.540 2.142 ( 0.401 9.084 13.816) 16.540 2.634 ( -7.994 0.195 -7.252) 10.795 2.634 ( 7.991 0.191 7.256) 10.795 2.832 ( 2.753 -6.435 -3.020) 7.623 2.832 ( -2.752 -6.433 3.019) 7.620 3.181 ( -0.181 -1.347 -2.791) 3.104 3.181 ( 0.182 -1.346 2.791) 3.104 3.627 ( -1.453 -6.076 -6.645) 9.120 3.627 ( 1.453 -6.076 6.645) 9.120 4.469 ( -2.096 6.974 -1.839) 7.511 4.469 ( 2.095 6.974 1.839) 7.510 4.859 ( -2.743 2.477 -4.745) 6.015 4.859 ( 2.743 2.476 4.747) 6.016 5.156 ( -1.283 3.244 -2.375) 4.220 5.156 ( 1.285 3.242 2.376) 4.220 5.452 ( 0.932 -5.196 -1.465) 5.479 5.452 ( -0.931 -5.197 1.466) 5.479 6.271 ( -2.696 -5.860 -1.117) 6.547 6.271 ( 2.695 -5.860 1.118) 6.547 6.772 ( -8.056 -5.144 0.765) 9.589 6.772 ( 8.057 -5.145 -0.761) 9.589 7.428 ( -1.591 3.792 -2.303) 4.714 7.428 ( 1.591 3.796 2.304) 4.717 7.566 ( 0.461 0.443 -0.426) 0.768 7.566 ( -0.461 0.444 0.426) 0.769 8.043 ( -3.164 -9.767 -3.829) 10.957 8.043 ( 3.166 -9.765 3.832) 10.957 9.059 ( 1.416 -3.948 7.433) 8.535 9.059 ( -1.419 -3.949 -7.428) 8.531 9.229 ( -2.339 -0.342 -6.714) 7.118 9.229 ( 2.338 -0.342 6.711) 7.115 9.608 ( -0.750 0.589 -3.225) 3.363 9.608 ( 0.750 0.589 3.226) 3.364 10.245 ( -3.600 4.630 -0.910) 5.935 10.245 ( 3.600 4.630 0.910) 5.934 10.488 ( -6.136 2.688 -11.055) 12.927 10.489 ( 6.135 2.687 11.057) 12.928 11.193 ( -4.145 -1.998 -7.677) 8.951 11.194 ( 4.142 -2.002 7.679) 8.952 11.671 ( -9.633 -4.575 0.989) 10.710 11.671 ( 9.633 -4.573 -0.989) 10.709 12.348 ( -1.140 8.193 -13.347) 15.703 12.348 ( 1.142 8.190 13.350) 15.703 13.074 ( 4.369 3.134 -3.246) 6.281 13.074 ( -4.369 3.133 3.246) 6.280 14.298 ( 9.737 -1.666 -15.345) 18.250 14.298 ( -9.737 -1.667 15.344) 18.250 15.240 ( -2.666 -0.234 -15.054) 15.290 15.240 ( 2.663 -0.236 15.055) 15.291 15.708 ( -4.317 -5.418 -4.293) 8.150 15.708 ( 4.317 -5.419 4.294) 8.151 16.257 ( 4.452 -2.750 -6.896) 8.657 16.257 ( -4.450 -2.750 6.897) 8.657 17.120 ( -2.497 17.107 -6.320) 18.407 17.120 ( 2.497 17.107 6.325) 18.409 18.848 ( 0.519 -7.046 16.396) 17.854 18.848 ( -0.522 -7.050 -16.390) 17.850 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 8.780 9.241 -15.022) 19.701 1.600 ( -0.391 10.408 11.500) 15.516 1.955 ( -2.821 8.092 -10.763) 13.758 2.306 ( -1.488 5.570 2.408) 6.248 2.371 ( -8.011 4.718 -1.535) 9.423 2.749 ( 3.243 7.391 -5.808) 9.944 2.820 ( -1.120 -8.585 1.601) 8.804 2.830 ( -2.533 -6.654 5.029) 8.717 3.129 ( -3.085 -2.732 0.956) 4.230 3.235 ( 0.766 -2.270 0.999) 2.596 3.510 ( -3.530 -5.759 -6.575) 9.426 3.701 ( -0.898 -6.948 5.282) 8.774 4.354 ( -7.154 3.842 1.345) 8.230 4.521 ( 1.106 5.216 -1.544) 5.551 4.751 ( -1.383 -0.342 -8.826) 8.941 4.986 ( 7.508 5.099 1.228) 9.159 5.100 ( -1.142 4.677 -4.105) 6.327 5.196 ( 3.668 2.376 -1.633) 4.665 5.398 ( -7.331 -5.197 5.999) 10.805 5.471 ( -0.158 -3.087 -1.343) 3.370 6.225 ( -2.687 -4.991 0.178) 5.671 6.347 ( 3.878 -5.203 1.945) 6.775 6.693 ( -4.768 -4.309 4.559) 7.880 6.915 ( 6.652 -6.143 3.773) 9.809 7.338 ( -6.403 2.615 2.764) 7.448 7.513 ( 0.428 2.085 -1.891) 2.847 7.559 ( 3.582 -2.131 1.767) 4.527 7.608 ( 3.574 1.377 -1.550) 4.132 7.940 ( -1.370 -7.568 -2.586) 8.114 8.135 ( 3.609 -9.252 -0.776) 9.961 8.902 ( -2.119 -1.233 -10.785) 11.060 9.060 ( -3.299 -3.578 -4.866) 6.882 9.205 ( -1.886 -2.588 8.258) 8.857 9.305 ( -0.154 0.458 0.759) 0.900 9.581 ( 0.359 -0.213 -0.695) 0.810 9.672 ( 2.002 0.808 3.136) 3.807 10.220 ( -0.117 6.510 3.111) 7.216 10.292 ( -2.716 4.305 -7.391) 8.974 10.346 ( 5.461 4.089 2.181) 7.163 10.694 ( 5.009 1.438 5.090) 7.284 11.051 ( -4.052 4.194 -2.794) 6.466 11.304 ( -3.680 -6.284 5.509) 9.131 11.478 ( -6.400 -8.780 -3.416) 11.389 11.772 ( 4.074 -3.797 -2.505) 6.106 12.219 ( 1.696 11.059 -10.540) 15.371 12.534 ( 2.269 8.064 12.866) 15.353 12.966 ( -8.740 3.281 1.197) 9.412 13.118 ( 3.729 0.188 -4.143) 5.577 14.347 ( 10.049 -2.832 -5.966) 12.024 14.390 ( 4.084 -0.160 8.599) 9.520 15.026 ( -2.078 3.450 -11.064) 11.774 15.448 ( -1.112 -2.416 13.043) 13.312 15.611 ( -2.039 -2.816 1.478) 3.778 15.837 ( 4.603 -6.420 1.581) 8.056 16.300 ( 8.826 -0.384 -2.851) 9.283 16.326 ( 4.301 -4.346 3.495) 7.043 16.987 ( -5.005 13.790 -5.108) 15.534 17.212 ( 0.421 18.313 5.576) 19.148 18.610 ( -4.371 -6.618 -18.415) 20.050 18.991 ( -3.669 -8.227 13.349) 16.104 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 8.991 6.695 -11.660) 16.174 1.660 ( 3.367 5.157 -6.397) 8.880 1.873 ( -3.351 12.594 4.875) 13.914 2.077 ( -8.659 0.895 -1.124) 8.778 2.476 ( 0.499 6.710 8.493) 10.835 2.720 ( 3.357 3.554 -5.573) 7.413 2.784 ( -0.232 0.345 -3.918) 3.940 2.867 ( -4.260 -3.252 8.798) 10.302 3.078 ( -3.623 -5.021 -0.456) 6.209 3.218 ( -4.200 -2.912 1.182) 5.246 3.364 ( -6.054 -4.088 -5.383) 9.074 3.716 ( -3.429 -9.183 3.794) 10.511 4.286 ( -1.986 -0.634 0.162) 2.091 4.477 ( -0.625 -0.365 -7.990) 8.023 4.641 ( -0.139 0.349 -4.701) 4.716 5.001 ( -2.328 3.967 -6.951) 8.334 5.114 ( 6.055 3.980 -1.176) 7.341 5.243 ( 1.510 0.058 0.107) 1.515 5.342 ( -7.424 -0.504 6.423) 9.829 5.414 ( -2.221 -0.543 -5.007) 5.504 6.183 ( -2.610 -3.586 0.885) 4.522 6.430 ( 4.175 -4.995 1.007) 6.587 6.704 ( -0.415 -3.059 4.165) 5.184 7.058 ( 2.783 -6.260 5.834) 8.998 7.238 ( -6.408 3.965 -1.801) 7.748 7.522 ( -0.081 -3.046 1.401) 3.354 7.586 ( -1.892 -7.542 2.872) 8.289 7.616 ( -0.930 -1.459 -1.326) 2.180 8.010 ( 10.686 -0.845 -1.137) 10.780 8.131 ( -1.052 -8.028 -2.398) 8.444 8.767 ( -0.937 0.904 -7.697) 7.806 8.970 ( -0.522 0.134 -6.374) 6.397 9.189 ( -7.976 -0.039 0.848) 8.021 9.308 ( 2.038 -1.783 4.206) 5.003 9.593 ( 0.676 -2.110 0.861) 2.378 9.750 ( 3.350 1.747 3.343) 5.045 10.249 ( 2.231 7.280 -1.329) 7.729 10.296 ( 2.902 6.833 3.683) 8.287 10.460 ( 6.054 5.124 0.120) 7.933 10.691 ( -5.211 2.014 -2.735) 6.220 11.054 ( 1.973 2.692 3.316) 4.705 11.181 ( -9.251 -6.877 1.510) 11.625 11.434 ( -1.080 -9.706 -0.260) 9.770 11.794 ( 2.091 -4.617 -1.200) 5.209 12.154 ( 2.926 14.366 -8.240) 16.818 12.669 ( -0.879 8.029 7.035) 10.711 12.839 ( -6.537 0.325 0.484) 6.563 13.114 ( 1.310 -2.316 -3.889) 4.712 14.440 ( 6.335 -2.923 -3.736) 7.914 14.617 ( 12.890 0.675 6.262) 14.346 14.980 ( 6.989 8.180 -2.379) 11.019 15.474 ( -1.510 -0.668 1.627) 2.318 15.682 ( -2.114 -4.319 10.096) 11.183 15.891 ( 0.547 -3.214 2.797) 4.296 16.383 ( 8.097 2.730 -8.727) 12.213 16.496 ( 6.232 -1.145 5.615) 8.467 16.882 ( -2.451 6.224 0.141) 6.691 17.275 ( 1.186 16.346 5.002) 17.135 18.300 ( -6.620 -7.892 -19.931) 22.436 19.025 ( -8.019 -9.660 9.831) 15.946 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 10.355 5.072 -6.322) 13.150 1.660 ( 7.147 5.570 -5.729) 10.720 1.881 ( -4.438 9.649 10.701) 15.076 2.052 ( -2.104 1.488 6.161) 6.678 2.542 ( -2.345 -1.319 6.168) 6.729 2.692 ( -2.625 -4.108 -0.763) 4.934 2.782 ( 4.772 11.589 -3.191) 12.933 2.860 ( -5.900 -1.057 2.118) 6.357 3.041 ( -0.603 -0.359 2.506) 2.603 3.138 ( -7.194 -3.887 2.576) 8.573 3.195 ( -6.725 -1.326 -3.951) 7.912 3.678 ( -5.227 -10.717 2.562) 12.196 4.284 ( 3.094 -3.239 -3.328) 5.580 4.352 ( 0.870 -1.979 -11.919) 12.113 4.651 ( 3.071 -1.880 -0.083) 3.602 4.865 ( -3.061 2.585 -8.819) 9.686 5.125 ( -2.989 -0.419 -3.007) 4.261 5.190 ( -8.302 -2.714 1.919) 8.943 5.314 ( 0.288 2.096 -7.588) 7.878 5.327 ( -2.784 2.902 3.464) 5.308 6.176 ( -0.238 -3.120 2.382) 3.932 6.507 ( 4.315 -5.174 0.007) 6.737 6.775 ( 4.976 -0.305 2.301) 5.491 7.025 ( -5.811 -2.671 -5.268) 8.286 7.179 ( -2.447 2.255 1.980) 3.873 7.464 ( -7.407 -0.647 2.548) 7.860 7.561 ( -1.213 -6.275 -3.327) 7.205 7.659 ( -0.370 -10.528 8.157) 13.323 8.022 ( -2.942 -6.778 -2.283) 7.734 8.220 ( 9.544 -4.358 -1.105) 10.550 8.714 ( 1.685 4.385 -3.493) 5.854 8.856 ( -2.741 3.525 -8.623) 9.711 9.111 ( -2.247 4.126 4.793) 6.711 9.445 ( 5.900 -2.848 6.022) 8.898 9.631 ( 2.023 -1.612 2.790) 3.804 9.853 ( 3.899 2.134 3.304) 5.539 10.252 ( -0.902 7.206 -2.981) 7.850 10.353 ( 2.379 6.493 -3.840) 7.909 10.451 ( -2.595 7.604 -4.290) 9.108 10.682 ( 4.151 -0.035 5.771) 7.108 11.020 ( -7.377 -7.735 -0.012) 10.689 11.152 ( -0.898 -2.174 3.155) 3.935 11.433 ( 1.935 -2.192 0.875) 3.052 11.811 ( -0.386 -4.385 0.957) 4.505 12.135 ( 4.600 15.715 -5.249) 17.195 12.644 ( -4.943 3.241 0.142) 5.912 12.794 ( -1.314 -1.371 0.911) 2.107 13.068 ( -1.677 -2.319 -4.028) 4.941 14.487 ( 4.848 0.921 -1.818) 5.259 14.932 ( 14.897 1.275 6.936) 16.482 15.170 ( 12.878 8.594 3.148) 15.799 15.493 ( 2.595 3.103 -0.093) 4.046 15.697 ( -4.232 -4.880 3.888) 7.540 15.955 ( -0.832 -0.012 7.921) 7.964 16.348 ( 2.356 7.524 -10.721) 13.308 16.609 ( 3.224 -0.299 2.799) 4.280 16.882 ( -5.093 7.370 5.234) 10.376 17.406 ( 7.083 8.760 5.000) 12.325 17.970 ( -3.967 -13.564 -20.195) 24.648 18.950 ( -11.939 -11.087 6.098) 17.397 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 5.017 -1.219 -2.927) 5.935 1.811 ( 9.230 8.047 0.712) 12.266 1.922 ( 0.387 5.232 5.044) 7.278 2.144 ( -0.381 1.001 15.327) 15.364 2.495 ( -5.200 -4.027 -0.430) 6.591 2.678 ( -3.688 -3.011 -4.451) 6.517 2.766 ( -1.144 -1.369 4.802) 5.123 2.824 ( 1.215 10.249 0.875) 10.357 2.998 ( -6.513 3.878 -0.130) 7.581 3.027 ( -6.181 0.203 0.608) 6.214 3.225 ( 6.551 -0.387 5.374) 8.482 3.612 ( -6.507 -9.801 3.291) 12.216 4.252 ( 2.877 -1.339 -11.741) 12.163 4.269 ( 1.386 -2.305 -8.516) 8.931 4.683 ( 1.328 -3.101 -5.244) 6.235 4.756 ( 2.067 -1.120 -2.655) 3.546 4.987 ( -7.270 -1.178 -2.267) 7.706 5.063 ( -6.394 -3.153 -2.367) 7.512 5.245 ( -1.763 0.190 -3.282) 3.730 5.296 ( -4.746 0.018 2.178) 5.222 6.234 ( 2.776 -2.932 4.379) 5.957 6.557 ( 1.945 -5.313 -1.765) 5.926 6.868 ( -2.250 1.576 -4.134) 4.964 6.928 ( 8.647 2.202 -0.258) 8.927 7.098 ( -6.016 0.312 -2.964) 6.714 7.378 ( -7.886 2.252 4.179) 9.204 7.509 ( 0.474 -6.890 -3.664) 7.818 7.675 ( -7.230 -11.398 4.871) 14.349 8.021 ( 0.635 -9.811 6.351) 11.705 8.294 ( 4.199 -9.510 -5.983) 11.995 8.710 ( 1.699 6.146 -3.050) 7.069 8.744 ( -1.667 5.037 -2.871) 6.033 9.231 ( 5.939 7.759 8.744) 13.112 9.585 ( 3.852 0.627 3.243) 5.074 9.731 ( 3.911 0.357 5.035) 6.386 9.912 ( -0.520 4.995 -0.294) 5.030 10.174 ( -1.681 1.368 -2.015) 2.960 10.270 ( -1.177 7.568 -7.742) 10.891 10.436 ( 2.277 1.989 -1.392) 3.328 10.826 ( 2.187 -2.612 1.009) 3.553 10.878 ( -4.989 -3.761 0.856) 6.306 11.147 ( -2.974 -2.324 1.852) 4.204 11.513 ( 3.719 2.474 3.675) 5.784 11.792 ( -2.499 -1.312 -0.279) 2.836 12.202 ( 7.708 14.386 -0.888) 16.345 12.568 ( -3.544 1.471 -0.862) 3.932 12.777 ( -0.587 -4.511 -0.990) 4.655 12.966 ( -4.544 -2.443 -4.454) 6.815 14.594 ( 7.562 5.331 3.163) 9.778 15.174 ( 5.621 3.161 -1.096) 6.542 15.402 ( 6.735 3.210 7.763) 10.767 15.503 ( 0.886 6.256 -2.586) 6.827 15.767 ( 9.667 3.704 4.129) 11.145 16.007 ( -2.145 -0.073 5.993) 6.366 16.304 ( 3.448 4.031 -3.896) 6.582 16.667 ( 1.266 2.392 -2.667) 3.799 16.805 ( -9.775 10.074 7.718) 16.019 17.401 ( -9.033 3.135 -8.894) 13.058 17.910 ( 16.872 -18.319 -5.239) 25.450 18.774 ( -15.167 -12.412 2.702) 19.784 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 6.277 -4.395 -2.037) 7.929 1.744 ( -9.844 -3.309 1.050) 10.438 2.171 ( 12.469 8.959 6.431) 16.647 2.309 ( 2.142 3.350 6.769) 7.850 2.419 ( -2.196 0.166 -3.073) 3.781 2.502 ( -8.430 -4.455 -2.791) 9.934 2.843 ( 1.836 3.513 2.035) 4.456 2.874 ( 3.157 6.990 1.122) 7.751 2.907 ( -3.746 2.931 1.342) 4.942 2.958 ( -3.683 1.173 0.167) 