----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:03:34]------------------------- 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 5.779812950196254 0.000000000000000 0.000000000000000 b 0.000000000000000 5.867677520000001 0.000000000000000 c -5.749025418450607 0.000000000000000 8.210628336566407 Atomic positions (fractional): *1 O 0.35142558504299 0.27506140113025 0.54639342514855 15.999 2 O 0.64857441495701 0.77506140113025 0.95360657485145 15.999 3 O 0.64857441495701 0.72493859886975 0.45360657485145 15.999 4 O 0.35142558504299 0.22493859886975 0.04639342514855 15.999 *5 O 0.26757531116402 0.80232084291767 0.54220001368701 15.999 6 O 0.73242468883598 0.30232084291767 0.95779998631299 15.999 7 O 0.73242468883598 0.19767915708233 0.45779998631299 15.999 8 O 0.26757531116402 0.69767915708233 0.04220001368702 15.999 *9 O 0.81826057903267 0.97474379021481 0.73518130948944 15.999 10 O 0.18173942096733 0.47474379021481 0.76481869051056 15.999 11 O 0.18173942096733 0.02525620978519 0.26481869051056 15.999 12 O 0.81826057903267 0.52525620978519 0.23518130948944 15.999 *13 Sr 0.74122523635334 0.53821431621990 0.75050407844315 87.620 14 Sr 0.25877476364666 0.03821431621990 0.74949592155685 87.620 15 Sr 0.74122523635334 0.96178568378010 0.25050407844315 87.620 16 Sr 0.25877476364666 0.46178568378010 0.24949592155685 87.620 *17 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 18 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 *19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.779812950196254 0.000000000000000 0.000000000000000 b 0.000000000000000 5.867677520000001 0.000000000000000 c -5.749025418450607 0.000000000000000 8.210628336566407 Atomic positions (fractional): *1 O 0.35142558504299 0.27506140113025 0.54639342514855 15.999 > 1 2 O 0.64857441495701 0.77506140113025 0.95360657485145 15.999 > 2 3 O 0.64857441495701 0.72493859886975 0.45360657485145 15.999 > 3 4 O 0.35142558504299 0.22493859886975 0.04639342514855 15.999 > 4 *5 O 0.26757531116402 0.80232084291767 0.54220001368701 15.999 > 5 6 O 0.73242468883598 0.30232084291767 0.95779998631299 15.999 > 6 7 O 0.73242468883598 0.19767915708233 0.45779998631299 15.999 > 7 8 O 0.26757531116402 0.69767915708233 0.04220001368702 15.999 > 8 *9 O 0.81826057903267 0.97474379021481 0.73518130948944 15.999 > 9 10 O 0.18173942096733 0.47474379021481 0.76481869051056 15.999 > 10 11 O 0.18173942096733 0.02525620978519 0.26481869051056 15.999 > 11 12 O 0.81826057903267 0.52525620978519 0.23518130948944 15.999 > 12 *13 Sr 0.74122523635334 0.53821431621990 0.75050407844315 87.620 > 13 14 Sr 0.25877476364666 0.03821431621990 0.74949592155685 87.620 > 14 15 Sr 0.74122523635334 0.96178568378010 0.25050407844315 87.620 > 15 16 Sr 0.25877476364666 0.46178568378010 0.24949592155685 87.620 > 16 *17 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 17 18 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 18 *19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 19 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.559625900392508 0.000000000000000 0.000000000000000 b 0.000000000000000 11.735355040000002 0.000000000000000 c -5.749025418450607 0.000000000000000 8.210628336566407 Atomic positions (fractional): *1 O 0.17571279252149 0.13753070056513 0.54639342514855 15.999 > 1 2 O 0.67571279252149 0.13753070056513 0.54639342514855 15.999 > 1 3 O 0.17571279252149 0.63753070056513 0.54639342514855 15.999 > 1 4 O 0.67571279252149 0.63753070056513 0.54639342514855 15.999 > 1 5 O 0.32428720747851 0.38753070056513 0.95360657485145 15.999 > 2 6 O 0.82428720747851 0.38753070056513 0.95360657485145 15.999 > 2 7 O 0.32428720747851 0.88753070056513 0.95360657485145 15.999 > 2 8 O 0.82428720747851 0.88753070056513 0.95360657485145 15.999 > 2 9 O 0.32428720747851 0.36246929943487 0.45360657485145 15.999 > 3 10 O 0.82428720747851 0.36246929943487 0.45360657485145 15.999 > 3 11 O 0.32428720747851 0.86246929943487 0.45360657485145 15.999 > 3 12 O 0.82428720747851 0.86246929943487 0.45360657485145 15.999 > 3 13 O 0.17571279252149 0.11246929943487 0.04639342514855 15.999 > 4 14 O 0.67571279252149 0.11246929943487 0.04639342514855 15.999 > 4 15 O 0.17571279252149 0.61246929943487 0.04639342514855 15.999 > 4 16 O 0.67571279252149 0.61246929943487 0.04639342514855 15.999 > 4 *17 O 0.13378765558201 0.40116042145884 0.54220001368701 15.999 > 5 18 O 0.63378765558201 0.40116042145884 0.54220001368701 15.999 > 5 19 O 0.13378765558201 0.90116042145884 0.54220001368701 15.999 > 5 20 O 0.63378765558201 0.90116042145884 0.54220001368701 15.999 > 5 21 O 0.36621234441799 0.15116042145884 0.95779998631299 15.999 > 6 22 O 0.86621234441799 0.15116042145884 0.95779998631299 15.999 > 6 23 O 0.36621234441799 0.65116042145884 0.95779998631299 15.999 > 6 24 O 0.86621234441799 0.65116042145884 0.95779998631299 15.999 > 6 25 O 0.36621234441799 0.09883957854116 0.45779998631299 15.999 > 7 26 O 0.86621234441799 0.09883957854116 0.45779998631299 15.999 > 7 27 O 0.36621234441799 0.59883957854116 0.45779998631299 15.999 > 7 28 O 0.86621234441799 0.59883957854116 0.45779998631299 15.999 > 7 29 O 0.13378765558201 0.34883957854116 0.04220001368702 15.999 > 8 30 O 0.63378765558201 0.34883957854116 0.04220001368702 15.999 > 8 31 O 0.13378765558201 0.84883957854116 0.04220001368702 15.999 > 8 32 O 0.63378765558201 0.84883957854116 0.04220001368702 15.999 > 8 *33 O 0.40913028951634 0.48737189510740 0.73518130948944 15.999 > 9 34 O 0.90913028951634 0.48737189510740 0.73518130948944 15.999 > 9 35 O 0.40913028951634 0.98737189510740 0.73518130948944 15.999 > 9 36 O 0.90913028951634 0.98737189510740 0.73518130948944 15.999 > 9 37 O 0.09086971048366 0.23737189510741 0.76481869051056 15.999 > 10 38 O 0.59086971048366 0.23737189510741 0.76481869051056 15.999 > 10 39 O 0.09086971048366 0.73737189510740 0.76481869051056 15.999 > 10 40 O 0.59086971048366 0.73737189510740 0.76481869051056 15.999 > 10 41 O 0.09086971048366 0.01262810489260 0.26481869051056 15.999 > 11 42 O 0.59086971048366 0.01262810489260 0.26481869051056 15.999 > 11 43 O 0.09086971048366 0.51262810489260 0.26481869051056 15.999 > 11 44 O 0.59086971048366 0.51262810489260 0.26481869051056 15.999 > 11 45 O 0.40913028951634 0.26262810489260 0.23518130948944 15.999 > 12 46 O 0.90913028951634 0.26262810489260 0.23518130948944 15.999 > 12 47 O 0.40913028951634 0.76262810489260 0.23518130948944 15.999 > 12 48 O 0.90913028951634 0.76262810489260 0.23518130948944 15.999 > 12 *49 Sr 0.37061261817667 0.26910715810995 0.75050407844315 87.620 > 13 50 Sr 0.87061261817667 0.26910715810995 0.75050407844315 87.620 > 13 51 Sr 0.37061261817667 0.76910715810995 0.75050407844315 87.620 > 13 52 Sr 0.87061261817667 0.76910715810995 0.75050407844315 87.620 > 13 53 Sr 0.12938738182333 0.01910715810995 0.74949592155685 87.620 > 14 54 Sr 0.62938738182333 0.01910715810995 0.74949592155685 87.620 > 14 55 Sr 0.12938738182333 0.51910715810995 0.74949592155685 87.620 > 14 56 Sr 0.62938738182333 0.51910715810995 0.74949592155685 87.620 > 14 57 Sr 0.37061261817667 0.48089284189005 0.25050407844315 87.620 > 15 58 Sr 0.87061261817667 0.48089284189005 0.25050407844315 87.620 > 15 59 Sr 0.37061261817667 0.98089284189005 0.25050407844315 87.620 > 15 60 Sr 0.87061261817667 0.98089284189005 0.25050407844315 87.620 > 15 61 Sr 0.12938738182333 0.23089284189005 0.24949592155685 87.620 > 16 62 Sr 0.62938738182333 0.23089284189005 0.24949592155685 87.620 > 16 63 Sr 0.12938738182333 0.73089284189005 0.24949592155685 87.620 > 16 64 Sr 0.62938738182333 0.73089284189005 0.24949592155685 87.620 > 16 *65 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 17 66 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 17 67 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 17 68 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 17 69 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 18 70 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 18 71 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 18 72 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 18 *73 Ta 0.25000000000000 0.25000000000000 0.00000000000000 180.948 > 19 74 Ta 0.75000000000000 0.25000000000000 0.00000000000000 180.948 > 19 75 Ta 0.25000000000000 0.75000000000000 0.00000000000000 180.948 > 19 76 Ta 0.75000000000000 0.75000000000000 0.00000000000000 180.948 > 19 77 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 20 78 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 20 79 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 20 80 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4578296 0.0000000 -0.0143223 0.0000000 4.4810110 0.0000000 -0.0143210 0.0000000 4.4153318 -------------------------- Born effective charges -------------------------- 1 O -2.8668997 1.2112882 0.1559813 1.2679089 -3.3726961 -0.2564641 0.1803067 -0.2789759 -1.8504001 2 O -2.8668997 -1.2112882 0.1559813 -1.2679089 -3.3726961 0.2564641 0.1803067 0.2789759 -1.8504001 3 O -2.8668997 1.2112882 0.1559813 1.2679089 -3.3726961 -0.2564641 0.1803067 -0.2789759 -1.8504001 4 O -2.8668997 -1.2112882 0.1559813 -1.2679089 -3.3726961 0.2564641 0.1803067 0.2789759 -1.8504001 5 O -3.2751150 -1.2452507 0.1545653 -1.2359996 -2.9647124 0.0753517 0.1841302 0.0649155 -1.8359978 6 O -3.2751150 1.2452507 0.1545653 1.2359996 -2.9647124 -0.0753517 0.1841302 -0.0649155 -1.8359978 7 O -3.2751150 -1.2452507 0.1545653 -1.2359996 -2.9647124 0.0753517 0.1841302 0.0649155 -1.8359978 8 O -3.2751150 1.2452507 0.1545653 1.2359996 -2.9647124 -0.0753517 0.1841302 -0.0649155 -1.8359978 9 O -1.9916050 -0.0321279 -0.3210913 -0.0911667 -1.7561801 0.1101490 -0.2954726 0.1044109 -4.3350903 10 O -1.9916050 0.0321279 -0.3210913 0.0911667 -1.7561801 -0.1101490 -0.2954726 -0.1044109 -4.3350903 11 O -1.9916050 -0.0321279 -0.3210913 -0.0911667 -1.7561801 0.1101490 -0.2954726 0.1044109 -4.3350903 