3.869 3.405 ( 8.598 -1.459 2.687) 9.126 3.539 ( -7.670 -6.029 3.382) 10.326 4.152 ( -1.798 -0.521 -4.873) 5.221 4.166 ( 0.339 -0.461 -8.848) 8.867 4.684 ( 5.044 -1.435 -0.660) 5.286 4.779 ( -0.442 -2.254 -3.333) 4.048 4.893 ( -1.736 -3.912 1.052) 4.407 4.941 ( -4.274 -5.601 -1.833) 7.280 5.201 ( 1.110 -1.929 -2.420) 3.287 5.232 ( -5.470 -2.227 2.535) 6.427 6.358 ( 4.656 -3.350 6.070) 8.351 6.500 ( -3.388 -4.879 -5.723) 8.248 6.839 ( 2.233 3.922 0.940) 4.610 6.938 ( -5.465 4.533 -3.953) 8.127 7.117 ( 11.657 0.289 -1.513) 11.758 7.275 ( -10.139 2.310 3.246) 10.894 7.511 ( 4.130 -8.168 -2.473) 9.481 7.583 ( -7.470 -9.788 2.487) 12.562 8.134 ( 0.470 -12.317 10.108) 15.940 8.243 ( 0.923 -12.080 -9.308) 15.278 8.708 ( 2.670 6.028 -3.039) 7.260 8.721 ( -1.847 6.270 1.722) 6.760 9.443 ( 6.873 8.609 8.329) 13.810 9.606 ( -2.574 6.226 -3.951) 7.810 9.825 ( 1.857 4.154 2.789) 5.337 9.868 ( -1.650 4.458 -0.203) 4.758 10.170 ( -0.035 1.100 0.422) 1.179 10.185 ( -0.154 4.241 -4.103) 5.903 10.496 ( 6.499 -4.351 0.803) 7.862 10.661 ( -9.219 -8.161 -3.854) 12.902 10.991 ( 5.731 2.289 2.773) 6.766 11.094 ( -4.647 0.266 -0.171) 4.658 11.621 ( 3.828 3.178 4.125) 6.462 11.723 ( -3.670 1.782 -2.581) 4.827 12.350 ( 8.437 10.906 1.929) 13.923 12.489 ( -5.191 5.526 -1.739) 7.778 12.773 ( 1.560 -6.871 0.022) 7.046 12.842 ( -4.561 -4.913 -2.952) 7.325 14.802 ( 9.979 7.447 7.298) 14.433 15.057 ( -8.605 6.431 -8.540) 13.723 15.522 ( 1.770 2.112 2.917) 4.013 15.546 ( 1.531 4.616 0.771) 4.924 16.001 ( 12.944 8.825 -1.804) 15.770 16.059 ( -1.857 0.629 7.711) 7.956 16.358 ( 4.828 3.517 1.204) 6.093 16.520 ( -10.485 10.710 -3.532) 15.399 16.861 ( 4.080 -0.693 8.047) 9.049 17.096 ( -10.086 -2.947 -11.867) 15.851 18.208 ( 19.363 -15.048 0.339) 24.525 18.518 ( -17.667 -13.655 0.270) 22.330 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.278 13.385 -8.362) 15.785 1.762 ( -0.279 13.383 8.369) 15.787 2.286 ( -4.336 2.386 -9.365) 10.592 2.286 ( 4.335 2.388 9.365) 10.592 2.499 ( -1.965 -7.036 -7.517) 10.482 2.499 ( 1.961 -7.036 7.518) 10.482 2.821 ( -4.484 1.567 -2.652) 5.440 2.822 ( 4.486 1.567 2.654) 5.442 3.136 ( 3.538 -1.648 -2.937) 4.885 3.136 ( -3.538 -1.647 2.937) 4.884 3.476 ( -1.620 -7.620 -5.669) 9.635 3.476 ( 1.619 -7.620 5.669) 9.635 4.611 ( -4.073 5.667 0.452) 6.994 4.611 ( 4.071 5.667 -0.453) 6.993 4.960 ( -3.498 6.260 -7.145) 10.123 4.960 ( 3.498 6.258 7.147) 10.123 5.223 ( 2.292 1.224 -6.259) 6.776 5.223 ( -2.290 1.223 6.260) 6.777 5.367 ( -2.761 -1.177 -3.810) 4.850 5.367 ( 2.762 -1.177 3.810) 4.851 6.134 ( -2.856 -6.617 -0.235) 7.211 6.134 ( 2.856 -6.617 0.236) 7.211 6.676 ( -4.246 -3.606 0.363) 5.583 6.676 ( 4.247 -3.604 -0.357) 5.582 7.474 ( -4.767 1.714 -0.352) 5.078 7.474 ( 4.768 1.714 0.352) 5.079 7.595 ( -4.464 1.668 -0.740) 4.823 7.595 ( 4.463 1.669 0.740) 4.821 7.828 ( -4.535 -9.872 -1.691) 10.994 7.828 ( 4.537 -9.870 1.692) 10.994 9.017 ( 1.638 0.033 2.874) 3.308 9.017 ( -1.637 0.030 -2.867) 3.302 9.207 ( -1.267 -1.693 -6.256) 6.604 9.207 ( 1.263 -1.693 6.252) 6.599 9.598 ( -0.840 -1.086 -2.532) 2.881 9.598 ( 0.841 -1.086 2.533) 2.882 10.328 ( -0.960 3.112 -0.290) 3.270 10.328 ( 0.958 3.113 0.291) 3.271 10.528 ( -3.430 0.838 -6.823) 7.682 10.528 ( 3.430 0.840 6.823) 7.683 11.190 ( -1.479 1.518 -3.296) 3.918 11.190 ( 1.479 1.514 3.298) 3.919 11.560 ( -9.062 -5.214 0.059) 10.455 11.560 ( 9.060 -5.214 -0.056) 10.453 12.521 ( -1.271 6.853 -7.787) 10.451 12.521 ( 1.271 6.853 7.788) 10.452 13.139 ( 0.494 2.740 -1.217) 3.038 13.139 ( -0.494 2.740 1.217) 3.038 14.286 ( 4.862 0.234 -9.437) 10.618 14.286 ( -4.862 0.234 9.438) 10.619 15.253 ( -0.574 1.638 -9.375) 9.535 15.253 ( 0.574 1.634 9.374) 9.532 15.565 ( 0.840 -7.319 -4.638) 8.705 15.565 ( -0.841 -7.319 4.640) 8.707 16.214 ( 3.640 -1.280 -4.343) 5.809 16.214 ( -3.639 -1.281 4.344) 5.810 17.443 ( -2.177 12.279 -6.799) 14.204 17.443 ( 2.177 12.280 6.807) 14.208 18.700 ( 0.771 -6.270 11.538) 13.154 18.700 ( -0.772 -6.276 -11.536) 13.155 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.969 12.719 -7.414) 14.754 1.828 ( 0.016 9.728 0.831) 9.763 2.129 ( -3.428 6.906 -2.573) 8.128 2.318 ( -9.155 -2.328 -6.718) 11.591 2.452 ( 3.264 -0.187 6.027) 6.857 2.589 ( -1.547 -9.868 8.129) 12.878 2.735 ( -2.442 2.324 0.209) 3.378 2.896 ( 2.121 0.616 0.056) 2.209 3.098 ( -3.485 1.190 0.651) 3.740 3.160 ( 1.441 -3.839 -0.771) 4.172 3.369 ( -2.881 -6.211 -5.900) 9.038 3.533 ( -1.063 -8.751 2.868) 9.271 4.476 ( -8.208 6.775 -2.266) 10.882 4.605 ( -1.260 1.753 -6.320) 6.679 4.824 ( -2.124 7.362 -7.395) 10.649 5.083 ( 4.342 2.169 1.492) 5.078 5.204 ( -1.158 3.360 -0.855) 3.656 5.243 ( -1.162 2.681 -3.844) 4.829 5.298 ( -1.403 -2.878 5.268) 6.165 5.416 ( -0.175 -2.120 0.938) 2.325 6.121 ( 0.280 -3.974 0.575) 4.025 6.217 ( 5.536 -6.751 0.640) 8.754 6.642 ( -3.307 -0.447 5.714) 6.617 6.780 ( 4.612 -6.170 4.735) 9.042 7.380 ( -5.828 1.721 1.604) 6.285 7.493 ( -4.144 0.222 -0.833) 4.233 7.525 ( -2.043 -2.996 -0.365) 3.645 7.638 ( -1.631 -1.696 -0.611) 2.431 7.819 ( 8.720 -2.179 -0.623) 9.010 7.953 ( 7.926 -7.400 -2.393) 11.104 8.898 ( -1.222 0.902 -8.938) 9.066 8.984 ( -3.491 -2.909 -3.061) 5.480 9.192 ( -0.037 0.752 3.354) 3.437 9.287 ( 0.161 -2.149 1.853) 2.842 9.573 ( 0.746 0.183 -1.698) 1.863 9.654 ( 2.431 -2.261 2.179) 3.972 10.340 ( 1.287 4.442 4.189) 6.240 10.364 ( 0.942 2.717 0.126) 2.879 10.462 ( 2.458 5.783 -0.736) 6.327 10.668 ( 3.471 -3.333 4.881) 6.854 11.093 ( -6.173 0.638 0.964) 6.280 11.272 ( 1.010 -4.000 0.794) 4.201 11.335 ( -9.332 2.171 -5.417) 11.007 11.652 ( 3.983 -7.178 -3.128) 8.785 12.465 ( 2.399 10.991 -4.962) 12.295 12.668 ( 3.822 3.102 8.566) 9.880 13.032 ( -8.770 3.478 -1.023) 9.490 13.128 ( -1.842 0.204 -2.291) 2.946 14.323 ( 9.157 0.660 -5.156) 10.530 14.389 ( 5.246 -0.443 7.291) 8.993 15.140 ( 1.572 7.346 -6.673) 10.048 15.400 ( 3.123 -2.275 5.502) 6.723 15.536 ( -0.964 -3.602 3.084) 4.839 15.663 ( 5.795 -9.407 1.906) 11.212 16.257 ( 1.776 -1.619 6.665) 7.086 16.279 ( 7.695 -1.543 -1.200) 7.940 17.290 ( -5.296 13.853 -8.935) 17.314 17.514 ( -0.162 8.403 2.676) 8.821 18.510 ( -6.362 -1.295 -11.341) 13.068 18.794 ( -4.332 -10.156 10.082) 14.952 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.342 11.384 -2.783) 11.796 1.779 ( 0.472 5.646 -5.599) 7.965 2.090 ( -8.160 1.014 -3.321) 8.868 2.135 ( -2.454 9.425 5.422) 11.147 2.539 ( 0.767 -3.133 5.762) 6.603 2.587 ( -7.358 -5.280 4.320) 10.034 2.794 ( 2.825 0.208 6.719) 7.292 2.894 ( -1.451 -3.545 -0.879) 3.930 3.045 ( -0.749 5.413 -2.018) 5.825 3.149 ( -2.838 -2.657 -0.064) 3.888 3.259 ( -3.444 -4.842 -3.995) 7.160 3.507 ( -3.355 -10.439 -0.094) 10.965 4.334 ( -3.897 4.462 -3.916) 7.102 4.464 ( -2.429 -0.968 -10.882) 11.192 4.736 ( -1.201 8.249 -3.603) 9.082 5.098 ( -4.123 5.067 -5.684) 8.659 5.115 ( -0.823 -4.673 -1.438) 4.958 5.220 ( -2.688 0.149 2.011) 3.360 5.344 ( -0.283 -0.970 2.192) 2.413 5.388 ( -2.764 -2.669 -1.333) 4.067 6.130 ( 0.235 -0.549 0.215) 0.635 6.303 ( 4.796 -6.677 -0.664) 8.248 6.694 ( 1.266 2.152 6.038) 6.534 6.912 ( 3.238 -6.873 5.218) 9.217 7.313 ( -4.146 2.893 0.480) 5.078 7.424 ( -2.002 -3.388 0.132) 3.937 7.476 ( -5.402 -3.456 2.927) 7.049 7.580 ( -3.195 -3.201 -1.310) 4.709 7.984 ( 8.351 -1.472 -4.281) 9.499 8.007 ( 5.681 -3.361 -3.484) 7.464 8.808 ( 1.365 2.997 -5.506) 6.416 8.950 ( 3.936 -2.205 -4.829) 6.609 9.196 ( -3.785 1.174 2.214) 4.540 9.278 ( -0.613 -1.653 2.285) 2.886 9.579 ( 1.025 1.066 0.216) 1.495 9.726 ( 3.311 -3.476 2.319) 5.331 10.405 ( 3.216 6.978 1.456) 7.821 10.450 ( 2.485 6.701 5.452) 8.989 10.533 ( 5.267 2.147 1.390) 5.855 10.693 ( -4.013 -2.260 -1.434) 4.824 11.003 ( -6.766 -3.233 0.246) 7.503 11.098 ( -6.016 -4.953 -2.437) 8.165 11.363 ( 3.429 4.011 2.533) 5.854 11.669 ( 2.607 -7.015 -1.833) 7.705 12.454 ( 2.104 13.014 -4.565) 13.951 12.779 ( -0.113 -1.667 2.267) 2.816 12.861 ( -8.705 5.440 -0.612) 10.284 13.062 ( -2.208 -2.918 -2.196) 4.268 14.439 ( 8.645 2.869 -1.138) 9.179 14.611 ( 11.262 -1.841 7.532) 13.673 15.177 ( 8.205 10.056 -1.867) 13.112 15.484 ( 5.703 -0.117 -1.281) 5.846 15.575 ( -1.758 -3.629 5.747) 7.021 15.793 ( 6.646 -6.287 2.910) 9.600 16.377 ( 5.684 -0.760 2.398) 6.216 16.464 ( 10.305 -3.112 6.173) 12.409 17.082 ( -7.214 12.507 -8.401) 16.705 17.501 ( -1.330 1.232 -2.497) 3.085 18.242 ( -11.442 5.281 -9.805) 15.967 18.783 ( -9.096 -13.197 7.646) 17.758 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.044 11.436 1.257) 11.505 1.787 ( 6.413 6.028 0.904) 8.848 2.016 ( -1.373 1.623 7.304) 7.607 2.103 ( -8.767 2.453 3.156) 9.635 2.486 ( -7.144 -3.359 0.459) 7.908 2.628 ( 2.196 -2.219 3.522) 4.706 2.782 ( -5.674 -2.501 -0.344) 6.210 2.941 ( 1.240 -1.334 5.006) 5.327 3.041 ( -3.213 1.461 0.886) 3.639 3.102 ( 0.035 2.392 2.907) 3.765 3.163 ( -2.275 -1.099 -2.950) 3.884 3.451 ( -2.862 -10.427 0.264) 10.816 4.266 ( 1.693 1.109 -5.461) 5.824 4.321 ( 1.366 -1.049 -11.995) 12.118 4.688 ( -1.023 5.667 -2.385) 6.233 4.950 ( -6.119 5.605 -4.739) 9.556 5.052 ( -3.108 -6.541 -4.168) 8.355 5.153 ( -6.971 0.036 -0.027) 6.971 5.288 ( -3.362 -4.354 -4.799) 7.300 5.332 ( -5.754 -3.043 2.748) 7.066 6.150 ( 1.517 1.254 1.371) 2.399 6.368 ( 4.296 -7.279 -0.864) 8.496 6.807 ( 6.208 3.045 2.398) 7.319 6.952 ( 0.421 -3.141 -3.212) 4.512 7.259 ( -3.460 4.276 -0.072) 5.501 7.423 ( -1.000 -5.304 2.717) 6.043 7.429 ( -5.972 -2.200 5.568) 8.456 7.522 ( -3.645 -4.366 2.009) 6.031 7.935 ( -1.099 -1.082 -6.198) 6.387 8.093 ( 5.880 -6.625 -5.821) 10.599 8.814 ( 3.478 4.687 -3.252) 6.682 8.915 ( 0.736 1.249 -8.900) 9.018 9.210 ( 2.605 5.229 6.349) 8.627 9.386 ( 6.164 -2.853 7.838) 10.372 9.625 ( 2.417 1.313 3.312) 4.305 9.816 ( 3.864 -4.870 2.902) 6.861 10.403 ( -4.596 6.408 -4.405) 9.033 10.480 ( 0.484 4.740 -4.642) 6.652 10.562 ( -4.476 2.713 -1.577) 5.467 10.687 ( 5.357 -0.701 5.672) 7.833 10.892 ( -5.720 -2.105 0.760) 6.142 11.057 ( -0.308 -5.804 1.323) 5.961 11.467 ( 4.477 4.431 3.904) 7.411 11.707 ( 1.860 -5.452 1.588) 5.976 12.434 ( 1.443 11.534 -3.281) 12.078 12.673 ( -5.859 -1.532 -3.024) 6.769 12.796 ( -3.243 2.947 -0.610) 4.424 13.004 ( -2.032 -4.026 -2.998) 5.416 14.586 ( 7.860 7.951 3.561) 11.734 14.916 ( 13.203 -3.452 9.559) 16.661 15.307 ( 6.003 4.992 1.712) 7.993 15.532 ( 0.585 -5.550 -2.156) 5.983 15.678 ( 12.313 8.528 1.677) 15.072 15.936 ( 5.957 -2.040 2.895) 6.930 16.473 ( 5.285 4.523 -3.588) 7.827 16.661 ( 2.990 2.768 3.460) 5.346 16.933 ( -2.984 1.991 2.093) 4.154 17.433 ( 1.761 -12.554 -8.456) 15.239 17.927 ( -14.929 14.313 -6.240) 21.602 18.668 ( -12.965 -15.488 4.503) 20.694 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -4.160 5.404 -1.319) 6.946 1.903 ( -12.782 -1.752 1.169) 12.954 2.058 ( 11.462 7.626 9.389) 16.664 2.171 ( 3.467 1.790 11.541) 12.183 2.397 ( -3.063 -3.328 0.676) 4.573 2.583 ( -4.126 -5.662 -5.353) 8.817 2.776 ( 0.584 2.032 4.151) 4.659 2.956 ( -5.478 -3.525 0.384) 6.526 2.981 ( 0.410 3.364 0.294) 3.401 3.076 ( -2.395 1.717 1.081) 3.139 3.277 ( 6.454 3.951 7.209) 10.452 3.428 ( -2.744 -6.773 4.626) 8.649 4.231 ( 3.521 -0.629 -11.119) 11.681 4.238 ( 3.344 -0.811 -10.382) 10.937 4.639 ( -0.920 0.918 -2.966) 3.239 4.820 ( -3.468 5.762 -2.376) 7.133 4.922 ( -5.894 -6.238 -4.448) 9.667 5.012 ( -8.205 0.793 -1.859) 8.450 5.173 ( -3.957 -6.525 -3.799) 8.525 5.243 ( -7.778 -5.364 2.089) 9.676 6.216 ( 3.115 1.387 3.374) 4.797 6.415 ( 2.495 -7.000 -1.589) 7.599 6.896 ( 1.748 1.630 -3.561) 4.289 6.950 ( 7.295 -0.218 -2.494) 7.713 7.188 ( -2.800 6.594 -1.687) 7.360 7.380 ( -5.608 -1.305 3.578) 6.779 7.427 ( -1.621 -1.973 0.440) 2.591 7.499 ( -6.086 -5.684 5.900) 10.206 7.872 ( -0.706 -3.310 -0.151) 3.388 8.073 ( 2.149 -10.178 -8.572) 13.479 8.821 ( 2.023 3.848 -2.987) 5.275 8.838 ( 0.149 3.254 -4.074) 5.216 9.403 ( 8.832 8.204 7.723) 14.316 9.594 ( 6.702 -0.191 7.298) 9.911 9.738 ( 4.983 0.677 5.821) 7.692 9.911 ( 3.263 -4.786 3.034) 6.539 10.218 ( -7.762 3.605 -6.027) 10.468 10.354 ( -4.344 0.088 -7.993) 9.098 10.520 ( -0.739 4.705 -2.799) 5.525 10.693 ( -5.978 -5.131 -2.321) 8.213 10.927 ( 4.462 3.999 5.053) 7.838 11.086 ( -0.084 -3.225 3.096) 4.471 11.586 ( 4.208 4.287 4.154) 7.303 11.750 ( 0.401 -2.615 1.985) 3.307 12.447 ( 2.479 7.536 0.210) 7.936 12.593 ( -0.747 -0.600 -0.691) 1.181 12.712 ( -3.574 1.037 -3.791) 5.312 12.910 ( -4.117 -3.241 -4.657) 7.010 14.779 ( 7.964 11.453 7.148) 15.675 15.185 ( 5.626 -2.835 3.965) 7.444 15.431 ( 4.475 0.945 7.757) 9.005 15.522 ( 2.679 -3.764 -0.196) 4.624 15.937 ( 14.152 9.017 -1.590) 16.856 16.024 ( 5.126 1.558 -2.718) 6.007 16.448 ( 2.937 11.216 -7.667) 13.900 16.707 ( 0.065 2.935 4.554) 5.419 16.933 ( -7.410 0.494 5.284) 9.114 17.372 ( 0.286 -18.341 -12.697) 22.309 17.704 ( -2.598 11.669 2.161) 12.148 18.462 ( -15.639 -16.933 1.176) 23.080 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.449 -0.219 -1.533) 2.897 1.680 ( -12.353 -3.175 0.863) 12.783 2.287 ( 2.912 -2.877 2.826) 4.975 2.358 ( 3.766 1.062 4.852) 6.233 2.379 ( 1.492 2.009 2.726) 3.700 2.499 ( -1.436 4.235 -1.233) 4.639 2.824 ( 1.817 -1.851 1.310) 2.905 2.881 ( -3.695 -3.211 -0.576) 4.929 2.996 ( 1.853 3.170 0.756) 3.749 3.050 ( -2.273 2.398 -0.816) 3.403 3.435 ( 4.609 3.368 3.589) 6.743 3.475 ( -1.976 0.584 7.366) 7.649 4.141 ( -0.734 -0.454 -5.987) 6.049 4.154 ( 1.141 -0.691 -9.610) 9.702 4.646 ( 5.048 -2.716 -0.026) 5.733 4.776 ( -6.667 -2.872 -1.797) 7.478 4.799 ( 0.860 -0.985 -0.516) 1.405 4.864 ( -5.862 2.170 -1.453) 6.417 5.106 ( 0.767 -6.796 -2.476) 7.274 5.144 ( -6.176 -6.432 1.829) 9.103 6.316 ( 2.990 -0.404 4.737) 5.617 6.400 ( -0.738 -3.998 -3.801) 5.566 6.906 ( 3.222 2.352 -0.508) 4.021 6.974 ( -1.983 -1.030 -2.465) 3.327 7.201 ( 8.665 6.788 -3.883) 11.672 7.312 ( -9.747 1.799 5.725) 11.446 7.408 ( 2.424 -2.532 -3.080) 4.666 7.444 ( -5.798 -4.031 3.317) 7.802 7.909 ( -0.353 -7.914 6.811) 10.447 7.992 ( 0.834 -10.493 -9.182) 13.969 8.821 ( 1.887 3.905 -2.150) 4.841 8.827 ( -0.420 3.450 0.569) 3.522 9.618 ( 7.150 7.827 5.703) 12.038 9.718 ( 0.648 4.044 0.901) 4.193 9.886 ( 4.640 1.634 3.736) 6.178 9.953 ( -2.191 2.856 0.859) 3.701 10.103 ( 0.204 -5.080 0.663) 5.127 10.194 ( -4.243 -3.282 -6.539) 8.458 10.484 ( 1.122 1.784 -1.817) 2.783 10.552 ( -5.851 -2.173 -2.905) 6.884 11.043 ( 3.698 2.418 2.487) 5.070 11.097 ( -1.819 -0.094 0.996) 2.076 11.690 ( 3.234 3.253 3.012) 5.487 11.751 ( -1.581 0.738 -0.367) 1.783 12.511 ( 2.647 2.906 3.223) 5.083 12.604 ( -2.919 3.354 -4.408) 6.261 12.641 ( 4.245 -2.358 2.522) 5.472 12.773 ( -5.644 -1.620 -4.744) 7.548 14.992 ( 7.102 9.436 7.562) 14.024 15.163 ( -4.550 2.708 -4.630) 7.034 15.565 ( 4.668 2.351 3.700) 6.404 15.638 ( 1.097 3.275 2.384) 4.197 15.996 ( -0.767 -2.706 7.672) 8.171 16.097 ( 7.260 -1.282 -13.263) 15.175 16.517 ( 10.042 9.187 -0.010) 13.611 16.687 ( -6.914 2.624 -1.998) 7.661 16.910 ( -0.307 5.465 10.251) 11.620 17.124 ( -9.510 6.240 -10.862) 15.728 17.888 ( 14.945 -12.731 3.628) 19.965 18.188 ( -16.790 -16.956 -1.752) 23.927 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -0.000 -0.003 0.003) 0.004 1.954 ( 0.000 0.003 0.005) 0.006 2.218 ( -0.000 -0.000 0.000) 0.000 2.218 ( 0.000 0.002 0.002) 0.002 2.478 ( -0.002 -0.002 0.001) 0.003 2.478 ( -0.003 0.002 0.000) 0.004 2.824 ( 0.001 -0.002 -0.000) 0.002 2.824 ( 0.001 0.002 0.000) 0.002 3.140 ( -0.000 -0.000 0.000) 0.000 3.140 ( 0.000 0.001 0.000) 0.001 3.369 ( -0.000 -0.001 0.000) 0.001 3.369 ( -0.000 0.000 -0.000) 0.000 4.675 ( -0.001 -0.000 -0.000) 0.001 4.675 ( -0.001 0.001 0.000) 0.001 5.056 ( -0.000 -0.000 0.003) 0.003 5.056 ( -0.001 0.001 0.004) 0.005 5.193 ( 0.001 -0.003 -0.001) 0.004 5.193 ( 0.001 0.002 -0.002) 0.003 5.391 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.002 0.000) 0.002 6.047 ( -0.000 -0.001 0.000) 0.001 6.047 ( 0.000 0.001 0.000) 0.001 6.635 ( 0.001 0.002 0.004) 0.005 6.635 ( -0.001 -0.000 0.003) 0.003 7.506 ( 0.000 -0.000 0.000) 0.001 7.506 ( 0.001 0.002 0.001) 0.002 7.630 ( -0.002 -0.000 0.000) 0.002 7.630 ( 0.001 0.000 0.000) 0.001 7.684 ( -0.002 -0.000 0.000) 0.002 7.684 ( 0.003 -0.001 0.000) 0.003 9.029 ( 0.003 -0.003 0.004) 0.006 9.029 ( 0.004 0.004 0.004) 0.006 9.179 ( -0.005 -0.002 -0.003) 0.006 9.179 ( -0.004 0.002 -0.002) 0.005 9.584 ( 0.000 -0.000 0.000) 0.000 9.584 ( -0.000 0.000 0.001) 0.001 10.364 ( -0.001 0.000 0.000) 0.001 10.364 ( -0.001 0.001 0.004) 0.004 10.533 ( 0.000 -0.001 -0.002) 0.002 10.533 ( 0.001 0.002 0.000) 0.002 11.219 ( -0.004 -0.001 -0.001) 0.004 11.219 ( -0.000 0.001 0.001) 0.002 11.493 ( 0.004 0.004 0.005) 0.007 11.493 ( -0.002 -0.001 0.002) 0.003 12.598 ( -0.001 -0.002 -0.000) 0.003 12.598 ( -0.000 0.002 -0.000) 0.002 13.172 ( 0.001 0.001 -0.000) 0.001 13.172 ( 0.000 0.000 0.001) 0.001 14.292 ( -0.000 -0.000 0.001) 0.001 14.292 ( -0.001 0.001 0.002) 0.002 15.288 ( 0.002 -0.004 -0.005) 0.007 15.288 ( 0.001 0.004 -0.004) 0.006 15.463 ( -0.002 -0.002 0.004) 0.005 15.463 ( -0.002 0.004 0.004) 0.006 16.201 ( 0.001 -0.000 0.001) 0.001 16.201 ( 0.001 0.001 0.001) 0.002 17.583 ( -0.001 -0.000 0.005) 0.005 17.583 ( -0.001 0.002 0.007) 0.007 18.625 ( -0.000 -0.003 -0.001) 0.004 18.625 ( -0.000 0.003 -0.001) 0.003 ======================= Grid point 349 (166/170) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -2.378 -5.606 -4.765) 7.732 1.898 ( -2.379 5.605 -4.765) 7.731 2.227 ( -2.945 -5.910 2.625) 7.106 2.227 ( -2.945 5.911 2.625) 7.106 2.462 ( -0.221 -3.691 0.935) 3.814 2.462 ( -0.221 3.692 0.935) 3.815 2.832 ( -1.865 -4.920 3.102) 6.108 2.832 ( -1.864 4.920 3.102) 6.107 3.120 ( 0.257 -0.953 -2.380) 2.576 3.120 ( 0.257 0.954 -2.380) 2.577 3.360 ( -1.737 -6.175 -0.295) 6.421 3.360 ( -1.737 6.175 -0.295) 6.421 4.589 ( -5.106 -3.238 -5.979) 8.503 4.590 ( -5.106 3.238 -5.980) 8.504 5.003 ( -0.289 -8.096 -5.523) 9.804 5.003 ( -0.290 8.096 -5.523) 9.805 5.247 ( 0.882 -2.921 3.366) 4.544 5.247 ( 0.883 2.921 3.367) 4.544 5.354 ( -4.079 -4.656 0.601) 6.219 5.354 ( -4.079 4.658 0.602) 6.221 6.103 ( 4.669 -2.818 0.846) 5.518 6.103 ( 4.669 2.818 0.846) 5.519 6.674 ( 1.059 -3.484 5.408) 6.520 6.675 ( 1.058 3.485 5.407) 6.519 7.437 ( -6.651 -4.006 0.825) 7.808 7.437 ( -6.651 4.006 0.825) 7.808 7.554 ( -3.018 -4.530 -0.837) 5.507 7.554 ( -3.018 4.530 -0.837) 5.507 7.840 ( 11.797 -3.274 -1.642) 12.352 7.840 ( 11.796 3.274 -1.641) 12.352 8.933 ( -2.410 -2.153 -6.349) 7.124 8.933 ( -2.409 2.153 -6.348) 7.123 9.230 ( 0.242 -2.695 2.945) 4.000 9.230 ( 0.241 2.696 2.946) 4.001 9.601 ( 1.940 -2.282 -0.167) 3.000 9.601 ( 1.940 2.282 -0.167) 3.000 10.392 ( 1.892 -0.400 3.262) 3.792 10.392 ( 1.891 0.400 3.263) 3.792 10.577 ( 2.525 -5.034 2.133) 6.022 10.577 ( 2.525 5.035 2.130) 6.022 11.147 ( -7.470 -4.812 -0.948) 8.936 11.147 ( -7.471 4.814 -0.949) 8.938 11.485 ( 2.030 -8.321 -3.231) 9.154 11.485 ( 2.027 8.321 -3.232) 9.154 12.642 ( 3.150 -5.255 1.279) 6.259 12.642 ( 3.150 5.255 1.279) 6.259 13.104 ( -6.407 -2.629 -1.184) 7.026 13.104 ( -6.407 2.630 -1.184) 7.026 14.360 ( 7.126 -2.176 0.993) 7.516 14.360 ( 7.125 2.176 0.993) 7.516 15.311 ( 5.075 -7.380 -2.939) 9.426 15.311 ( 5.073 7.380 -2.938) 9.425 15.511 ( 2.153 -2.833 4.717) 5.909 15.511 ( 2.152 2.835 4.718) 5.910 16.251 ( 3.587 -0.788 3.647) 5.176 16.251 ( 3.587 0.789 3.648) 5.176 17.522 ( -2.743 -6.860 -6.505) 9.844 17.522 ( -2.743 6.860 -6.505) 9.844 18.590 ( -5.748 -8.115 2.189) 10.183 18.590 ( -5.748 8.116 2.189) 10.183 ======================= Grid point 351 (167/170) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -1.110 -3.991 -1.291) 4.339 1.820 ( -1.110 3.989 -1.291) 4.337 2.154 ( -6.389 -5.843 -0.177) 8.660 2.154 ( -6.389 5.843 -0.177) 8.659 2.516 ( -0.306 -3.612 6.279) 7.250 2.516 ( -0.306 3.614 6.278) 7.251 2.817 ( -2.306 -1.992 1.477) 3.386 2.817 ( -2.305 1.991 1.478) 3.386 3.119 ( -0.092 -2.118 1.290) 2.481 3.119 ( -0.093 2.118 1.289) 2.481 3.293 ( -3.015 -8.857 -3.582) 10.018 3.293 ( -3.015 8.858 -3.583) 10.019 4.424 ( -3.480 -3.201 -8.939) 10.112 4.424 ( -3.479 3.201 -8.940) 10.113 4.942 ( -1.059 -9.988 -3.936) 10.788 4.942 ( -1.059 9.989 -3.936) 10.788 5.218 ( -4.762 -3.513 -1.634) 6.139 5.218 ( -4.761 3.511 -1.634) 6.137 5.316 ( -3.468 -1.422 2.262) 4.377 5.316 ( -3.470 1.425 2.261) 4.380 6.176 ( 3.531 -4.682 -0.209) 5.868 6.176 ( 3.532 4.682 -0.209) 5.869 6.780 ( 3.219 -5.537 5.861) 8.682 6.780 ( 3.217 5.538 5.860) 8.681 7.364 ( -3.646 -2.787 1.866) 4.954 7.364 ( -3.646 2.787 1.866) 4.954 7.490 ( -3.812 -4.276 -0.589) 5.759 7.490 ( -3.812 4.276 -0.589) 5.759 7.970 ( 7.530 -0.553 -5.098) 9.110 7.970 ( 7.529 0.554 -5.098) 9.110 8.884 ( 3.899 -3.782 -4.412) 6.998 8.884 ( 3.899 3.782 -4.412) 6.998 9.235 ( -1.816 -2.234 2.623) 3.894 9.236 ( -1.816 2.234 2.624) 3.895 9.637 ( 2.300 -4.122 0.537) 4.751 9.637 ( 2.300 4.123 0.537) 4.751 10.505 ( 4.700 -1.946 5.741) 7.671 10.505 ( 4.701 1.947 5.739) 7.670 10.609 ( -1.205 -5.055 -0.464) 5.217 10.609 ( -1.203 5.055 -0.466) 5.218 11.000 ( -6.538 -2.916 -1.889) 7.404 11.000 ( -6.539 2.917 -1.890) 7.405 11.508 ( 3.275 4.850 -0.234) 5.857 11.508 ( 3.277 -4.849 -0.235) 5.857 12.674 ( -0.166 -7.680 -1.932) 7.921 12.674 ( -0.165 7.680 -1.932) 7.921 12.980 ( -5.831 -4.889 -0.911) 7.664 12.980 ( -5.832 4.889 -0.911) 7.664 14.534 ( 10.102 -5.031 4.211) 12.046 14.534 ( 10.101 5.030 4.210) 12.045 15.374 ( 5.079 -8.077 -2.349) 9.826 15.374 ( 5.078 8.077 -2.350) 9.826 15.640 ( 8.329 -7.109 3.426) 11.474 15.640 ( 8.329 7.111 3.426) 11.475 16.395 ( 6.217 -2.531 6.892) 9.621 16.395 ( 6.218 2.531 6.892) 9.621 17.354 ( -5.256 -11.990 -11.097) 17.162 17.354 ( -5.256 11.990 -11.096) 17.161 18.483 ( -10.670 -14.557 2.932) 18.285 18.483 ( -10.670 14.558 2.933) 18.286 ======================= Grid point 353 (168/170) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.895 -2.458 5.264) 5.878 1.861 ( 0.897 2.455 5.264) 5.878 2.044 ( -6.237 -4.905 2.847) 8.430 2.044 ( -6.238 4.906 2.847) 8.432 2.519 ( -3.812 -6.152 -0.218) 7.241 2.519 ( -3.812 6.153 -0.218) 7.241 2.833 ( -0.528 -5.819 4.947) 7.656 2.833 ( -0.528 5.819 4.947) 7.656 3.096 ( -3.237 -2.451 -0.696) 4.120 3.096 ( -3.237 2.452 -0.696) 4.120 3.251 ( 1.323 -8.132 0.984) 8.297 3.251 ( 1.323 8.132 0.984) 8.298 4.298 ( 1.210 -1.366 -9.847) 10.015 4.298 ( 1.211 1.366 -9.848) 10.016 4.863 ( -3.577 -9.669 -3.859) 11.008 4.863 ( -3.576 9.669 -3.858) 11.008 5.109 ( -5.316 -7.140 -2.287) 9.191 5.109 ( -5.316 7.140 -2.287) 9.190 5.239 ( -7.271 -3.437 -0.064) 8.043 5.239 ( -7.272 3.438 -0.063) 8.044 6.228 ( 2.974 -5.646 0.439) 6.396 6.228 ( 2.974 5.646 0.439) 6.396 6.883 ( 4.666 -3.680 -0.061) 5.943 