12 O -1.9916050 0.0321279 -0.3210913 0.0911667 -1.7561801 -0.1101490 -0.2954726 -0.1044109 -4.3350903 13 Sr 2.5523492 0.1289237 -0.0543869 0.1479266 2.4860189 -0.0401825 0.0240460 -0.0785344 2.4344894 14 Sr 2.5523492 -0.1289237 -0.0543869 -0.1479266 2.4860189 0.0401825 0.0240460 0.0785344 2.4344894 15 Sr 2.5523492 -0.1289237 -0.0543869 -0.1479266 2.4860189 0.0401825 0.0240460 0.0785344 2.4344894 16 Sr 2.5523492 0.1289237 -0.0543869 0.1479266 2.4860189 -0.0401825 0.0240460 -0.0785344 2.4344894 17 Y 4.5170871 -0.3267150 0.4960274 0.2153444 4.5622686 0.0739113 -0.3594947 0.1715487 4.5275196 18 Y 4.5170871 0.3267150 0.4960274 -0.2153444 4.5622686 -0.0739113 -0.3594947 -0.1715487 4.5275196 19 Ta 6.6454540 0.2674254 -0.3661642 -0.0531505 6.6528707 0.0992737 0.1734739 0.1338773 6.6464777 20 Ta 6.6454540 -0.2674254 -0.3661642 0.0531505 6.6528707 -0.0992737 0.1734739 -0.1338773 6.6464777 ---------------------------------------------------------------------------- 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, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.212 Solver_block: 200 / 640 - Time: 2.217 Solver_block: 300 / 640 - Time: 2.210 Solver_block: 400 / 640 - Time: 2.215 Solver_block: 500 / 640 - Time: 2.209 Solver_block: 600 / 640 - Time: 2.208 Solver_block: 640 / 640 - Time: 0.946 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.264 --------------------------------- 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, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:04:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:04:08]------------------------- 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 5.779812950196254 0.000000000000000 0.000000000000000 b 0.000000000000000 5.867677520000001 0.000000000000000 c -5.749025418450607 0.000000000000000 8.210628336566407 Atomic positions (fractional): 1 O 0.35142558504299 0.27506140113025 0.54639342514855 15.999 2 O 0.64857441495701 0.77506140113025 0.95360657485145 15.999 3 O 0.64857441495701 0.72493859886975 0.45360657485145 15.999 4 O 0.35142558504299 0.22493859886975 0.04639342514855 15.999 5 O 0.26757531116402 0.80232084291767 0.54220001368701 15.999 6 O 0.73242468883598 0.30232084291767 0.95779998631299 15.999 7 O 0.73242468883598 0.19767915708233 0.45779998631299 15.999 8 O 0.26757531116402 0.69767915708233 0.04220001368702 15.999 9 O 0.81826057903267 0.97474379021481 0.73518130948944 15.999 10 O 0.18173942096733 0.47474379021481 0.76481869051056 15.999 11 O 0.18173942096733 0.02525620978519 0.26481869051056 15.999 12 O 0.81826057903267 0.52525620978519 0.23518130948944 15.999 13 Sr 0.74122523635334 0.53821431621990 0.75050407844315 87.620 14 Sr 0.25877476364666 0.03821431621990 0.74949592155685 87.620 15 Sr 0.74122523635334 0.96178568378010 0.25050407844315 87.620 16 Sr 0.25877476364666 0.46178568378010 0.24949592155685 87.620 17 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 18 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.559625900392508 0.000000000000000 0.000000000000000 b 0.000000000000000 11.735355040000002 0.000000000000000 c -5.749025418450607 0.000000000000000 8.210628336566407 Atomic positions (fractional): 1 O 0.17571279252149 0.13753070056513 0.54639342514855 15.999 > 1 2 O 0.67571279252149 0.13753070056513 0.54639342514855 15.999 > 1 3 O 0.17571279252149 0.63753070056513 0.54639342514855 15.999 > 1 4 O 0.67571279252149 0.63753070056513 0.54639342514855 15.999 > 1 5 O 0.32428720747851 0.38753070056513 0.95360657485145 15.999 > 5 6 O 0.82428720747851 0.38753070056513 0.95360657485145 15.999 > 5 7 O 0.32428720747851 0.88753070056513 0.95360657485145 15.999 > 5 8 O 0.82428720747851 0.88753070056513 0.95360657485145 15.999 > 5 9 O 0.32428720747851 0.36246929943487 0.45360657485145 15.999 > 9 10 O 0.82428720747851 0.36246929943487 0.45360657485145 15.999 > 9 11 O 0.32428720747851 0.86246929943487 0.45360657485145 15.999 > 9 12 O 0.82428720747851 0.86246929943487 0.45360657485145 15.999 > 9 13 O 0.17571279252149 0.11246929943487 0.04639342514855 15.999 > 13 14 O 0.67571279252149 0.11246929943487 0.04639342514855 15.999 > 13 15 O 0.17571279252149 0.61246929943487 0.04639342514855 15.999 > 13 16 O 0.67571279252149 0.61246929943487 0.04639342514855 15.999 > 13 17 O 0.13378765558201 0.40116042145884 0.54220001368701 15.999 > 17 18 O 0.63378765558201 0.40116042145884 0.54220001368701 15.999 > 17 19 O 0.13378765558201 0.90116042145884 0.54220001368701 15.999 > 17 20 O 0.63378765558201 0.90116042145884 0.54220001368701 15.999 > 17 21 O 0.36621234441799 0.15116042145884 0.95779998631299 15.999 > 21 22 O 0.86621234441799 0.15116042145884 0.95779998631299 15.999 > 21 23 O 0.36621234441799 0.65116042145884 0.95779998631299 15.999 > 21 24 O 0.86621234441799 0.65116042145884 0.95779998631299 15.999 > 21 25 O 0.36621234441799 0.09883957854116 0.45779998631299 15.999 > 25 26 O 0.86621234441799 0.09883957854116 0.45779998631299 15.999 > 25 27 O 0.36621234441799 0.59883957854116 0.45779998631299 15.999 > 25 28 O 0.86621234441799 0.59883957854116 0.45779998631299 15.999 > 25 29 O 0.13378765558201 0.34883957854116 0.04220001368702 15.999 > 29 30 O 0.63378765558201 0.34883957854116 0.04220001368702 15.999 > 29 31 O 0.13378765558201 0.84883957854116 0.04220001368702 15.999 > 29 32 O 0.63378765558201 0.84883957854116 0.04220001368702 15.999 > 29 33 O 0.40913028951634 0.48737189510740 0.73518130948944 15.999 > 33 34 O 0.90913028951634 0.48737189510740 0.73518130948944 15.999 > 33 35 O 0.40913028951634 0.98737189510740 0.73518130948944 15.999 > 33 36 O 0.90913028951634 0.98737189510740 0.73518130948944 15.999 > 33 37 O 0.09086971048366 0.23737189510741 0.76481869051056 15.999 > 37 38 O 0.59086971048366 0.23737189510741 0.76481869051056 15.999 > 37 39 O 0.09086971048366 0.73737189510740 0.76481869051056 15.999 > 37 40 O 0.59086971048366 0.73737189510740 0.76481869051056 15.999 > 37 41 O 0.09086971048366 0.01262810489260 0.26481869051056 15.999 > 41 42 O 0.59086971048366 0.01262810489260 0.26481869051056 15.999 > 41 43 O 0.09086971048366 0.51262810489260 0.26481869051056 15.999 > 41 44 O 0.59086971048366 0.51262810489260 0.26481869051056 15.999 > 41 45 O 0.40913028951634 0.26262810489260 0.23518130948944 15.999 > 45 46 O 0.90913028951634 0.26262810489260 0.23518130948944 15.999 > 45 47 O 0.40913028951634 0.76262810489260 0.23518130948944 15.999 > 45 48 O 0.90913028951634 0.76262810489260 0.23518130948944 15.999 > 45 49 Sr 0.37061261817667 0.26910715810995 0.75050407844315 87.620 > 49 50 Sr 0.87061261817667 0.26910715810995 0.75050407844315 87.620 > 49 51 Sr 0.37061261817667 0.76910715810995 0.75050407844315 87.620 > 49 52 Sr 0.87061261817667 0.76910715810995 0.75050407844315 87.620 > 49 53 Sr 0.12938738182333 0.01910715810995 0.74949592155685 87.620 > 53 54 Sr 0.62938738182333 0.01910715810995 0.74949592155685 87.620 > 53 55 Sr 0.12938738182333 0.51910715810995 0.74949592155685 87.620 > 53 56 Sr 0.62938738182333 0.51910715810995 0.74949592155685 87.620 > 53 57 Sr 0.37061261817667 0.48089284189005 0.25050407844315 87.620 > 57 58 Sr 0.87061261817667 0.48089284189005 0.25050407844315 87.620 > 57 59 Sr 0.37061261817667 0.98089284189005 0.25050407844315 87.620 > 57 60 Sr 0.87061261817667 0.98089284189005 0.25050407844315 87.620 > 57 61 Sr 0.12938738182333 0.23089284189005 0.24949592155685 87.620 > 61 62 Sr 0.62938738182333 0.23089284189005 0.24949592155685 87.620 > 61 63 Sr 0.12938738182333 0.73089284189005 0.24949592155685 87.620 > 61 64 Sr 0.62938738182333 0.73089284189005 0.24949592155685 87.620 > 61 65 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 65 66 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 65 67 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 65 68 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 65 69 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 69 70 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 69 71 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 69 72 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 69 73 Ta 0.25000000000000 0.25000000000000 0.00000000000000 180.948 > 73 74 Ta 0.75000000000000 0.25000000000000 0.00000000000000 180.948 > 73 75 Ta 0.25000000000000 0.75000000000000 0.00000000000000 180.948 > 73 76 Ta 0.75000000000000 0.75000000000000 0.00000000000000 180.948 > 73 77 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 77 78 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 77 79 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 77 80 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4578296 0.0000000 -0.0143223 0.0000000 4.4810110 0.0000000 -0.0143210 0.0000000 4.4153318 -------------------------- Born effective charges -------------------------- 1 O -2.8668997 1.2112882 0.1559813 1.2679089 -3.3726961 -0.2564641 0.1803067 -0.2789759 -1.8504001 2 O -2.8668997 -1.2112882 0.1559813 -1.2679089 -3.3726961 0.2564641 0.1803067 0.2789759 -1.8504001 3 O -2.8668997 1.2112882 0.1559813 1.2679089 -3.3726961 -0.2564641 0.1803067 -0.2789759 -1.8504001 4 O -2.8668997 -1.2112882 0.1559813 -1.2679089 -3.3726961 0.2564641 0.1803067 0.2789759 -1.8504001 5 O -3.2751150 -1.2452507 0.1545653 -1.2359996 -2.9647124 0.0753517 0.1841302 0.0649155 -1.8359978 6 O -3.2751150 1.2452507 0.1545653 1.2359996 -2.9647124 -0.0753517 0.1841302 -0.0649155 -1.8359978 7 O -3.2751150 -1.2452507 0.1545653 -1.2359996 -2.9647124 0.0753517 0.1841302 0.0649155 -1.8359978 8 O -3.2751150 1.2452507 0.1545653 1.2359996 -2.9647124 -0.0753517 0.1841302 -0.0649155 -1.8359978 9 O -1.9916050 -0.0321279 -0.3210913 -0.0911667 -1.7561801 0.1101490 -0.2954726 0.1044109 -4.3350903 10 O -1.9916050 0.0321279 -0.3210913 0.0911667 -1.7561801 -0.1101490 -0.2954726 -0.1044109 -4.3350903 11 O -1.9916050 -0.0321279 -0.3210913 -0.0911667 -1.7561801 0.1101490 -0.2954726 0.1044109 -4.3350903 12 O -1.9916050 0.0321279 -0.3210913 0.0911667 -1.7561801 -0.1101490 -0.2954726 -0.1044109 -4.3350903 13 Sr 2.5523492 0.1289237 -0.0543869 0.1479266 2.4860189 -0.0401825 0.0240460 -0.0785344 2.4344894 14 Sr 2.5523492 -0.1289237 -0.0543869 -0.1479266 2.4860189 0.0401825 0.0240460 0.0785344 2.4344894 15 Sr 2.5523492 -0.1289237 -0.0543869 -0.1479266 2.4860189 0.0401825 0.0240460 0.0785344 2.4344894 16 Sr 2.5523492 0.1289237 -0.0543869 0.1479266 2.4860189 -0.0401825 0.0240460 -0.0785344 2.4344894 17 Y 4.5170871 -0.3267150 0.4960274 0.2153444 4.5622686 0.0739113 -0.3594947 0.1715487 4.5275196 18 Y 4.5170871 0.3267150 0.4960274 -0.2153444 4.5622686 -0.0739113 -0.3594947 -0.1715487 4.5275196 19 Ta 6.6454540 0.2674254 -0.3661642 -0.0531505 6.6528707 0.0992737 0.1734739 0.1338773 6.6464777 20 Ta 6.6454540 -0.2674254 -0.3661642 0.0531505 6.6528707 -0.0992737 0.1734739 -0.1338773 6.6464777 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 73, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000018 (zx) 0.00000018 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:04:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:04:24]------------------------- 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 5.779812950196254 0.000000000000000 0.000000000000000 b 0.000000000000000 5.867677520000001 0.000000000000000 c -5.749025418450607 0.000000000000000 8.210628336566407 Atomic positions (fractional): 1 O 0.35142558504299 0.27506140113025 0.54639342514855 15.999 2 O 0.64857441495701 0.77506140113025 0.95360657485145 15.999 3 O 0.64857441495701 0.72493859886975 0.45360657485145 15.999 4 O 0.35142558504299 0.22493859886975 0.04639342514855 15.999 5 O 0.26757531116402 0.80232084291767 0.54220001368701 15.999 6 O 0.73242468883598 0.30232084291767 0.95779998631299 15.999 7 O 0.73242468883598 0.19767915708233 0.45779998631299 15.999 8 O 0.26757531116402 0.69767915708233 0.04220001368702 15.999 9 O 0.81826057903267 0.97474379021481 0.73518130948944 15.999 10 O 0.18173942096733 0.47474379021481 0.76481869051056 15.999 11 O 0.18173942096733 0.02525620978519 0.26481869051056 15.999 12 O 0.81826057903267 0.52525620978519 0.23518130948944 15.999 13 Sr 0.74122523635334 0.53821431621990 0.75050407844315 87.620 14 Sr 0.25877476364666 0.03821431621990 0.74949592155685 87.620 15 Sr 0.74122523635334 0.96178568378010 0.25050407844315 87.620 16 Sr 0.25877476364666 0.46178568378010 0.24949592155685 87.620 17 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 18 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.559625900392508 0.000000000000000 0.000000000000000 b 0.000000000000000 11.735355040000002 0.000000000000000 c -5.749025418450607 0.000000000000000 8.210628336566407 Atomic positions (fractional): 1 O 0.17571279252149 0.13753070056513 0.54639342514855 15.999 > 1 2 O 0.67571279252149 0.13753070056513 0.54639342514855 15.999 > 1 3 O 0.17571279252149 0.63753070056513 0.54639342514855 15.999 > 1 4 O 0.67571279252149 0.63753070056513 0.54639342514855 15.999 > 1 5 O 0.32428720747851 0.38753070056513 0.95360657485145 15.999 > 5 6 O 0.82428720747851 0.38753070056513 0.95360657485145 15.999 > 5 7 O 0.32428720747851 0.88753070056513 0.95360657485145 15.999 > 5 8 O 0.82428720747851 0.88753070056513 0.95360657485145 15.999 > 5 9 O 0.32428720747851 0.36246929943487 0.45360657485145 15.999 > 9 10 O 0.82428720747851 0.36246929943487 0.45360657485145 15.999 > 9 11 O 0.32428720747851 0.86246929943487 0.45360657485145 15.999 > 9 12 O 0.82428720747851 0.86246929943487 0.45360657485145 15.999 > 9 13 O 0.17571279252149 0.11246929943487 0.04639342514855 15.999 > 13 14 O 0.67571279252149 0.11246929943487 0.04639342514855 15.999 > 13 15 O 0.17571279252149 0.61246929943487 0.04639342514855 15.999 > 13 16 O 0.67571279252149 0.61246929943487 0.04639342514855 15.999 > 13 17 O 0.13378765558201 0.40116042145884 0.54220001368701 15.999 > 17 18 O 0.63378765558201 0.40116042145884 0.54220001368701 15.999 > 17 19 O 0.13378765558201 0.90116042145884 0.54220001368701 15.999 > 17 20 O 0.63378765558201 0.90116042145884 0.54220001368701 15.999 > 17 21 O 0.36621234441799 0.15116042145884 0.95779998631299 15.999 > 21 22 O 0.86621234441799 0.15116042145884 0.95779998631299 15.999 > 21 23 O 0.36621234441799 0.65116042145884 0.95779998631299 15.999 > 21 24 O 0.86621234441799 0.65116042145884 0.95779998631299 15.999 > 21 25 O 0.36621234441799 0.09883957854116 0.45779998631299 15.999 > 25 26 O 0.86621234441799 0.09883957854116 0.45779998631299 15.999 > 25 27 O 0.36621234441799 0.59883957854116 0.45779998631299 15.999 > 25 28 O 0.86621234441799 0.59883957854116 0.45779998631299 15.999 > 25 29 O 0.13378765558201 0.34883957854116 0.04220001368702 15.999 > 29 30 O 0.63378765558201 0.34883957854116 0.04220001368702 15.999 > 29 31 O 0.13378765558201 0.84883957854116 0.04220001368702 15.999 > 29 32 O 0.63378765558201 0.84883957854116 0.04220001368702 15.999 > 29 33 O 0.40913028951634 0.48737189510740 0.73518130948944 15.999 > 33 34 O 0.90913028951634 0.48737189510740 0.73518130948944 15.999 > 33 35 O 0.40913028951634 0.98737189510740 0.73518130948944 15.999 > 33 36 O 0.90913028951634 0.98737189510740 0.73518130948944 15.999 > 33 37 O 0.09086971048366 0.23737189510741 0.76481869051056 15.999 > 37 38 O 0.59086971048366 0.23737189510741 0.76481869051056 15.999 > 37 39 O 0.09086971048366 0.73737189510740 0.76481869051056 15.999 > 37 40 O 0.59086971048366 0.73737189510740 0.76481869051056 15.999 > 37 41 O 0.09086971048366 0.01262810489260 0.26481869051056 15.999 > 41 42 O 0.59086971048366 0.01262810489260 0.26481869051056 15.999 > 41 43 O 0.09086971048366 0.51262810489260 0.26481869051056 15.999 > 41 44 O 0.59086971048366 0.51262810489260 0.26481869051056 15.999 > 41 45 O 0.40913028951634 0.26262810489260 0.23518130948944 15.999 > 45 46 O 0.90913028951634 0.26262810489260 0.23518130948944 15.999 > 45 47 O 0.40913028951634 0.76262810489260 0.23518130948944 15.999 > 45 48 O 0.90913028951634 0.76262810489260 0.23518130948944 15.999 > 45 49 Sr 0.37061261817667 0.26910715810995 0.75050407844315 87.620 > 49 50 Sr 0.87061261817667 0.26910715810995 0.75050407844315 87.620 > 49 51 Sr 0.37061261817667 0.76910715810995 0.75050407844315 87.620 > 49 52 Sr 0.87061261817667 0.76910715810995 0.75050407844315 87.620 > 49 53 Sr 0.12938738182333 0.01910715810995 0.74949592155685 87.620 > 53 54 Sr 0.62938738182333 0.01910715810995 0.74949592155685 87.620 > 53 55 Sr 0.12938738182333 0.51910715810995 0.74949592155685 87.620 > 53 56 Sr 0.62938738182333 0.51910715810995 0.74949592155685 87.620 > 53 57 Sr 0.37061261817667 0.48089284189005 0.25050407844315 87.620 > 57 58 Sr 0.87061261817667 0.48089284189005 0.25050407844315 87.620 > 57 59 Sr 0.37061261817667 0.98089284189005 0.25050407844315 87.620 > 57 60 Sr 0.87061261817667 0.98089284189005 0.25050407844315 87.620 > 57 61 Sr 0.12938738182333 0.23089284189005 0.24949592155685 87.620 > 61 62 Sr 0.62938738182333 0.23089284189005 0.24949592155685 87.620 > 61 63 Sr 0.12938738182333 0.73089284189005 0.24949592155685 87.620 > 61 64 Sr 0.62938738182333 0.73089284189005 0.24949592155685 87.620 > 61 65 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 65 66 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 65 67 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 65 68 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 65 69 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 69 70 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 69 71 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 69 72 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 69 73 Ta 0.25000000000000 0.25000000000000 0.00000000000000 180.948 > 73 74 Ta 0.75000000000000 0.25000000000000 0.00000000000000 180.948 > 73 75 Ta 0.25000000000000 0.75000000000000 0.00000000000000 180.948 > 73 76 Ta 0.75000000000000 0.75000000000000 0.00000000000000 180.948 > 73 77 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 77 78 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 77 79 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 77 80 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4578296 0.0000000 -0.0143223 0.0000000 4.4810110 0.0000000 -0.0143210 0.0000000 4.4153318 -------------------------- Born effective charges -------------------------- 1 O -2.8668997 1.2112882 0.1559813 1.2679089 -3.3726961 -0.2564641 0.1803067 -0.2789759 -1.8504001 2 O -2.8668997 -1.2112882 0.1559813 -1.2679089 -3.3726961 0.2564641 0.1803067 0.2789759 -1.8504001 3 O -2.8668997 1.2112882 0.1559813 1.2679089 -3.3726961 -0.2564641 0.1803067 -0.2789759 -1.8504001 4 O -2.8668997 -1.2112882 0.1559813 -1.2679089 -3.3726961 0.2564641 0.1803067 0.2789759 -1.8504001 5 O -3.2751150 -1.2452507 0.1545653 -1.2359996 -2.9647124 0.0753517 0.1841302 0.0649155 -1.8359978 6 O -3.2751150 1.2452507 0.1545653 1.2359996 -2.9647124 -0.0753517 0.1841302 -0.0649155 -1.8359978 7 O -3.2751150 -1.2452507 0.1545653 -1.2359996 -2.9647124 0.0753517 0.1841302 0.0649155 -1.8359978 8 O -3.2751150 1.2452507 0.1545653 1.2359996 -2.9647124 -0.0753517 0.1841302 -0.0649155 -1.8359978 9 O -1.9916050 -0.0321279 -0.3210913 -0.0911667 -1.7561801 0.1101490 -0.2954726 0.1044109 -4.3350903 10 O -1.9916050 0.0321279 -0.3210913 0.0911667 -1.7561801 -0.1101490 -0.2954726 -0.1044109 -4.3350903 11 O -1.9916050 -0.0321279 -0.3210913 -0.0911667 -1.7561801 0.1101490 -0.2954726 0.1044109 -4.3350903 12 O -1.9916050 0.0321279 -0.3210913 0.0911667 -1.7561801 -0.1101490 -0.2954726 -0.1044109 -4.3350903 13 Sr 2.5523492 0.1289237 -0.0543869 0.1479266 2.4860189 -0.0401825 0.0240460 -0.0785344 2.4344894 14 Sr 2.5523492 -0.1289237 -0.0543869 -0.1479266 2.4860189 0.0401825 0.0240460 0.0785344 2.4344894 15 Sr 2.5523492 -0.1289237 -0.0543869 -0.1479266 2.4860189 0.0401825 0.0240460 0.0785344 2.4344894 16 Sr 2.5523492 0.1289237 -0.0543869 0.1479266 2.4860189 -0.0401825 0.0240460 -0.0785344 2.4344894 17 Y 