6.883 ( 4.664 3.680 -0.061) 5.942 7.344 ( -2.204 -3.327 1.726) 4.348 7.344 ( -2.204 3.327 1.726) 4.348 7.431 ( -4.462 -3.295 3.436) 6.525 7.431 ( -4.462 3.295 3.436) 6.525 7.972 ( 2.231 -4.244 -7.784) 9.142 7.972 ( 2.231 4.245 -7.785) 9.143 8.896 ( 3.021 -2.760 -6.156) 7.392 8.896 ( 3.021 2.761 -6.156) 7.392 9.314 ( 5.507 -4.259 8.075) 10.661 9.314 ( 5.507 4.260 8.074) 10.661 9.696 ( 2.879 -5.322 2.508) 6.550 9.696 ( 2.879 5.323 2.508) 6.550 10.499 ( -6.177 -2.499 -5.899) 8.900 10.499 ( -6.177 2.501 -5.899) 8.900 10.630 ( 1.244 -3.710 3.536) 5.274 10.630 ( 1.244 3.710 3.535) 5.273 10.939 ( 0.077 -4.894 1.523) 5.126 10.939 ( 0.076 4.894 1.521) 5.125 11.584 ( 3.702 3.729 2.941) 6.022 11.584 ( 3.704 -3.728 2.940) 6.021 12.603 ( -3.332 -5.017 -3.032) 6.743 12.603 ( -3.332 5.018 -3.033) 6.744 12.898 ( -2.949 -5.724 -2.203) 6.805 12.898 ( -2.950 5.724 -2.203) 6.805 14.778 ( 10.471 -9.015 8.371) 16.155 14.778 ( 10.471 9.015 8.371) 16.155 15.410 ( 1.866 -5.199 -0.754) 5.575 15.410 ( 1.866 5.200 -0.756) 5.576 15.853 ( 14.416 -6.254 -0.804) 15.735 15.853 ( 14.417 6.255 -0.805) 15.736 16.594 ( 7.108 -6.786 7.879) 12.596 16.594 ( 7.108 6.786 7.877) 12.595 17.118 ( -6.628 -14.065 -11.994) 19.637 17.118 ( -6.628 14.065 -11.993) 19.636 18.306 ( -14.018 -18.581 1.936) 23.356 18.306 ( -14.018 18.582 1.936) 23.357 ======================= Grid point 355 (169/170) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -11.729 -8.720 0.210) 14.617 1.772 ( -11.729 8.720 0.209) 14.617 2.171 ( 6.073 -3.136 11.069) 13.009 2.171 ( 6.074 3.135 11.069) 13.010 2.441 ( -1.318 -6.973 -2.160) 7.418 2.441 ( -1.317 6.973 -2.160) 7.418 2.850 ( -2.756 -4.869 2.105) 5.978 2.850 ( -2.756 4.870 2.105) 5.978 3.059 ( 0.127 -3.041 -1.218) 3.278 3.059 ( 0.127 3.042 -1.218) 3.279 3.339 ( 2.717 -2.393 8.209) 8.972 3.340 ( 2.717 2.393 8.210) 8.973 4.227 ( 3.655 -0.225 -11.370) 11.945 4.227 ( 3.656 0.225 -11.371) 11.946 4.740 ( -5.206 -7.806 -3.971) 10.188 4.740 ( -5.204 7.806 -3.971) 10.187 5.000 ( -4.449 -8.480 -2.011) 9.785 5.000 ( -4.448 8.480 -2.012) 9.785 5.100 ( -8.168 -6.235 -0.692) 10.299 5.100 ( -8.169 6.236 -0.691) 10.300 6.287 ( 2.704 -5.007 1.472) 5.878 6.287 ( 2.704 5.007 1.471) 5.878 6.931 ( 4.373 -1.447 -4.185) 6.223 6.931 ( 4.373 1.447 -4.185) 6.223 7.323 ( -0.685 -5.221 -0.359) 5.278 7.323 ( -0.685 5.220 -0.359) 5.277 7.416 ( -5.698 -1.955 7.003) 9.237 7.416 ( -5.699 1.955 7.004) 9.238 7.900 ( 0.317 -5.510 -7.347) 9.189 7.900 ( 0.317 5.511 -7.348) 9.191 8.868 ( 1.353 -0.500 -3.720) 3.990 8.868 ( 1.353 0.501 -3.720) 3.990 9.549 ( 9.485 -4.741 8.049) 13.313 9.549 ( 9.485 4.741 8.049) 13.313 9.790 ( 3.822 -4.824 4.498) 7.623 9.790 ( 3.822 4.824 4.499) 7.624 10.302 ( -8.084 -3.903 -6.737) 11.223 10.302 ( -8.084 3.904 -6.737) 11.224 10.610 ( -2.745 -3.744 -3.104) 5.584 10.610 ( -2.745 3.743 -3.105) 5.584 11.012 ( 2.704 -3.864 4.485) 6.508 11.012 ( 2.703 3.865 4.484) 6.508 11.679 ( 2.935 2.542 3.518) 5.240 11.679 ( 2.937 -2.541 3.517) 5.240 12.540 ( -1.131 -3.035 -0.706) 3.315 12.540 ( -1.131 3.035 -0.706) 3.315 12.815 ( -2.828 -5.843 -3.957) 7.602 12.815 ( -2.828 5.842 -3.957) 7.602 15.031 ( 6.695 -11.080 8.503) 15.488 15.031 ( 6.696 11.080 8.503) 15.489 15.457 ( 4.106 -1.883 2.998) 5.422 15.457 ( 4.107 1.883 2.999) 5.423 16.037 ( 10.353 -1.272 -5.952) 12.009 16.037 ( 10.353 1.272 -5.951) 12.009 16.729 ( 0.697 -7.150 -3.184) 7.858 16.729 ( 0.696 7.146 -3.181) 7.853 16.964 ( 1.867 -11.143 1.160) 11.358 16.964 ( 1.870 11.148 1.158) 11.362 18.075 ( -14.651 -19.316 -0.076) 24.243 18.075 ( -14.651 19.317 -0.077) 24.245 ======================= Grid point 357 (170/170) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.07e-04 4.07e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -5.976 -3.366 -0.372) 6.868 1.607 ( -5.975 3.366 -0.373) 6.868 2.272 ( -1.031 -2.137 1.312) 2.712 2.272 ( -1.031 2.137 1.312) 2.712 2.519 ( 5.193 -3.729 4.198) 7.648 2.519 ( 5.195 3.728 4.200) 7.650 2.815 ( -1.873 -1.974 -0.310) 2.739 2.815 ( -1.873 1.974 -0.310) 2.739 3.044 ( -0.213 -1.766 -1.207) 2.149 3.044 ( -0.213 1.766 -1.207) 2.150 3.492 ( 2.405 -1.060 7.629) 8.069 3.492 ( 2.405 1.060 7.629) 8.069 4.140 ( 0.664 -0.442 -8.791) 8.827 4.140 ( 0.664 0.442 -8.791) 8.827 4.644 ( -2.134 -3.727 -1.118) 4.437 4.644 ( -2.132 3.727 -1.117) 4.437 4.938 ( -0.737 -8.129 -0.554) 8.181 4.938 ( -0.737 8.129 -0.554) 8.181 4.980 ( -4.825 -7.691 -0.567) 9.097 4.980 ( -4.825 7.692 -0.566) 9.097 6.337 ( 1.187 -2.078 1.006) 2.596 6.337 ( 1.186 2.078 1.005) 2.595 6.943 ( 1.854 -1.488 -2.340) 3.336 6.943 ( 1.853 1.489 -2.340) 3.336 7.325 ( 2.101 -3.553 -1.446) 4.374 7.325 ( 2.100 3.552 -1.446) 4.372 7.383 ( -5.268 -1.801 4.007) 6.859 7.383 ( -5.269 1.802 4.008) 6.861 7.844 ( 0.245 -2.448 -2.801) 3.728 7.844 ( 0.245 2.449 -2.802) 3.730 8.863 ( 0.755 -0.075 -0.834) 1.127 8.863 ( 0.755 0.075 -0.834) 1.128 9.745 ( 4.753 -2.706 3.486) 6.486 9.745 ( 4.753 2.706 3.486) 6.486 9.923 ( 5.488 -3.157 5.057) 8.103 9.923 ( 5.488 3.157 5.058) 8.104 10.102 ( -7.311 -4.155 -5.399) 9.993 10.102 ( -7.310 4.156 -5.400) 9.994 10.523 ( -2.125 -1.472 -2.795) 3.806 10.523 ( -2.125 1.471 -2.795) 3.806 11.084 ( 1.042 -1.298 1.939) 2.555 11.084 ( 1.041 1.299 1.939) 2.555 11.744 ( 1.140 0.973 1.575) 2.174 11.745 ( 1.141 -0.972 1.574) 2.173 12.544 ( 0.651 -2.081 0.842) 2.338 12.544 ( 0.652 2.083 0.842) 2.339 12.731 ( -1.847 -3.419 -2.650) 4.703 12.731 ( -1.847 3.419 -2.649) 4.703 15.148 ( 0.933 -4.388 2.234) 5.012 15.148 ( 0.934 4.389 2.234) 5.012 15.630 ( 6.347 -3.332 7.876) 10.650 15.630 ( 6.346 3.331 7.876) 10.649 16.019 ( -0.582 -4.375 -8.879) 9.916 