4.5170871 -0.3267150 0.4960274 0.2153444 4.5622686 0.0739113 -0.3594947 0.1715487 4.5275196 18 Y 4.5170871 0.3267150 0.4960274 -0.2153444 4.5622686 -0.0739113 -0.3594947 -0.1715487 4.5275196 19 Ta 6.6454540 0.2674254 -0.3661642 -0.0531505 6.6528707 0.0992737 0.1734739 0.1338773 6.6464777 20 Ta 6.6454540 -0.2674254 -0.3661642 0.0531505 6.6528707 -0.0992737 0.1734739 -0.1338773 6.6464777 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 9 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: 0.64, Number of G-points: 319, Lambda: 0.14 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 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 2.515 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.708 ( 0.000 0.000 0.000) 0.000 11.093 ( 0.000 0.000 0.000) 0.000 11.826 ( 0.000 0.000 0.000) 0.000 12.157 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 0.000) 0.000 15.027 ( 0.000 0.000 0.000) 0.000 15.253 ( 0.000 0.000 0.000) 0.000 15.347 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000 15.840 ( 0.000 0.000 0.000) 0.000 16.985 ( 0.000 0.000 0.000) 0.000 17.087 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 20.971 ( 0.000 0.000 0.000) 0.000 23.236 ( 0.000 0.000 0.000) 0.000 23.636 ( 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 11.932 0.000 32.398) 34.525 0.708 ( 29.111 0.000 20.411) 35.554 1.141 ( 50.459 0.000 29.242) 58.320 2.556 ( 6.213 0.000 -2.979) 6.891 2.809 ( -1.759 0.000 2.350) 2.935 2.919 ( -2.043 0.000 -5.475) 5.844 2.949 ( 1.252 0.000 -12.459) 12.521 3.172 ( 1.937 0.000 -6.891) 7.158 3.288 ( -11.528 0.000 -8.795) 14.499 3.383 ( 1.203 0.000 13.654) 13.707 3.539 ( -15.443 0.000 6.959) 16.939 3.628 ( -4.453 0.000 17.221) 17.788 3.713 ( -3.029 0.000 -0.901) 3.160 3.883 ( -10.270 0.000 21.234) 23.587 4.182 ( -2.208 0.000 -1.448) 2.641 4.313 ( 1.625 0.000 -4.438) 4.726 4.358 ( -1.319 0.000 -8.123) 8.229 4.509 ( 1.489 0.000 2.720) 3.101 4.628 ( 5.400 0.000 -2.937) 6.147 4.988 ( 3.549 0.000 4.718) 5.904 5.208 ( -14.125 0.000 -7.666) 16.071 5.482 ( 12.144 0.000 -0.750) 12.167 6.011 ( 15.524 0.000 2.217) 15.681 6.025 ( -0.620 0.000 -2.492) 2.568 6.196 ( 2.450 0.000 -0.348) 2.474 6.442 ( 8.689 0.000 2.463) 9.031 6.621 ( -8.498 0.000 -1.140) 8.574 6.887 ( 4.161 0.000 6.648) 7.843 6.944 ( -5.543 0.000 6.064) 8.216 7.145 ( 7.614 0.000 -11.928) 14.151 7.156 ( -3.624 0.000 -1.843) 4.066 7.590 ( 8.056 0.000 0.970) 8.114 7.822 ( 3.769 0.000 1.967) 4.252 8.169 ( 4.930 0.000 1.968) 5.309 8.257 ( -1.518 0.000 0.772) 1.703 8.754 ( 4.399 0.000 1.343) 4.599 9.061 ( -7.103 0.000 9.067) 11.518 9.271 ( -2.983 0.000 1.369) 3.282 9.833 ( -5.677 0.000 -23.302) 23.984 10.499 ( 3.550 0.000 18.861) 19.192 10.626 ( -2.319 0.000 -14.353) 14.539 11.057 ( -10.724 0.000 11.941) 16.049 11.723 ( -8.860 0.000 -3.143) 9.401 12.133 ( -2.171 0.000 -1.979) 2.937 12.313 ( 7.029 0.000 -7.194) 10.057 12.468 ( 20.464 0.000 -14.624) 25.152 12.828 ( 9.327 0.000 -1.426) 9.435 13.098 ( 0.543 0.000 -3.273) 3.317 15.078 ( 3.181 0.000 3.149) 4.476 15.291 ( 4.302 0.000 -0.291) 4.311 15.426 ( 4.985 0.000 6.941) 8.545 15.777 ( -2.292 0.000 8.464) 8.769 15.811 ( 4.661 0.000 1.658) 4.947 16.964 ( -1.865 0.000 -1.095) 2.163 17.060 ( -3.544 0.000 0.069) 3.545 17.258 ( -1.741 0.000 -1.059) 2.038 20.810 ( 3.681 0.000 0.603) 3.730 21.007 ( 5.259 0.000 -1.313) 5.420 23.235 ( -0.352 0.000 0.111) 0.369 23.610 ( -1.027 0.000 -3.105) 3.271 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 14.331 0.000 28.004) 31.458 1.344 ( 24.294 0.000 18.107) 30.300 2.187 ( 40.353 0.000 26.052) 48.032 2.562 ( 1.798 0.000 -12.656) 12.784 2.780 ( -1.385 0.000 -0.020) 1.385 2.823 ( -1.641 0.000 -4.504) 4.794 2.885 ( 6.815 0.000 -11.780) 13.609 3.034 ( -10.681 0.000 0.123) 10.682 3.072 ( 0.085 0.000 -10.645) 10.646 3.312 ( -21.394 0.000 6.345) 22.316 3.566 ( -1.980 0.000 11.649) 11.816 3.650 ( -2.688 0.000 0.783) 2.800 3.767 ( -6.475 0.000 22.177) 23.103 3.979 ( -1.694 0.000 12.054) 12.172 4.099 ( -3.464 0.000 -5.747) 6.710 4.195 ( -7.569 0.000 -4.060) 8.589 4.275 ( 3.121 0.000 -4.770) 5.700 4.625 ( 8.797 0.000 0.849) 8.838 4.712 ( 6.814 0.000 -0.298) 6.820 4.887 ( -13.483 0.000 -6.714) 15.062 5.158 ( 7.840 0.000 9.028) 11.957 5.681 ( 13.292 0.000 -1.024) 13.332 5.806 ( -10.894 0.000 -13.646) 17.462 6.245 ( 10.850 0.000 -0.153) 10.851 6.346 ( 2.831 0.000 9.964) 10.358 6.517 ( -2.485 0.000 -0.800) 2.610 6.717 ( 18.455 0.000 6.611) 19.603 6.874 ( -8.129 0.000 4.444) 9.265 6.997 ( -4.841 0.000 3.705) 6.096 7.036 ( -2.566 0.000 -2.680) 3.710 7.130 ( 8.452 0.000 -14.981) 17.201 7.737 ( 9.654 0.000 -2.259) 9.915 7.983 ( 9.100 0.000 8.179) 12.235 8.247 ( -1.163 0.000 2.129) 2.426 8.260 ( 4.956 0.000 -0.843) 5.027 8.898 ( 11.635 0.000 2.731) 11.951 9.037 ( -3.579 0.000 1.611) 3.925 9.237 ( -6.028 0.000 4.798) 7.704 9.527 ( -0.718 0.000 -19.883) 19.896 10.295 ( -11.762 0.000 -22.736) 25.599 10.710 ( -0.053 0.000 13.994) 13.994 11.070 ( -9.535 0.000 18.593) 20.895 11.536 ( -8.214 0.000 -5.037) 9.636 12.047 ( -3.364 0.000 -5.080) 6.093 12.385 ( 5.720 0.000 0.827) 5.779 12.664 ( 15.969 0.000 -2.657) 16.189 12.945 ( 7.258 0.000 -4.218) 8.394 13.069 ( 2.905 0.000 -5.031) 5.810 15.202 ( 7.979 0.000 3.157) 8.581 15.375 ( 7.703 0.000 -1.544) 7.856 15.617 ( 6.515 0.000 8.792) 10.943 15.856 ( 5.270 0.000 1.327) 5.434 15.971 ( 10.318 0.000 6.763) 12.337 16.904 ( -3.803 0.000 -1.631) 4.138 16.977 ( -7.030 0.000 0.174) 7.032 17.199 ( -3.607 0.000 -1.973) 4.111 20.903 ( 6.473 0.000 1.430) 6.629 21.099 ( 8.767 0.000 -2.467) 9.107 23.227 ( -0.809 0.000 0.086) 0.813 23.537 ( -2.209 0.000 -5.514) 5.940 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 15.220 0.000 21.605) 26.427 1.861 ( 17.910 0.000 15.041) 23.388 2.378 ( -2.688 0.000 -12.537) 12.821 2.564 ( -1.854 0.000 -3.211) 3.708 2.734 ( -4.516 0.000 -5.064) 6.785 2.828 ( 0.605 0.000 -9.861) 9.879 2.968 ( -6.268 0.000 4.069) 7.473 3.001 ( 2.283 0.000 -3.921) 4.538 3.069 ( -14.280 0.000 6.614) 15.737 3.125 ( 21.427 0.000 12.877) 24.999 3.430 ( -20.841 0.000 -2.602) 21.003 3.644 ( 4.720 0.000 5.282) 7.084 3.827 ( -8.619 0.000 4.961) 9.944 4.020 ( -0.937 0.000 2.501) 2.670 4.131 ( 11.961 0.000 3.976) 12.605 4.224 ( 4.450 0.000 12.182) 12.969 4.322 ( 6.333 0.000 -0.722) 6.374 4.679 ( -7.635 0.000 -0.782) 7.675 4.778 ( 13.958 0.000 -6.316) 15.321 4.816 ( 0.989 0.000 8.044) 8.105 5.393 ( 8.274 0.000 8.477) 11.846 5.470 ( -11.839 0.000 -13.109) 17.664 5.864 ( 9.864 0.000 1.090) 9.924 6.350 ( -5.275 0.000 -0.249) 5.281 6.356 ( 5.820 0.000 -3.204) 6.643 6.515 ( -5.561 0.000 2.892) 6.268 6.757 ( -15.964 0.000 -1.247) 16.012 6.895 ( 3.575 0.000 8.247) 8.988 7.050 ( 3.088 0.000 -16.547) 16.832 7.050 ( 4.644 0.000 -1.383) 4.846 7.115 ( 13.496 0.000 6.519) 14.988 7.817 ( 4.997 0.000 -4.118) 6.475 8.170 ( 0.758 0.000 4.740) 4.801 8.295 ( 2.611 0.000 -3.758) 4.576 8.336 ( 7.250 0.000 8.958) 11.524 8.969 ( -2.597 0.000 -6.461) 6.963 9.161 ( -6.894 0.000 2.990) 7.515 9.165 ( 14.353 0.000 4.511) 15.045 9.455 ( 8.543 0.000 -5.189) 9.995 9.875 ( -6.189 0.000 -20.058) 20.991 10.797 ( -4.686 0.000 8.340) 9.566 11.100 ( -10.369 0.000 10.287) 14.606 11.391 ( -4.980 0.000 1.196) 5.122 11.932 ( -3.277 0.000 -5.542) 6.438 12.491 ( 4.757 0.000 2.911) 5.578 12.891 ( 13.227 0.000 1.240) 13.285 12.925 ( 1.214 0.000 -8.894) 8.976 13.106 ( 5.660 0.000 -3.138) 6.472 15.389 ( 10.881 0.000 3.288) 11.367 15.498 ( 10.225 0.000 -1.864) 10.394 15.796 ( 6.376 0.000 5.338) 8.316 15.962 ( 8.163 0.000 -1.751) 8.348 16.265 ( 12.405 0.000 11.985) 17.249 16.812 ( -5.673 0.000 -1.353) 5.832 16.847 ( -9.642 0.000 0.455) 9.652 17.105 ( -5.055 0.000 -2.479) 5.630 21.037 ( 7.726 0.000 2.072) 7.999 21.215 ( 9.411 0.000 -3.165) 9.929 23.210 ( -1.243 0.000 -0.095) 1.246 23.425 ( -3.236 0.000 -6.513) 7.273 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 8.788 0.000 13.057) 15.739 2.190 ( 5.627 0.000 2.167) 6.030 2.315 ( 7.311 0.000 2.965) 7.889 2.479 ( -1.006 0.000 -4.433) 4.546 2.572 ( -9.702 0.000 -2.835) 10.107 2.728 ( -0.865 0.000 -7.428) 7.479 2.848 ( -6.820 0.000 0.995) 6.892 2.946 ( -7.891 0.000 -6.692) 10.346 3.053 ( -2.427 0.000 5.511) 6.022 3.099 ( -6.522 0.000 -1.411) 6.672 3.253 ( -5.002 0.000 0.902) 5.082 3.676 ( -6.761 0.000 -5.999) 9.039 4.014 ( 17.672 0.000 11.597) 21.137 4.057 ( -1.025 0.000 3.853) 3.987 4.263 ( 0.915 0.000 1.500) 1.757 4.439 ( 7.483 0.000 0.799) 7.526 4.607 ( 20.757 0.000 14.744) 25.460 4.636 ( -0.904 0.000 5.198) 5.276 4.876 ( 5.925 0.000 -4.293) 7.317 4.950 ( 4.239 0.000 7.539) 8.649 5.169 ( -10.196 0.000 -9.359) 13.840 5.572 ( 5.010 0.000 4.672) 6.850 5.999 ( 3.140 0.000 2.070) 3.760 6.260 ( -3.644 0.000 -2.138) 4.225 6.353 ( -2.309 0.000 -0.983) 2.509 6.406 ( -7.516 0.000 -0.276) 7.521 6.530 ( -6.231 0.000 -4.319) 7.582 6.860 ( -3.470 0.000 -15.905) 16.279 7.087 ( 0.544 0.000 3.655) 3.695 7.091 ( 5.582 0.000 9.599) 11.104 7.334 ( 7.204 0.000 0.094) 7.205 7.812 ( 0.725 0.000 -4.421) 4.480 8.185 ( -1.329 0.000 1.583) 2.067 8.265 ( -0.040 0.000 -4.647) 4.647 8.525 ( 3.547 0.000 3.825) 5.217 8.833 ( -3.043 0.000 -7.285) 7.895 9.138 ( -1.187 0.000 2.807) 3.047 9.315 ( 3.540 0.000 1.070) 3.699 9.605 ( 11.470 0.000 1.179) 11.530 9.849 ( 16.198 0.000 -1.953) 16.315 10.752 ( -8.267 0.000 2.933) 8.772 10.936 ( -11.393 0.000 -5.232) 12.537 11.417 ( -3.268 0.000 11.086) 11.558 11.837 ( -1.960 0.000 -3.862) 4.331 12.586 ( 3.230 0.000 2.508) 4.089 12.833 ( 0.408 0.000 -8.896) 8.905 13.086 ( 8.833 0.000 1.904) 9.036 13.146 ( 3.111 0.000 -2.127) 3.769 15.596 ( 10.393 0.000 2.604) 10.714 15.645 ( 10.275 0.000 -1.625) 10.403 15.934 ( 5.217 0.000 2.858) 5.948 16.067 ( 8.022 0.000 -2.489) 8.399 16.564 ( 7.508 0.000 9.314) 11.963 16.699 ( -7.076 0.000 -0.751) 7.116 16.705 ( -7.909 0.000 2.117) 8.187 16.999 ( -4.628 0.000 -2.116) 5.089 21.176 ( 6.570 0.000 2.065) 6.887 21.314 ( 7.091 0.000 -2.857) 7.645 23.188 ( -1.238 0.000 -0.238) 1.260 23.304 ( -3.238 0.000 -5.462) 6.349 