16.019 ( -0.582 4.375 -8.879) 9.916 16.652 ( -0.723 -4.302 -3.010) 5.300 16.653 ( -0.723 4.303 -3.009) 5.300 17.113 ( 5.553 -9.932 4.072) 12.086 17.113 ( 5.552 9.931 4.072) 12.085 17.860 ( -8.360 -11.234 -1.058) 14.043 17.860 ( -8.362 11.235 -1.058) 14.045 =================== 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 3/31680 10.0 408.656 311.627 337.121 0.000 -53.112 0.000 3/31680 20.0 61.843 61.033 61.541 0.000 -4.277 0.000 3/31680 30.0 28.152 28.378 28.739 0.000 -1.593 0.000 3/31680 40.0 16.740 16.886 17.205 0.000 -0.838 0.000 3/31680 50.0 11.435 11.527 11.815 0.000 -0.523 0.000 3/31680 60.0 8.518 8.582 8.846 0.000 -0.366 0.000 3/31680 70.0 6.724 6.771 7.014 0.000 -0.276 0.000 3/31680 80.0 5.529 5.566 5.790 0.000 -0.219 0.000 3/31680 90.0 4.686 4.717 4.922 0.000 -0.181 0.000 3/31680 100.0 4.065 4.092 4.281 0.000 -0.153 0.000 3/31680 110.0 3.590 3.614 3.789 0.000 -0.132 0.000 3/31680 120.0 3.218 3.240 3.401 0.000 -0.115 0.000 3/31680 130.0 2.918 2.939 3.088 0.000 -0.102 0.000 3/31680 140.0 2.672 2.693 2.831 0.000 -0.092 0.000 3/31680 150.0 2.467 2.487 2.615 0.000 -0.083 0.000 3/31680 160.0 2.293 2.314 2.432 0.000 -0.076 0.000 3/31680 170.0 2.144 2.164 2.275 0.000 -0.070 0.000 3/31680 180.0 2.014 2.035 2.138 0.000 -0.065 0.000 3/31680 190.0 1.901 1.922 2.018 0.000 -0.061 0.000 3/31680 200.0 1.800 1.822 1.912 0.000 -0.057 0.000 3/31680 210.0 1.711 1.732 1.817 0.000 -0.053 0.000 3/31680 220.0 1.630 1.652 1.731 0.000 -0.050 0.000 3/31680 230.0 1.557 1.580 1.654 0.000 -0.048 0.000 3/31680 240.0 1.491 1.514 1.584 0.000 -0.045 0.000 3/31680 250.0 1.431 1.453 1.520 0.000 -0.043 0.000 3/31680 260.0 1.376 1.398 1.461 0.000 -0.041 0.000 3/31680 270.0 1.324 1.347 1.407 0.000 -0.040 0.000 3/31680 280.0 1.277 1.300 1.356 0.000 -0.038 0.000 3/31680 290.0 1.233 1.256 1.310 0.000 -0.037 0.000 3/31680 300.0 1.193 1.215 1.266 0.000 -0.035 0.000 3/31680 310.0 1.154 1.177 1.226 0.000 -0.034 0.000 3/31680 320.0 1.119 1.141 1.188 0.000 -0.033 0.000 3/31680 330.0 1.085 1.108 1.152 0.000 -0.032 0.000 3/31680 340.0 1.054 1.076 1.119 0.000 -0.031 0.000 3/31680 350.0 1.024 1.046 1.087 0.000 -0.030 0.000 3/31680 360.0 0.996 1.018 1.057 0.000 -0.029 0.000 3/31680 370.0 0.970 0.991 1.029 0.000 -0.028 0.000 3/31680 380.0 0.945 0.966 1.002 0.000 -0.027 0.000 3/31680 390.0 0.921 0.942 0.977 0.000 -0.027 0.000 3/31680 400.0 0.898 0.919 0.953 0.000 -0.026 0.000 3/31680 410.0 0.877 0.898 0.930 0.000 -0.025 0.000 3/31680 420.0 0.856 0.877 0.908 0.000 -0.025 0.000 3/31680 430.0 0.836 0.857 0.887 0.000 -0.024 0.000 3/31680 440.0 0.818 0.838 0.868 0.000 -0.024 0.000 3/31680 450.0 0.800 0.820 0.849 0.000 -0.023 0.000 3/31680 460.0 0.783 0.803 0.830 0.000 -0.023 0.000 3/31680 470.0 0.766 0.786 0.813 0.000 -0.022 0.000 3/31680 480.0 0.751 0.770 0.796 0.000 -0.022 0.000 3/31680 490.0 0.736 0.755 0.780 0.000 -0.021 0.000 3/31680 500.0 0.721 0.740 0.765 0.000 -0.021 0.000 3/31680 510.0 0.707 0.726 0.750 0.000 -0.020 0.000 3/31680 520.0 0.694 0.713 0.736 0.000 -0.020 0.000 3/31680 530.0 0.681 0.699 0.722 0.000 -0.020 0.000 3/31680 540.0 0.668 0.687 0.709 0.000 -0.019 0.000 3/31680 550.0 0.657 0.675 0.696 0.000 -0.019 0.000 3/31680 560.0 0.645 0.663 0.684 0.000 -0.018 0.000 3/31680 570.0 0.634 0.651 0.672 0.000 -0.018 0.000 3/31680 580.0 0.623 0.640 0.661 0.000 -0.018 0.000 3/31680 590.0 0.613 0.630 0.650 0.000 -0.018 0.000 3/31680 600.0 0.603 0.620 0.639 0.000 -0.017 0.000 3/31680 610.0 0.593 0.610 0.629 0.000 -0.017 0.000 3/31680 620.0 0.583 0.600 0.619 0.000 -0.017 0.000 3/31680 630.0 0.574 0.591 0.609 0.000 -0.016 0.000 3/31680 640.0 0.565 0.582 0.599 0.000 -0.016 0.000 3/31680 650.0 0.557 0.573 0.590 0.000 -0.016 0.000 3/31680 660.0 0.548 0.564 0.581 0.000 -0.016 0.000 3/31680 670.0 0.540 0.556 0.573 0.000 -0.015 0.000 3/31680 680.0 0.532 0.548 0.565 0.000 -0.015 0.000 3/31680 690.0 0.525 0.540 0.556 0.000 -0.015 0.000 3/31680 700.0 0.517 0.533 0.549 0.000 -0.015 0.000 3/31680 710.0 0.510 0.525 0.541 0.000 -0.015 0.000 3/31680 720.0 0.503 0.518 0.533 0.000 -0.014 0.000 3/31680 730.0 0.496 0.511 0.526 0.000 -0.014 0.000 3/31680 740.0 0.490 0.504 0.519 0.000 -0.014 0.000 3/31680 750.0 0.483 0.498 0.512 0.000 -0.014 0.000 3/31680 760.0 0.477 0.491 0.506 0.000 -0.014 0.000 3/31680 770.0 0.471 0.485 0.499 0.000 -0.013 0.000 3/31680 780.0 0.465 0.479 0.493 0.000 -0.013 0.000 3/31680 790.0 0.459 0.473 0.487 0.000 -0.013 0.000 3/31680 800.0 0.453 0.467 0.481 0.000 -0.013 0.000 3/31680 810.0 0.448 0.461 0.475 0.000 -0.013 0.000 3/31680 820.0 0.442 0.456 0.469 0.000 -0.013 0.000 3/31680 830.0 0.437 0.450 0.463 0.000 -0.012 0.000 3/31680 840.0 0.432 0.445 0.458 0.000 -0.012 0.000 3/31680 850.0 0.427 0.440 0.453 0.000 -0.012 0.000 3/31680 860.0 0.422 0.435 0.447 0.000 -0.012 0.000 3/31680 870.0 0.417 0.430 0.442 0.000 -0.012 0.000 3/31680 880.0 0.412 0.425 0.437 0.000 -0.012 0.000 3/31680 890.0 0.408 0.420 0.432 0.000 -0.012 0.000 3/31680 900.0 0.403 0.416 0.428 0.000 -0.011 0.000 3/31680 910.0 0.399 0.411 0.423 0.000 -0.011 0.000 3/31680 920.0 0.395 0.407 0.418 0.000 -0.011 0.000 3/31680 930.0 0.390 0.402 0.414 0.000 -0.011 0.000 3/31680 940.0 0.386 0.398 0.409 0.000 -0.011 0.000 3/31680 950.0 0.382 0.394 0.405 0.000 -0.011 0.000 3/31680 960.0 0.378 0.390 0.401 0.000 -0.011 0.000 3/31680 970.0 0.374 0.386 0.397 0.000 -0.011 0.000 3/31680 980.0 0.371 0.382 0.393 0.000 -0.011 0.000 3/31680 990.0 0.367 0.378 0.389 0.000 -0.010 0.000 3/31680 1000.0 0.363 0.375 0.385 0.000 -0.010 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1186.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|