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.467 0.000 4.140) 4.166 2.211 ( 1.788 0.000 -1.892) 2.603 2.413 ( -6.294 0.000 -0.320) 6.302 2.450 ( 0.076 0.000 -0.415) 0.422 2.504 ( 4.483 0.000 4.658) 6.465 2.571 ( -5.236 0.000 -6.903) 8.664 2.806 ( -0.006 0.000 -0.240) 0.240 2.872 ( 3.025 0.000 1.075) 3.210 3.062 ( -1.611 0.000 2.206) 2.732 3.082 ( 3.136 0.000 -4.488) 5.475 3.164 ( -7.118 0.000 3.311) 7.850 3.535 ( -3.002 0.000 -3.602) 4.689 4.067 ( -0.539 0.000 0.818) 0.980 4.254 ( -1.201 0.000 -0.054) 1.203 4.303 ( 7.310 0.000 4.106) 8.385 4.546 ( 4.280 0.000 0.272) 4.288 4.703 ( 1.193 0.000 3.819) 4.001 4.888 ( -0.024 0.000 -0.879) 0.880 4.956 ( -4.065 0.000 -5.328) 6.702 5.033 ( 9.752 0.000 9.013) 13.279 5.074 ( 3.408 0.000 2.305) 4.114 5.652 ( 1.003 0.000 1.063) 1.461 5.986 ( -2.868 0.000 0.388) 2.894 6.211 ( -1.336 0.000 0.711) 1.513 6.324 ( -1.034 0.000 -1.262) 1.631 6.327 ( -2.433 0.000 1.889) 3.081 6.474 ( 2.727 0.000 -3.011) 4.062 6.628 ( -5.548 0.000 -8.802) 10.404 7.144 ( -0.129 0.000 4.745) 4.746 7.244 ( 2.627 0.000 4.739) 5.419 7.360 ( 0.845 0.000 -3.683) 3.778 7.763 ( -0.816 0.000 -2.710) 2.830 8.181 ( -0.405 0.000 0.448) 0.604 8.216 ( -0.513 0.000 -2.188) 2.247 8.538 ( -0.600 0.000 -1.082) 1.237 8.745 ( -1.046 0.000 -2.508) 2.717 9.154 ( 0.122 0.000 0.932) 0.940 9.426 ( 4.873 0.000 2.696) 5.569 9.780 ( 6.614 0.000 1.407) 6.762 10.094 ( 9.005 0.000 3.233) 9.568 10.645 ( -5.370 0.000 0.061) 5.371 10.709 ( -6.795 0.000 -5.706) 8.873 11.474 ( -1.632 0.000 5.335) 5.579 11.789 ( -0.565 0.000 -1.295) 1.413 12.641 ( 1.151 0.000 0.955) 1.496 12.763 ( 0.153 0.000 -3.927) 3.930 13.161 ( 0.904 0.000 -0.746) 1.172 13.197 ( 3.104 0.000 0.821) 3.210 15.740 ( 4.484 0.000 0.913) 4.576 15.760 ( 4.996 0.000 -0.724) 5.048 16.014 ( 2.016 0.000 0.918) 2.215 16.152 ( 4.543 0.000 -0.961) 4.644 16.558 ( -4.442 0.000 0.371) 4.457 16.590 ( -4.723 0.000 -0.363) 4.737 16.784 ( 3.121 0.000 4.291) 5.306 16.929 ( -1.784 0.000 -0.778) 1.947 21.270 ( 2.650 0.000 0.915) 2.804 21.368 ( 2.622 0.000 -1.184) 2.877 23.171 ( -0.529 0.000 -0.131) 0.545 23.221 ( -1.429 0.000 -2.182) 2.608 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.000 33.671 0.000) 33.671 0.713 ( 0.000 36.319 0.000) 36.319 1.141 ( 0.000 57.963 0.000) 57.963 2.593 ( 0.000 6.952 0.000) 6.952 2.771 ( 0.000 -3.824 0.000) 3.824 3.002 ( 0.000 -1.994 0.000) 1.994 3.054 ( 0.000 3.909 0.000) 3.909 3.122 ( 0.000 1.878 0.000) 1.878 3.276 ( 0.000 -3.129 0.000) 3.129 3.455 ( 0.000 -2.466 0.000) 2.466 3.521 ( 0.000 -1.638 0.000) 1.638 3.561 ( 0.000 -7.967 0.000) 7.967 3.602 ( 0.000 -6.869 0.000) 6.869 3.769 ( 0.000 5.812 0.000) 5.812 4.101 ( 0.000 -10.204 0.000) 10.204 4.349 ( 0.000 6.473 0.000) 6.473 4.472 ( 0.000 -6.756 0.000) 6.756 4.538 ( 0.000 3.154 0.000) 3.154 4.752 ( 0.000 11.645 0.000) 11.645 4.940 ( 0.000 1.913 0.000) 1.913 5.369 ( 0.000 -1.217 0.000) 1.217 5.639 ( 0.000 0.305 0.000) 0.305 5.930 ( 0.000 4.177 0.000) 4.177 6.043 ( 0.000 4.886 0.000) 4.886 6.081 ( 0.000 3.062 0.000) 3.062 6.279 ( 0.000 8.629 0.000) 8.629 6.519 ( 0.000 -8.508 0.000) 8.508 6.847 ( 0.000 9.244 0.000) 9.244 6.921 ( 0.000 9.093 0.000) 9.093 7.115 ( 0.000 17.788 0.000) 17.788 7.239 ( 0.000 -0.626 0.000) 0.626 7.361 ( 0.000 -0.349 0.000) 0.349 8.087 ( 0.000 -2.135 0.000) 2.135 8.214 ( 0.000 -5.154 0.000) 5.154 8.714 ( 0.000 0.495 0.000) 0.495 8.988 ( 0.000 5.126 0.000) 5.126 9.143 ( 0.000 2.250 0.000) 2.250 9.452 ( 0.000 -1.249 0.000) 1.249 10.043 ( 0.000 -9.671 0.000) 9.671 10.250 ( 0.000 -2.334 0.000) 2.334 10.619 ( 0.000 -5.165 0.000) 5.165 11.130 ( 0.000 3.798 0.000) 3.798 11.508 ( 0.000 7.308 0.000) 7.308 11.868 ( 0.000 4.333 0.000) 4.333 12.103 ( 0.000 -5.511 0.000) 5.511 12.290 ( 0.000 -3.303 0.000) 3.303 12.814 ( 0.000 0.736 0.000) 0.736 13.100 ( 0.000 -1.348 0.000) 1.348 15.145 ( 0.000 11.772 0.000) 11.772 15.333 ( 0.000 0.886 0.000) 0.886 15.575 ( 0.000 0.912 0.000) 0.912 15.733 ( 0.000 0.601 0.000) 0.601 15.879 ( 0.000 4.115 0.000) 4.115 16.996 ( 0.000 0.821 0.000) 0.821 17.064 ( 0.000 -2.454 0.000) 2.454 17.261 ( 0.000 -1.750 0.000) 1.750 20.786 ( 0.000 4.103 0.000) 4.103 20.993 ( 0.000 2.362 0.000) 2.362 23.216 ( 0.000 -2.086 0.000) 2.086 23.619 ( 0.000 -1.857 0.000) 1.857 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 5.846 23.333 19.961) 31.257 0.931 ( 20.092 21.525 10.662) 31.316 1.639 ( 32.890 41.378 22.474) 57.437 2.620 ( 5.000 5.986 -3.658) 8.615 2.768 ( -2.008 -4.350 2.188) 5.267 2.940 ( -2.618 -0.147 -5.487) 6.081 2.950 ( 0.263 -1.755 -14.711) 14.818 3.155 ( -0.462 -0.502 -7.284) 7.316 3.275 ( 1.547 -4.038 11.162) 11.970 3.317 ( -7.068 0.302 -6.349) 9.506 3.553 ( -10.112 -1.146 6.558) 12.107 3.600 ( -3.665 -4.231 11.725) 12.993 3.691 ( -7.398 -4.192 11.857) 14.591 3.755 ( -0.614 -1.545 9.596) 9.739 4.080 ( -1.981 -8.272 -0.137) 8.507 4.315 ( -4.662 0.974 -1.328) 4.945 4.393 ( 3.019 2.088 -9.175) 9.882 4.607 ( 4.133 4.783 0.710) 6.361 4.743 ( 2.547 9.290 -3.809) 10.359 5.008 ( 5.066 0.287 0.653) 5.116 5.193 ( -15.208 1.628 -3.159) 15.617 5.616 ( 5.977 8.605 -3.196) 10.954 6.017 ( 10.372 2.089 2.740) 10.929 6.039 ( -0.894 -0.170 -6.697) 6.758 6.222 ( 0.246 2.055 7.022) 7.320 6.360 ( 13.346 -4.490 1.114) 14.125 6.585 ( 1.236 -1.766 5.923) 6.303 6.811 ( -5.715 -1.419 2.965) 6.593 7.009 ( 5.618 9.006 8.121) 13.364 7.167 ( 6.323 13.520 -6.122) 16.132 7.238 ( -4.649 1.039 0.041) 4.764 7.492 ( 14.266 1.433 4.517) 15.032 8.039 ( -6.349 -0.347 -0.510) 6.379 8.206 ( -0.212 -3.433 -1.330) 3.688 8.603 ( -11.561 23.726 -12.572) 29.234 8.751 ( 2.481 3.991 -2.102) 5.148 9.134 ( -2.360 5.679 4.090) 7.385 9.298 ( -6.712 2.930 3.625) 8.171 9.772 ( -4.711 -6.082 -23.088) 24.336 10.424 ( 1.997 -7.322 16.074) 17.776 10.589 ( -1.486 -3.610 -10.191) 10.913 11.068 ( -10.775 1.541 10.453) 15.091 11.751 ( -9.756 2.637 -3.930) 10.844 12.008 ( 17.749 -12.553 -4.554) 22.212 12.144 ( 9.798 -6.679 7.312) 13.931 12.354 ( 9.088 -2.775 0.067) 9.502 12.861 ( 6.965 1.328 -1.936) 7.350 13.091 ( 1.062 -0.918 -3.139) 3.438 15.177 ( 1.488 9.919 2.747) 10.399 15.416 ( 4.566 2.281 6.040) 7.908 15.490 ( -0.780 7.746 -4.496) 8.990 15.808 ( 2.632 0.512 1.178) 2.929 15.814 ( -1.448 4.228 6.694) 8.049 16.950 ( -5.741 -1.976 -0.353) 6.082 17.046 ( -1.476 -1.047 -0.439) 1.862 17.237 ( -2.239 -2.191 -1.148) 3.336 20.845 ( 7.709 3.604 -3.237) 9.105 21.029 ( 4.930 2.234 -0.976) 5.500 23.213 ( -0.338 -2.138 -0.009) 2.165 23.594 ( -0.934 -1.788 -3.129) 3.723 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 11.381 11.205 24.424) 29.182 1.432 ( 22.158 8.454 15.302) 28.224 2.434 ( 30.456 23.089 20.993) 43.604 2.579 ( 0.978 0.836 -13.355) 13.416 2.756 ( -2.824 -4.881 3.611) 6.696 2.828 ( -3.181 1.131 -5.515) 6.466 2.851 ( 5.000 -1.899 -7.789) 9.449 3.059 ( -2.715 -0.451 -8.992) 9.403 3.103 ( -4.629 5.638 -4.868) 8.770 3.301 ( -16.384 -2.369 6.354) 17.732 3.537 ( -4.306 -1.582 8.391) 9.563 3.605 ( 1.652 -4.401 1.786) 5.029 3.792 ( -6.114 1.282 22.277) 23.136 3.835 ( -1.925 -10.574 9.310) 14.219 4.038 ( -4.394 -4.333 -1.074) 6.264 4.207 ( -5.562 -0.809 -2.192) 6.032 4.312 ( 2.026 4.939 -8.074) 9.679 4.727 ( 6.916 7.668 2.923) 10.732 4.766 ( 6.009 5.180 -4.477) 9.109 4.854 ( -12.447 -1.806 -5.171) 13.599 5.198 ( 7.081 3.655 7.939) 11.248 5.683 ( 1.823 0.729 -6.606) 6.891 5.881 ( -0.534 6.128 -6.836) 9.196 6.208 ( 9.722 -2.379 0.438) 10.019 6.348 ( -0.956 -0.688 9.615) 9.687 6.486 ( 2.835 -3.648 -1.768) 4.947 6.716 ( 4.923 -0.960 6.399) 8.130 6.839 ( 0.494 -1.672 6.868) 7.086 7.043 ( -5.589 1.786 -2.435) 6.353 7.180 ( -0.005 12.484 4.282) 13.198 7.197 ( 8.240 10.703 -10.597) 17.168 7.769 ( 13.087 3.980 1.570) 13.769 7.961 ( -2.511 -1.255 5.388) 6.075 8.209 ( 0.371 -2.978 1.738) 3.468 8.477 ( 3.841 16.532 -6.732) 18.259 8.845 ( 10.209 -0.719 -0.229) 10.236 9.146 ( 0.396 7.196 1.015) 7.278 9.258 ( -7.158 2.027 5.457) 9.227 9.500 ( 1.733 -1.973 -17.574) 17.769 10.280 ( -10.858 -1.396 -21.639) 24.250 10.623 ( -0.861 -8.414 14.322) 16.633 11.080 ( -8.178 0.731 17.372) 19.214 11.525 ( -10.267 -1.091 -6.585) 12.246 11.985 ( -2.673 -6.288 -4.813) 8.357 12.384 ( 7.681 0.206 3.827) 8.584 12.590 ( 17.387 -5.451 0.441) 18.227 12.956 ( 7.338 0.890 -3.762) 8.294 13.068 ( 2.524 -0.299 -5.259) 5.841 15.242 ( 3.056 4.220 2.893) 5.960 15.467 ( 5.125 7.891 -1.978) 9.615 15.626 ( 6.590 1.081 8.990) 11.199 15.849 ( 4.338 -0.707 1.616) 4.683 15.995 ( 10.495 3.082 7.063) 13.020 16.827 ( -9.760 -6.427 0.783) 11.713 16.993 ( -4.135 -0.369 -1.624) 4.458 17.169 ( -3.638 -2.745 -2.608) 5.252 20.942 ( 7.778 3.601 -1.286) 8.668 21.117 ( 8.240 1.799 -2.278) 8.736 23.205 ( -0.639 -2.165 -0.130) 2.262 23.523 ( -1.998 -1.536 -5.511) 6.059 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 13.542 5.029 19.941) 24.623 1.908 ( 16.498 4.238 14.413) 22.313 2.381 ( -1.989 0.260 -11.494) 11.668 2.646 ( -7.641 1.810 1.487) 7.992 2.700 ( -2.627 -0.114 -8.573) 8.967 2.818 ( 0.680 -1.577 -6.585) 6.805 2.962 ( 0.221 0.705 -2.316) 2.431 2.996 ( -2.420 0.143 -2.644) 3.587 3.053 ( -3.571 -0.646 4.838) 6.048 3.194 ( 2.989 5.254 9.375) 11.155 3.430 ( -17.421 0.016 -1.560) 17.490 3.641 ( 6.625 1.121 6.850) 9.595 3.831 ( -8.327 -1.475 -1.376) 8.568 3.978 ( 2.239 -5.795 10.427) 12.138 4.047 ( 11.528 -6.740 8.369) 15.759 4.188 ( 0.082 -1.183 7.592) 7.684 4.358 ( 8.619 3.326 -0.879) 9.280 4.653 ( -6.129 -1.027 -2.195) 6.591 4.815 ( 4.108 2.038 -2.326) 5.142 4.879 ( 5.760 7.733 3.668) 10.317 5.419 ( 7.878 1.357 6.740) 10.457 5.482 ( -7.638 1.663 -9.965) 12.665 5.943 ( 6.320 7.462 0.776) 9.810 6.316 ( -5.638 -4.766 1.116) 7.467 6.338 ( 6.218 -2.618 -2.033) 7.046 6.482 ( -5.753 -1.251 1.951) 6.203 6.692 ( -14.384 -5.218 0.175) 15.302 6.855 ( 0.175 -7.203 1.632) 7.387 7.014 ( 3.788 6.255 -2.025) 7.588 7.194 ( 3.742 10.214 -7.643) 13.295 7.343 ( 12.082 18.268 4.914) 22.447 7.883 ( 4.523 6.053 -2.831) 8.069 8.059 ( -0.010 -7.063 8.165) 10.796 8.252 ( 0.791 -4.106 4.541) 6.173 8.500 ( 7.364 12.546 -5.204) 15.451 8.980 ( 5.759 1.716 -7.097) 9.299 9.179 ( -2.353 1.646 2.814) 4.021 9.225 ( 6.473 5.507 4.022) 9.402 9.481 ( 7.365 3.531 -3.654) 8.948 9.883 ( -5.489 0.830 -18.793) 19.596 10.717 ( -3.880 -7.783 8.823) 12.388 11.100 ( -11.483 -0.344 7.486) 13.712 11.344 ( -5.260 -4.514 1.684) 7.132 11.878 ( -3.082 -5.494 -5.338) 8.257 12.522 ( 4.901 3.049 3.849) 6.937 12.851 ( 13.778 -3.772 1.574) 14.372 12.955 ( 1.805 2.768 -8.113) 8.760 13.090 ( 5.532 -1.558 -3.612) 6.788 15.345 ( 6.432 -2.611 2.313) 7.317 15.564 ( 8.399 4.281 -0.644) 9.450 15.806 ( 6.511 1.400 4.550) 8.066 15.953 ( 7.011 -0.941 -0.236) 7.077 16.288 ( 12.117 2.335 11.923) 17.159 16.673 ( -11.198 -9.648 2.100) 14.929 16.880 ( -7.546 -1.970 -1.977) 8.046 17.073 ( -3.898 -2.177 -3.694) 5.794 21.059 ( 7.428 2.003 0.538) 7.712 21.225 ( 8.602 0.973 -2.763) 9.087 23.191 ( -0.765 -1.901 -0.376) 2.083 23.416 ( -2.911 -1.047 -6.443) 7.147 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 8.689 2.068 12.743) 15.561 2.203 ( 4.820 1.830 2.636) 5.791 2.339 ( 5.911 2.024 3.255) 7.045 2.550 ( -7.995 -1.087 1.515) 8.209 2.566 ( -0.328 5.314 -6.935) 8.743 2.729 ( -2.072 -0.053 -6.035) 6.381 2.836 ( -8.539 -1.047 0.420) 8.613 2.944 ( -3.731 0.173 -6.534) 7.526 3.048 ( -2.209 0.093 1.540) 2.695 3.090 ( -6.260 -2.454 -4.246) 7.952 3.235 ( -6.845 -0.518 3.167) 7.560 3.655 ( -6.874 -1.981 -5.773) 9.192 3.963 ( 8.086 -0.717 10.498) 13.270 4.119 ( 7.746 0.620 4.993) 9.236 4.249 ( 2.493 -1.649 1.701) 3.439 4.398 ( 13.230 -6.636 5.888) 15.929 4.546 ( 7.094 -3.077 5.659) 9.583 4.631 ( 5.325 1.072 8.210) 9.844 4.815 ( -3.434 -2.124 0.509) 4.070 4.999 ( 6.700 4.405 0.160) 8.020 5.249 ( -7.370 4.817 -7.304) 11.440 5.610 ( 6.021 2.633 4.355) 7.883 6.008 ( -1.803 1.736 1.587) 2.964 6.225 ( -4.684 -6.409 -0.300) 7.944 6.356 ( -2.066 -0.765 -2.882) 3.628 6.413 ( -5.374 3.729 4.991) 8.228 6.480 ( -5.156 -2.922 -4.228) 7.280 6.793 ( -2.042 -7.186 -7.930) 10.895 7.092 ( 2.442 4.345 0.097) 4.986 7.184 ( 1.996 7.949 2.631) 8.608 7.521 ( 5.553 15.388 -0.130) 16.359 7.862 ( -1.564 4.462 -5.076) 6.937 8.126 ( 0.008 -3.029 6.331) 7.019 8.296 ( 1.942 0.711 -2.006) 2.881 8.565 ( 2.993 5.237 -1.448) 6.203 8.915 ( -0.921 6.294 -5.741) 8.569 9.200 ( 0.831 6.293 1.956) 6.642 9.347 ( 3.925 4.109 1.148) 5.797 9.618 ( 12.062 1.508 1.559) 12.255 9.857 ( 13.958 1.177 -2.489) 14.227 10.688 ( -8.006 -6.376 3.325) 10.761 10.884 ( -12.275 -5.412 -6.998) 15.131 11.382 ( -3.222 -3.326 11.479) 12.378 11.787 ( -1.640 -5.046 -3.986) 6.637 12.623 ( 3.007 3.578 3.040) 5.575 12.872 ( 0.635 3.632 -8.610) 9.367 13.054 ( 8.548 -3.215 2.228) 9.400 13.127 ( 3.599 -1.917 -2.873) 4.989 15.490 ( 8.945 -7.105 1.454) 11.516 15.695 ( 7.730 1.193 -0.089) 7.822 15.928 ( 5.204 -0.938 0.768) 5.343 16.046 ( 5.185 -1.970 -0.645) 5.584 16.535 ( -8.385 -10.689 5.180) 14.540 16.589 ( 6.165 2.035 8.810) 10.943 16.729 ( -6.790 -3.399 -1.898) 7.826 16.976 ( -3.125 -1.180 -3.310) 4.703 21.176 ( 5.775 -0.181 1.256) 5.913 21.316 ( 6.211 0.035 -2.314) 6.628 23.175 ( -0.548 -1.260 -0.500) 1.462 23.301 ( -2.951 -0.412 -5.336) 6.112 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.661 3.333 4.997) 6.232 2.239 ( 1.918 2.942 -1.037) 3.662 2.412 ( -6.199 -0.123 -0.294) 6.207 2.474 ( 2.709 2.551 1.075) 3.873 2.559 ( -3.454 3.092 1.850) 4.992 2.594 ( -0.385 3.248 -5.167) 6.115 2.768 ( -0.782 -3.634 -0.618) 3.768 2.851 ( 0.112 -2.540 -0.172) 2.548 3.042 ( -0.911 -2.477 -0.129) 2.643 3.074 ( 5.360 -0.060 -3.850) 6.599 3.166 ( -6.585 0.699 4.223) 7.854 3.515 ( -3.300 -1.849 -3.186) 4.946 4.062 ( -0.112 0.047 2.171) 2.174 4.269 ( -0.625 2.048 1.312) 2.511 4.312 ( 7.426 0.646 1.683) 7.641 4.599 ( 7.492 -5.102 1.413) 9.174 4.629 ( 3.523 -6.133 1.079) 7.155 4.722 ( -6.036 -1.420 -1.447) 6.367 4.929 ( 6.954 -7.759 12.200) 16.044 5.053 ( -0.764 -3.708 -2.749) 4.679 5.101 ( -1.888 7.083 -3.987) 8.345 5.711 ( 2.439 4.202 1.866) 5.205 5.949 ( -3.653 -3.010 0.591) 4.770 6.170 ( -2.052 -7.012 0.061) 7.306 6.303 ( -3.424 1.675 4.776) 6.110 6.378 ( 1.862 3.480 -10.542) 11.257 6.457 ( -0.707 0.009 6.617) 6.655 6.668 ( -1.823 4.914 -6.814) 8.596 7.106 ( 0.180 -1.946 1.213) 2.300 7.269 ( 1.695 2.688 3.025) 4.388 7.538 ( -0.072 14.252 -1.726) 14.356 7.773 ( -1.727 1.004 -3.472) 4.006 8.195 ( -0.264 3.052 5.835) 6.591 8.269 ( 1.014 4.960 -5.922) 7.791 8.555 ( -0.315 1.874 -1.287) 2.295 8.865 ( -0.473 10.039 -1.412) 10.149 9.228 ( 0.631 7.167 0.590) 7.219 9.474 ( 5.919 5.216 2.997) 8.439 9.795 ( 6.164 2.151 1.221) 6.641 10.066 ( 8.142 -2.557 2.370) 8.858 10.578 ( -5.759 -6.696 0.004) 8.831 10.643 ( -6.790 -6.746 -5.797) 11.190 11.441 ( -1.600 -3.223 5.329) 6.430 11.742 ( -0.358 -4.742 -1.431) 4.966 12.681 ( 1.042 3.819 1.482) 4.227 12.803 ( 0.141 3.883 -4.147) 5.683 13.138 ( 0.746 -2.325 -0.236) 2.453 13.167 ( 3.340 -3.076 0.089) 4.542 15.640 ( 7.762 -8.114 0.696) 11.250 15.753 ( -0.968 -2.642 -0.430) 2.846 15.998 ( 3.267 -2.757 -0.038) 4.275 16.099 ( 2.032 -5.398 -0.141) 5.769 16.483 ( -2.238 -7.111 2.587) 7.890 16.548 ( -6.501 -4.327 -1.123) 7.890 16.800 ( 3.668 1.928 3.507) 5.429 16.913 ( -1.283 -0.923 -1.312) 2.054 21.253 ( 2.255 -1.743 0.649) 2.923 21.365 ( 2.218 -0.616 -0.921) 2.480 23.166 ( -0.028 -0.492 -0.164) 0.519 23.221 ( -1.461 -0.080 -2.187) 2.631 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 30.697 0.000) 30.697 1.356 ( 0.000 31.263 0.000) 31.263 2.128 ( 0.000 43.105 0.000) 43.105 2.674 ( 0.000 -5.791 0.000) 5.791 2.720 ( 0.000 4.032 0.000) 4.032 2.921 ( 0.000 -13.269 0.000) 13.269 2.967 ( 0.000 -0.669 0.000) 0.669 3.139 ( 0.000 0.813 0.000) 0.813 3.234 ( 0.000 -3.453 0.000) 3.453 3.381 ( 0.000 -3.421 0.000) 3.421 3.452 ( 0.000 -5.440 0.000) 5.440 3.477 ( 0.000 -4.531 0.000) 4.531 3.620 ( 0.000 9.864 0.000) 9.864 3.876 ( 0.000 -11.770 0.000) 11.770 3.959 ( 0.000 13.091 0.000) 13.091 4.277 ( 0.000 -12.882 0.000) 12.882 4.486 ( 0.000 7.107 0.000) 7.107 4.638 ( 0.000 7.642 0.000) 7.642 4.930 ( 0.000 6.620 0.000) 6.620 5.081 ( 0.000 12.127 0.000) 12.127 5.348 ( 0.000 -0.963 0.000) 0.963 5.644 ( 0.000 -0.018 0.000) 0.018 6.033 ( 0.000 6.243 0.000) 6.243 6.063 ( 0.000 -2.208 0.000) 2.208 6.159 ( 0.000 5.621 0.000) 5.621 6.384 ( 0.000 -5.288 0.000) 5.288 6.523 ( 0.000 14.305 0.000) 14.305 6.942 ( 0.000 1.329 0.000) 1.329 7.195 ( 0.000 16.484 0.000) 16.484 7.199 ( 0.000 -2.075 0.000) 2.075 7.361 ( 0.000 2.120 0.000) 2.120 7.543 ( 0.000 23.704 0.000) 23.704 8.030 ( 0.000 -3.725 0.000) 3.725 8.090 ( 0.000 -7.429 0.000) 7.429 8.743 ( 0.000 2.970 0.000) 2.970 9.053 ( 0.000 -0.300 0.000) 0.300 9.220 ( 0.000 5.328 0.000) 5.328 9.452 ( 0.000 2.069 0.000) 2.069 9.792 ( 0.000 -16.294 0.000) 16.294 10.235 ( 0.000 2.675 0.000) 2.675 10.474 ( 0.000 -9.967 0.000) 9.967 11.231 ( 0.000 6.813 0.000) 6.813 11.659 ( 0.000 6.030 0.000) 6.030 11.968 ( 0.000 -7.258 0.000) 7.258 11.980 ( 0.000 7.093 0.000) 7.093 12.205 ( 0.000 -5.270 0.000) 5.270 12.829 ( 0.000 0.662 0.000) 0.662 13.060 ( 0.000 -2.856 0.000) 2.856 15.355 ( 0.000 1.338 0.000) 1.338 15.388 ( 0.000 9.293 0.000) 9.293 15.654 ( 0.000 10.579 0.000) 10.579 15.769 ( 0.000 3.603 0.000) 3.603 15.994 ( 0.000 7.923 0.000) 7.923 16.996 ( 0.000 -1.446 0.000) 1.446 16.996 ( 0.000 -4.478 0.000) 4.478 17.209 ( 0.000 -3.827 0.000) 3.827 20.896 ( 0.000 7.205 0.000) 7.205 21.062 ( 0.000 4.744 0.000) 4.744 23.166 ( 0.000 -2.782 0.000) 2.782 23.559 ( 0.000 -4.587 0.000) 4.587 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.025 27.781 5.864) 28.393 1.384 ( 6.550 24.253 4.624) 25.544 2.427 ( 19.121 34.879 15.773) 42.789 2.656 ( -1.686 -6.678 -0.660) 6.919 2.732 ( 2.375 4.698 -3.684) 6.425 2.815 ( -2.230 -9.398 -10.044) 13.935 2.939 ( -0.411 1.116 -5.032) 5.171 3.143 ( -3.129 -5.577 6.496) 9.115 3.179 ( -3.620 -1.610 -3.254) 5.127 3.325 ( -2.587 1.368 -4.297) 5.199 3.389 ( -0.126 -12.537 -1.962) 12.690 3.597 ( -3.765 -0.296 16.891) 17.308 3.682 ( -2.663 5.392 8.780) 10.642 3.786 ( -4.338 -2.079 -4.443) 6.548 4.009 ( -3.000 5.304 8.667) 10.595 4.236 ( -1.289 -8.056 -5.286) 9.722 4.506 ( 2.039 8.470 -1.511) 8.842 4.682 ( 4.862 4.603 3.069) 7.365 4.911 ( -0.323 7.413 -3.226) 8.091 5.054 ( -2.839 4.729 -3.570) 6.570 5.253 ( -7.713 4.465 0.775) 8.945 5.701 ( 6.413 0.418 -2.107) 6.763 6.003 ( -2.488 -2.634 -4.819) 6.029 6.102 ( 5.774 5.823 2.755) 8.651 6.259 ( 3.527 2.374 7.660) 8.761 6.357 ( 0.517 1.376 -1.005) 1.781 6.579 ( -0.405 -0.020 4.444) 4.463 6.838 ( -2.585 5.092 0.069) 5.711 7.157 ( -2.745 -3.577 -0.670) 4.558 7.291 ( -0.214 16.919 5.970) 17.943 7.486 ( 7.265 8.642 -1.230) 11.357 7.606 ( 13.053 14.123 0.519) 19.239 8.010 ( -2.446 -1.166 0.083) 2.711 8.105 ( 1.068 -6.451 0.781) 6.585 8.727 ( -0.379 3.087 -3.022) 4.336 8.984 ( -3.234 7.318 -3.786) 8.851 9.231 ( 1.848 4.615 -0.730) 5.025 9.383 ( -7.607 5.866 3.986) 10.400 9.633 ( -0.460 -7.186 -21.068) 22.264 10.257 ( -1.445 -8.919 9.756) 13.297 10.508 ( -0.314 -4.189 -2.011) 4.658 11.130 ( -11.366 5.161 5.168) 13.511 11.779 ( -4.904 -2.905 -5.162) 7.690 11.861 ( -2.283 -3.838 0.046) 4.465 12.075 ( 14.209 -0.065 5.819) 15.354 12.316 ( 10.089 -1.043 1.213) 10.215 12.878 ( 6.317 0.521 -1.390) 6.489 13.062 ( 1.747 -2.120 -2.233) 3.540 15.401 ( -2.448 11.284 3.268) 12.000 15.445 ( 5.019 1.527 8.021) 9.585 15.593 ( -0.651 4.482 -2.008) 4.954 15.847 ( 0.930 3.953 0.718) 4.124 15.957 ( 0.336 10.915 2.572) 11.219 16.880 ( -11.306 -5.184 1.124) 12.489 17.014 ( -0.770 -2.913 -1.645) 3.433 17.178 ( -2.231 -4.008 -1.747) 4.908 20.940 ( 7.610 6.113 -4.112) 10.591 21.091 ( 4.245 4.184 -1.077) 6.057 23.163 ( -0.070 -2.724 -0.386) 2.752 23.538 ( -0.552 -4.322 -3.143) 5.372 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 6.221 16.668 15.678) 23.713 1.638 ( 14.270 12.879 9.728) 21.544 2.536 ( -2.655 -5.187 -14.027) 15.190 2.629 ( -4.384 -6.058 -0.129) 7.479 2.740 ( 0.557 -2.752 -1.066) 3.003 2.850 ( 4.315 3.685 -2.490) 6.197 3.022 ( 12.486 22.394 10.552) 27.726 3.031 ( -6.672 -3.745 -4.279) 8.766 3.161 ( -4.319 -5.735 2.625) 7.644 3.239 ( -0.131 3.131 -4.239) 5.271 3.403 ( 0.365 -10.522 2.963) 10.937 3.608 ( -1.649 1.384 0.412) 2.192 3.684 ( -4.476 -0.644 2.279) 5.064 3.832 ( -5.842 1.967 26.058) 26.777 4.014 ( -8.214 2.280 4.920) 9.842 4.137 ( -4.467 -5.224 -2.261) 7.236 4.463 ( 0.397 9.697 -7.234) 12.105 4.818 ( -3.615 3.784 -2.101) 5.639 4.888 ( 2.285 5.702 -5.790) 8.441 4.902 ( 3.259 6.350 4.459) 8.416 5.281 ( 4.414 4.915 5.413) 8.541 5.678 ( -3.433 -2.060 -8.095) 9.031 5.984 ( 4.715 3.254 -0.760) 5.779 6.194 ( 1.700 0.151 1.473) 2.255 6.288 ( -7.529 -4.269 4.646) 9.823 6.427 ( 6.586 -1.515 0.556) 6.781 6.623 ( -1.786 -6.228 7.725) 10.082 6.900 ( -1.215 2.872 -0.480) 3.156 7.064 ( 0.599 3.299 0.189) 3.359 7.387 ( 4.867 13.938 1.496) 14.839 7.512 ( 2.380 14.285 -0.292) 14.485 7.861 ( 10.739 2.066 1.180) 10.999 7.984 ( 0.286 6.966 2.777) 7.504 8.131 ( -0.274 -4.919 2.088) 5.351 8.694 ( 4.103 5.885 -5.564) 9.079 8.971 ( 6.253 10.638 -2.750) 12.643 9.257 ( -3.591 -2.787 -1.945) 4.944 9.273 ( 0.077 7.547 -2.775) 8.041 9.526 ( 6.599 5.772 -4.989) 10.087 10.241 ( -5.536 -3.821 -17.100) 18.375 10.447 ( -5.062 -7.262 13.157) 15.858 11.094 ( -6.744 0.895 13.418) 15.044 11.495 ( -14.349 -2.159 -9.075) 17.114 11.822 ( -2.797 -10.806 -3.037) 11.568 12.400 ( 12.901 1.417 6.267) 14.413 12.519 ( 14.425 -1.556 1.221) 14.560 12.966 ( 7.384 -0.023 -3.203) 8.048 13.060 ( 2.575 -0.434 -4.607) 5.296 15.353 ( -5.700 7.216 2.583) 9.551 15.606 ( 1.038 5.786 -0.306) 5.887 15.660 ( 8.017 2.337 9.883) 12.939 15.834 ( 1.699 -0.685 1.649) 2.464 16.111 ( 9.406 9.401 5.832) 14.521 16.683 ( -15.379 -8.481 2.374) 17.722 16.925 ( -7.934 -6.801 -1.763) 10.598 17.120 ( -0.647 -2.314 -4.469) 5.074 21.020 ( 7.729 4.317 -3.759) 9.618 21.162 ( 6.472 2.690 -1.855) 7.250 23.157 ( 0.132 -2.448 -0.813) 2.583 23.475 ( -1.279 -3.592 -5.467) 6.665 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 9.561 8.762 15.567) 20.261 1.998 ( 13.994 5.128 12.343) 19.351 2.374 ( 0.184 -1.058 -9.388) 9.449 2.547 ( -6.190 -7.034 1.323) 9.462 2.714 ( -3.394 -2.195 -1.358) 4.264 2.774 ( -0.948 -1.945 -7.654) 7.954 2.949 ( -4.278 -4.043 0.727) 5.931 3.038 ( -5.401 -1.566 -1.877) 5.928 3.091 ( -0.096 7.837 -10.851) 13.385 3.239 ( -5.475 -0.982 1.767) 5.836 3.427 ( -9.342 -0.160 -0.223) 9.346 3.686 ( 4.098 -11.484 2.426) 12.432 3.768 ( 7.774 10.651 14.025) 19.251 3.859 ( -8.538 -0.522 2.949) 9.047 3.995 ( 2.004 -3.663 5.268) 6.722 4.154 ( -1.397 -1.192 18.828) 18.917 4.444 ( 5.050 5.414 -4.493) 8.660 4.689 ( -4.101 5.405 -1.622) 6.976 4.890 ( 3.562 3.861 -4.820) 7.130 5.054 ( 3.879 11.294 4.294) 12.690 5.419 ( 1.681 -0.490 1.053) 2.044 5.534 ( -0.258 2.746 -2.356) 3.627 6.026 ( -1.747 -6.592 -0.184) 6.822 6.187 ( -5.878 -2.563 7.734) 10.047 6.279 ( 4.930 -1.691 -1.577) 5.445 6.488 ( -3.312 0.815 2.115) 4.013 6.571 ( -7.547 -6.308 -2.567) 10.165 6.775 ( -3.457 -1.340 -4.355) 5.720 7.168 ( 3.485 8.396 2.917) 9.547 7.413 ( 2.054 12.254 -5.604) 13.630 7.667 ( 9.930 13.251 6.020) 17.619 7.941 ( -0.593 -1.737 8.541) 8.736 8.043 ( 0.496 6.344 -3.074) 7.067 8.176 ( 3.037 -1.958 4.775) 5.988 8.727 ( 6.758 10.280 -5.897) 13.643 9.041 ( 6.858 3.348 -10.119) 12.674 9.225 ( 5.090 3.906 3.907) 7.512 9.334 ( 4.944 6.247 1.460) 8.099 9.623 ( 6.039 10.796 0.190) 12.372 9.914 ( -4.174 3.149 -16.241) 17.062 10.536 ( -2.666 -10.304 9.381) 14.187 11.077 ( -14.966 -2.245 0.064) 15.134 11.245 ( -4.862 -5.298 4.281) 8.369 11.731 ( -2.636 -10.021 -4.689) 11.374 12.594 ( 5.801 4.152 4.503) 8.436 12.772 ( 13.847 -3.954 1.761) 14.508 13.009 ( 3.279 2.274 -6.328) 7.481 13.056 ( 4.725 -1.519 -4.667) 6.813 15.321 ( -1.116 0.340 1.970) 2.289 15.613 ( 1.340 0.869 0.087) 1.599 15.856 ( 5.967 3.273 2.579) 7.278 15.927 ( 4.421 -1.656 3.623) 5.951 16.333 ( 2.920 0.315 11.374) 11.747 16.500 ( -7.665 -6.501 3.790) 10.742 16.753 ( -10.065 -9.470 -1.956) 13.957 17.052 ( -0.582 -0.609 -6.152) 6.209 21.097 ( 5.827 1.738 -1.645) 6.299 21.242 ( 5.938 0.507 -1.728) 6.205 23.151 ( 0.555 -1.869 -1.174) 2.276 23.383 ( -1.973 -2.537 -6.288) 7.061 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 7.499 3.702 10.759) 13.627 2.253 ( 3.623 2.997 5.192) 7.004 2.374 ( 5.079 1.509 2.111) 5.703 2.493 ( -4.105 -2.945 2.800) 5.776 2.646 ( 3.129 1.973 -4.180) 5.581 2.711 ( -3.048 -2.007 -2.189) 4.255 2.823 ( -8.664 -0.614 -1.429) 8.803 2.938 ( -5.350 -5.842 -7.395) 10.837 2.983 ( -0.257 -0.070 -5.707) 5.713 3.114 ( -4.553 4.009 -5.010) 7.868 3.254 ( -8.381 2.161 3.800) 9.452 3.605 ( -7.440 -3.608 -3.051) 8.813 3.962 ( 5.193 -11.958 6.277) 14.469 3.995 ( 6.844 -1.952 7.987) 10.698 4.140 ( 8.676 -7.391 2.799) 11.736 4.389 ( 4.421 4.825 11.142) 12.921 4.505 ( 3.239 -2.236 6.497) 7.596 4.628 ( -5.091 1.678 1.400) 5.540 4.870 ( 0.980 1.692 -5.151) 5.509 5.118 ( 0.520 11.027 1.000) 11.084 5.311 ( -5.631 2.552 -4.044) 7.387 5.637 ( 5.867 0.096 2.215) 6.272 5.956 ( -4.604 -11.018 -1.423) 12.026 6.135 ( -10.841 1.272 3.791) 11.555 6.343 ( 3.186 -1.967 -0.032) 3.745 6.431 ( -4.174 -0.305 6.377) 7.628 6.518 ( 3.017 4.531 -1.617) 5.679 6.685 ( -0.099 -1.801 -5.804) 6.078 7.207 ( -0.265 6.008 -1.330) 6.159 7.368 ( -1.148 10.651 -1.993) 10.897 7.780 ( 0.505 10.216 0.423) 10.237 7.918 ( -4.908 0.315 -4.479) 6.652 8.165 ( 5.730 7.655 12.021) 15.360 8.286 ( 5.670 -0.548 3.216) 6.541 8.726 ( 1.497 10.954 -9.295) 14.444 9.006 ( 2.025 3.188 -3.872) 5.409 9.304 ( 2.205 3.790 0.548) 4.419 9.495 ( 7.497 8.301 3.236) 11.644 9.710 ( 12.069 11.352 -1.500) 16.637 9.902 ( 10.077 3.232 -2.208) 10.810 10.536 ( -7.039 -8.766 4.228) 12.011 10.747 ( -15.238 -8.031 -9.607) 19.723 11.305 ( -2.984 -4.635 11.169) 12.455 11.653 ( -0.900 -9.078 -3.996) 9.959 12.705 ( 3.076 4.555 3.246) 6.383 12.940 ( 3.308 1.361 -5.003) 6.150 12.987 ( 5.768 -1.837 -0.209) 6.057 13.082 ( 4.056 -2.454 -4.033) 6.224 15.363 ( 4.060 -5.743 1.245) 7.143 15.666 ( 4.678 -4.015 0.447) 6.181 15.857 ( -4.318 -7.316 -2.595) 8.883 16.013 ( 0.299 -1.671 2.968) 3.419 16.350 ( -5.066 -7.545 6.731) 11.309 16.532 ( -8.795 -9.109 4.511) 13.442 16.701 ( 8.536 3.502 3.125) 9.741 16.972 ( -0.959 0.304 -5.670) 5.759 21.164 ( 3.731 -1.129 -0.073) 3.899 21.303 ( 3.731 -1.627 -1.108) 4.219 23.149 ( 0.876 -1.150 -1.120) 1.828 23.285 ( -2.121 -1.422 -5.137) 5.737 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 4.210 3.478 6.581) 8.552 2.315 ( 1.995 4.616 0.227) 5.034 2.412 ( -5.224 0.597 0.019) 5.258 2.518 ( 4.586 1.789 4.305) 6.539 2.597 ( -5.335 1.546 -3.998) 6.844 2.666 ( 1.170 2.939 -2.755) 4.195 2.703 ( -4.328 -2.104 -2.064) 5.236 2.778 ( -3.195 -4.174 -1.548) 5.480 2.987 ( 3.312 -2.466 -0.352) 4.144 3.088 ( 4.117 1.158 -3.262) 5.379 3.195 ( -5.213 2.026 3.468) 6.581 3.474 ( -4.206 -2.476 -2.019) 5.282 4.049 ( 0.461 -4.207 2.875) 5.116 4.215 ( 11.479 -11.785 2.073) 16.582 4.285 ( 5.269 -8.599 4.304) 10.965 4.433 ( -5.337 -6.012 1.756) 8.229 4.498 ( -3.731 0.501 -6.715) 7.699 4.702 ( 0.999 -6.293 10.032) 11.885 4.845 ( 1.848 -5.071 -1.990) 5.752 5.075 ( -3.785 12.903 -0.123) 13.447 5.220 ( -1.873 6.133 -2.950) 7.059 5.729 ( 2.977 -2.767 1.161) 4.227 5.889 ( -0.918 -3.999 -0.086) 4.104 6.025 ( -5.236 -5.102 0.368) 7.320 6.383 ( -1.973 3.736 7.782) 8.855 6.461 ( 4.729 4.639 -6.894) 9.561 6.478 ( -2.668 3.613 -2.791) 5.288 6.751 ( 4.338 2.289 5.736) 7.547 7.132 ( -3.177 4.245 -4.022) 6.655 7.355 ( -0.129 6.714 0.357) 6.725 7.763 ( -1.905 8.290 0.458) 8.518 7.807 ( -1.814 2.553 -3.628) 4.793 8.310 ( 0.186 8.156 7.633) 11.172 8.393 ( 4.031 7.490 -2.937) 8.999 8.618 ( -0.871 5.180 -4.987) 7.243 9.037 ( 1.656 6.963 0.803) 7.202 9.353 ( 1.257 3.713 1.685) 4.267 9.627 ( 6.288 9.898 1.267) 11.794 9.908 ( 8.234 10.959 0.821) 13.732 10.027 ( 5.038 -0.828 -0.049) 5.106 10.422 ( -7.873 -8.120 0.279) 11.314 10.471 ( -6.633 -10.680 -5.522) 13.731 11.363 ( -1.440 -5.008 5.013) 7.230 11.616 ( 0.062 -8.450 -1.584) 8.598 12.766 ( 0.993 4.551 1.810) 4.998 12.891 ( 0.230 4.877 -3.987) 6.303 13.077 ( 0.700 -4.125 3.037) 5.170 13.095 ( 3.310 -3.703 -3.696) 6.191 15.463 ( 6.473 -9.855 0.445) 11.799 15.663 ( -6.861 -6.653 -0.280) 9.561 15.839 ( 7.790 -13.184 -0.397) 15.319 15.973 ( -7.483 -9.097 0.577) 11.794 16.350 ( -1.457 -4.581 1.643) 5.080 16.470 ( -2.043 -2.854 1.707) 3.903 16.854 ( 3.929 3.323 2.599) 5.765 16.911 ( -0.616 0.664 -2.445) 2.608 21.206 ( 1.318 -3.058 0.211) 3.337 21.334 ( 1.211 -2.868 -0.379) 3.136 23.155 ( 0.756 -0.608 -0.319) 1.021 23.214 ( -1.267 -0.708 -2.162) 2.604 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 25.356 0.000) 25.356 1.897 ( 0.000 26.283 0.000) 26.283 2.567 ( 0.000 -5.195 0.000) 5.195 2.602 ( 0.000 6.200 0.000) 6.200 2.710 ( 0.000 -3.023 0.000) 3.023 2.750 ( 0.000 -2.467 0.000) 2.467 2.962 ( 0.000 -3.887 0.000) 3.887 2.994 ( 0.000 -12.908 0.000) 12.908 3.240 ( 0.000 -1.267 0.000) 1.267 3.332 ( 0.000 -10.708 0.000) 10.708 3.427 ( 0.000 4.314 0.000) 4.314 3.509 ( 0.000 15.543 0.000) 15.543 3.702 ( 0.000 -3.745 0.000) 3.745 3.754 ( 0.000 0.755 0.000) 0.755 4.058 ( 0.000 -1.936 0.000) 1.936 4.255 ( 0.000 14.693 0.000) 14.693 4.600 ( 0.000 4.456 0.000) 4.456 4.794 ( 0.000 6.678 0.000) 6.678 5.044 ( 0.000 5.338 0.000) 5.338 5.289 ( 0.000 8.269 0.000) 8.269 5.326 ( 0.000 -1.751 0.000) 1.751 5.624 ( 0.000 -2.501 0.000) 2.501 6.033 ( 0.000 0.358 0.000) 0.358 6.136 ( 0.000 3.434 0.000) 3.434 6.269 ( 0.000 5.881 0.000) 5.881 6.331 ( 0.000 0.142 0.000) 0.142 6.748 ( 0.000 8.388 0.000) 8.388 6.928 ( 0.000 -2.354 0.000) 2.354 7.163 ( 0.000 -1.138 0.000) 1.138 7.287 ( 0.000 -1.424 0.000) 1.424 7.633 ( 0.000 19.316 0.000) 19.316 7.941 ( 0.000 -1.267 0.000) 1.267 7.959 ( 0.000 -2.389 0.000) 2.389 7.975 ( 0.000 14.578 0.000) 14.578 8.832 ( 0.000 6.243 0.000) 6.243 8.972 ( 0.000 -7.541 0.000) 7.541 9.258 ( 0.000 -2.287 0.000) 2.287 9.447 ( 0.000 -19.418 0.000) 19.418 9.551 ( 0.000 8.168 0.000) 8.168 10.253 ( 0.000 -13.030 0.000) 13.030 10.418 ( 0.000 16.881 0.000) 16.881 11.385 ( 0.000 9.286 0.000) 9.286 11.580 ( 0.000 -13.845 0.000) 13.845 11.908 ( 0.000 -2.721 0.000) 2.721 12.118 ( 0.000 6.859 0.000) 6.859 12.142 ( 0.000 1.017 0.000) 1.017 12.838 ( 0.000 0.437 0.000) 0.437 12.992 ( 0.000 -4.158 0.000) 4.158 15.381 ( 0.000 1.416 0.000) 1.416 15.451 ( 0.000 0.014 0.000) 0.014 15.874 ( 0.000 7.216 0.000) 7.216 15.948 ( 0.000 14.928 0.000) 14.928 16.185 ( 0.000 13.012 0.000) 13.012 16.909 ( 0.000 -3.965 0.000) 3.965 16.924 ( 0.000 -6.424 0.000) 6.424 17.116 ( 0.000 -6.026 0.000) 6.026 21.044 ( 0.000 7.996 0.000) 7.996 21.160 ( 0.000 4.966 0.000) 4.966 23.129 ( 0.000 -0.571 0.000) 0.571 23.443 ( 0.000 -7.537 0.000) 7.537 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -5.326 22.918 -2.712) 23.685 1.821 ( 1.790 23.167 1.846) 23.310 2.527 ( -1.306 -5.999 -4.825) 7.808 2.650 ( -0.381 -5.579 0.493) 5.614 2.662 ( -2.637 -2.109 -4.839) 5.901 2.830 ( 4.824 -0.692 8.615) 9.898 2.929 ( -1.854 -7.920 -2.511) 8.513 3.056 ( 0.401 -8.675 -0.441) 8.695 3.146 ( -0.877 0.800 -0.031) 1.188 3.245 ( -2.174 -0.854 -5.082) 5.593 3.450 ( 1.588 5.227 -4.502) 7.079 3.575 ( -2.489 3.901 15.614) 16.285 3.734 ( 2.086 -0.892 -3.881) 4.495 3.793 ( 1.234 4.963 5.372) 7.417 4.073 ( -1.887 1.465 4.790) 5.353 4.262 ( -6.612 13.042 7.976) 16.656 4.647 ( 3.975 5.158 1.316) 6.643 4.791 ( 0.352 5.515 2.732) 6.165 5.017 ( -1.206 3.475 -3.147) 4.841 5.125 ( -8.442 1.935 -7.412) 11.400 5.359 ( -2.042 5.990 3.049) 7.025 5.670 ( 3.750 -2.788 -1.931) 5.056 5.971 ( -5.079 0.012 1.287) 5.240 6.194 ( 2.770 3.141 5.405) 6.838 6.301 ( 3.452 1.590 1.307) 4.020 6.349 ( -2.617 -2.879 1.798) 4.286 6.592 ( -11.585 2.991 -3.664) 12.514 6.943 ( 2.156 0.342 -2.031) 2.982 7.118 ( 1.418 4.398 0.638) 4.665 7.530 ( 17.225 -0.235 1.890) 17.330 7.640 ( -3.540 16.196 7.197) 18.074 7.836 ( -1.647 5.458 -7.827) 9.683 7.975 ( 3.385 -4.873 0.425) 5.948 8.094 ( 4.975 10.247 2.672) 11.700 8.804 ( 1.371 3.629 -6.998) 8.001 8.992 ( -0.387 -3.109 5.048) 5.941 9.214 ( -0.929 -6.882 -2.807) 7.490 9.518 ( 3.780 1.519 -5.743) 7.041 9.530 ( 1.466 1.060 3.864) 4.266 10.120 ( -4.703 -6.943 -4.147) 9.355 10.515 ( 0.756 8.434 5.402) 10.044 11.258 ( -11.661 7.828 -0.603) 14.058 11.590 ( 0.539 -14.332 -1.550) 14.426 11.798 ( -17.212 -5.374 -0.205) 18.033 12.148 ( 16.272 6.422 -1.505) 17.558 12.325 ( 10.999 1.569 2.467) 11.381 12.883 ( 5.492 0.227 -0.984) 5.584 13.012 ( 2.665 -3.094 -0.591) 4.126 15.470 ( 5.933 1.313 7.016) 9.282 15.516 ( 3.141 1.335 5.590) 6.549 15.737 ( -10.327 10.056 -0.595) 14.427 15.948 ( -5.487 5.745 -0.654) 7.971 16.220 ( 4.794 15.951 1.248) 16.703 16.769 ( -14.832 -5.920 1.981) 16.092 16.926 ( -3.404 -6.074 -2.110) 7.275 17.085 ( -0.689 -5.988 -2.328) 6.461 21.065 ( 4.228 6.692 -2.894) 8.428 21.175 ( 2.663 4.122 -1.250) 5.064 23.129 ( 0.780 -0.362 -1.092) 1.390 23.429 ( 0.300 -7.011 -3.035) 7.646 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 1.515 15.196 6.069) 16.433 1.910 ( 6.092 15.431 3.818) 17.023 2.428 ( -0.750 -5.296 -8.891) 10.376 2.543 ( -5.997 -3.278 -1.783) 7.063 2.635 ( -0.919 -5.532 -0.763) 5.659 2.856 ( -1.583 -10.931 -2.730) 11.377 2.923 ( -4.906 0.498 -5.995) 7.763 3.003 ( 0.623 -8.099 8.328) 11.634 3.125 ( -1.845 -6.388 -2.373) 7.059 3.312 ( 3.460 3.972 -0.553) 5.296 3.397 ( 2.625 -1.704 -6.608) 7.311 3.626 ( -1.146 -0.718 -4.601) 4.795 3.778 ( -0.541 7.821 12.161) 14.469 3.905 ( -3.625 7.493 20.278) 21.920 4.068 ( -7.332 5.410 7.260) 11.650 4.171 ( -14.407 10.843 6.124) 19.043 4.628 ( -3.624 6.396 -4.099) 8.417 4.911 ( -3.021 4.200 -2.143) 5.600 4.950 ( -0.959 0.416 -5.139) 5.244 5.011 ( 11.615 4.570 6.265) 13.966 5.380 ( 1.321 5.691 2.908) 6.526 5.629 ( -2.163 -1.959 -5.204) 5.966 5.957 ( -6.891 -5.490 2.625) 9.193 6.123 ( -9.228 -5.412 4.145) 11.473 6.322 ( -0.674 5.416 -1.029) 5.553 6.428 ( 6.193 1.570 1.428) 6.546 6.533 ( 1.265 -3.207 4.628) 5.771 6.826 ( -6.927 -7.878 -6.035) 12.102 7.250 ( 6.716 13.232 3.177) 15.176 7.667 ( 1.868 14.333 1.845) 14.572 7.689 ( 0.954 4.628 -1.845) 5.073 7.849 ( 8.200 -1.282 2.279) 8.607 8.034 ( 1.101 -3.868 2.025) 4.503 8.177 ( 4.719 8.735 -0.361) 9.934 8.776 ( 6.806 2.349 -6.756) 9.874 9.058 ( 0.929 -2.011 2.952) 3.691 9.200 ( 3.333 1.501 -0.814) 3.745 9.491 ( 1.857 12.383 -1.456) 12.605 9.641 ( 7.805 3.560 -0.710) 8.608 10.074 ( 2.372 -11.959 -4.790) 13.099 10.488 ( -9.150 11.588 3.563) 15.189 11.124 ( -7.568 2.528 6.215) 10.114 11.435 ( -15.514 -4.364 -10.080) 19.008 11.576 ( -4.723 -14.997 -1.122) 15.763 12.431 ( 16.437 1.925 2.329) 16.712 12.522 ( 10.904 0.966 1.676) 11.075 12.960 ( 6.326 -0.104 -2.585) 6.834 13.048 ( 3.619 -0.988 -2.576) 4.550 15.506 ( -11.616 8.626 2.814) 14.739 15.688 ( 3.876 2.913 6.251) 7.911 15.700 ( 5.400 1.981 7.040) 9.091 15.828 ( -3.688 0.049 0.389) 3.709 16.324 ( 2.527 11.118 3.775) 12.010 16.519 ( -18.706 -8.288 3.401) 20.740 16.778 ( -9.680 -6.874 -2.820) 12.203 17.061 ( 2.013 -4.521 -5.073) 7.087 21.100 ( 4.427 4.090 -3.488) 6.963 21.208 ( 3.144 1.784 -1.432) 3.889 23.130 ( 1.567 0.073 -2.009) 2.549 23.386 ( 0.089 -5.660 -5.228) 7.706 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 5.597 8.133 10.903) 14.709 2.102 ( 10.195 5.571 6.545) 13.335 2.356 ( 3.097 -0.312 -5.469) 6.292 2.452 ( -4.318 -2.377 1.326) 5.104 2.624 ( 0.156 -5.887 0.223) 5.894 2.745 ( -6.204 -4.230 -2.379) 7.877 2.844 ( 0.673 -3.654 -6.235) 7.258 2.985 ( -5.316 -2.156 -1.484) 5.925 3.158 ( 1.049 -6.852 4.368) 8.194 3.209 ( -3.304 2.028 -9.564) 10.320 3.369 ( -2.052 -4.607 -4.719) 6.907 3.559 ( -1.503 -3.487 -2.599) 4.601 3.853 ( -10.243 0.208 2.626) 10.577 3.919 ( -10.205 5.112 12.674) 17.056 4.014 ( -8.143 3.803 7.833) 11.922 4.215 ( 1.445 9.890 22.723) 24.824 4.522 ( -4.333 1.232 -2.874) 5.344 4.846 ( -1.730 8.864 -3.342) 9.630 4.886 ( 0.833 -3.052 -5.435) 6.289 5.286 ( 10.087 10.018 4.101) 14.796 5.436 ( -0.676 3.537 2.012) 4.125 5.571 ( 2.055 1.265 -0.938) 2.589 5.775 ( -11.456 -12.475 2.516) 17.123 6.167 ( 3.329 -3.003 2.944) 5.363 6.299 ( -1.566 1.401 4.358) 4.838 6.419 ( -12.636 -6.527 -4.048) 14.787 6.551 ( 6.010 3.147 -0.971) 6.853 6.754 ( 1.639 -1.778 -3.202) 4.012 7.323 ( -1.456 8.249 3.596) 9.116 7.607 ( -2.176 5.843 -4.086) 7.455 7.845 ( 8.178 9.030 5.752) 13.472 7.953 ( 0.863 2.149 3.460) 4.163 8.056 ( 1.178 -2.200 2.469) 3.510 8.253 ( 4.820 5.112 0.408) 7.038 8.869 ( 9.759 4.393 -2.890) 11.086 9.060 ( 3.256 -0.952 -5.491) 6.454 9.345 ( 9.007 9.089 5.590) 13.963 9.496 ( 0.569 10.389 -4.344) 11.275 9.762 ( 7.158 1.823 1.129) 7.472 10.021 ( 4.644 3.286 -11.239) 12.597 10.420 ( -6.662 3.700 8.173) 11.175 11.024 ( -18.440 -2.847 -6.285) 19.689 11.158 ( -3.596 -3.909 5.743) 7.822 11.499 ( -1.472 -14.375 -4.241) 15.060 12.660 ( 8.021 2.296 2.800) 8.801 12.714 ( 12.051 -2.091 0.900) 12.264 13.016 ( 5.106 -0.217 -3.788) 6.361 13.059 ( 2.937 0.770 -4.956) 5.813 15.362 ( -8.503 4.015 1.575) 9.535 15.614 ( -6.252 -0.559 -0.470) 6.295 15.868 ( -1.940 -2.304 0.988) 3.170 15.920 ( 4.255 0.754 7.263) 8.452 16.247 ( -12.467 -5.988 8.013) 15.984 16.411 ( -8.396 -8.057 7.834) 14.028 16.669 ( 3.963 3.847 -3.122) 6.344 17.024 ( 1.580 -2.731 -6.621) 7.334 21.125 ( 2.699 1.368 -2.099) 3.683 21.237 ( 1.943 -1.175 -0.751) 2.391 23.134 ( 2.001 0.317 -2.456) 3.184 23.320 ( -0.490 -3.962 -5.942) 7.159 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 5.054 3.549 7.863) 9.998 2.301 ( 2.952 1.438 9.191) 9.760 2.401 ( 4.727 1.983 -0.687) 5.172 2.491 ( 3.646 2.443 4.565) 6.333 2.652 ( 1.361 -4.051 -2.096) 4.760 2.663 ( 3.695 -0.294 -1.251) 3.912 2.771 ( -1.120 -3.607 -6.284) 7.332 2.857 ( -8.156 0.375 -2.346) 8.495 3.033 ( -4.403 3.312 -7.471) 9.283 3.172 ( -1.812 1.239 -3.907) 4.482 3.280 ( -6.231 -2.025 2.265) 6.933 3.484 ( -4.358 -7.881 -0.747) 9.036 3.777 ( -1.260 -4.932 1.932) 5.445 3.849 ( -1.228 -7.651 1.406) 7.876 4.068 ( -7.480 -5.266 13.283) 16.129 4.384 ( -11.918 -10.412 3.746) 16.262 4.491 ( 3.899 5.448 14.017) 15.536 4.737 ( -3.700 0.260 -6.995) 7.918 4.859 ( 0.706 7.954 -2.605) 8.400 5.378 ( -1.281 4.976 -1.698) 5.412 5.415 ( 0.685 17.085 0.794) 17.117 5.605 ( 2.555 -3.814 -1.627) 4.871 5.742 ( 0.515 -9.339 2.631) 9.717 6.144 ( -9.793 -1.945 -5.763) 11.528 6.272 ( 4.312 -3.796 5.951) 8.271 6.438 ( 2.236 -0.580 12.846) 13.052 6.599 ( 4.499 4.287 -4.067) 7.428 6.707 ( -0.804 2.154 -5.643) 6.093 7.307 ( -3.458 5.212 0.846) 6.312 7.532 ( -3.563 4.683 -0.713) 5.927 7.906 ( -2.368 4.410 0.181) 5.009 7.944 ( -3.231 3.620 -1.254) 5.012 8.258 ( 12.720 1.288 8.720) 15.476 8.345 ( 2.962 5.313 6.047) 8.577 8.935 ( 1.730 9.602 -8.935) 13.229 9.045 ( 3.557 1.155 -3.553) 5.159 9.373 ( -0.294 4.359 -3.293) 5.471 9.623 ( 10.647 7.872 5.401) 14.300 9.869 ( 5.455 -3.356 -0.188) 6.408 10.064 ( 12.872 14.377 -7.148) 20.579 10.399 ( -6.462 -3.031 4.006) 8.184 10.651 ( -17.129 -0.003 -6.318) 18.257 11.205 ( -2.564 -6.039 8.542) 10.771 11.445 ( 0.350 -12.793 -3.837) 13.361 12.774 ( 3.974 2.382 1.816) 4.976 12.884 ( 7.329 -3.772 1.447) 8.369 13.022 ( 1.729 2.054 -5.328) 5.966 13.052 ( 3.309 -0.298 -4.292) 5.428 15.287 ( -2.481 -1.961 0.698) 3.238 15.549 ( -1.465 -8.220 -0.115) 8.350 15.709 ( -13.708 -6.002 -0.102) 14.964 15.921 ( -8.759 -8.585 0.770) 12.289 16.274 ( 0.783 -0.625 6.766) 6.840 16.387 ( -2.963 -4.953 7.135) 9.177 16.789 ( 8.746 5.020 1.662) 10.221 16.971 ( 0.931 -0.636 -6.072) 6.176 21.140 ( 1.168 -1.016 -0.496) 1.625 21.252 ( 0.704 -3.559 -0.078) 3.629 23.139 ( 1.807 0.158 -2.063) 2.747 23.248 ( -0.918 -2.394 -4.812) 5.453 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 4.977 2.427 8.348) 10.018 2.399 ( 0.543 3.948 2.218) 4.561 2.463 ( -0.930 4.197 -1.493) 4.551 2.526 ( 3.242 -1.692 1.108) 3.821 2.632 ( -1.305 2.404 -4.825) 5.547 2.690 ( -4.932 2.699 -3.280) 6.509 2.713 ( 3.285 2.562 -1.839) 4.554 2.768 ( -1.970 2.778 3.351) 4.778 2.961 ( 2.235 -0.036 -1.283) 2.577 3.106 ( 0.540 0.597 -3.080) 3.184 3.225 ( -3.824 0.565 1.977) 4.342 3.407 ( -4.023 -5.316 -0.365) 6.676 3.835 ( 5.720 -13.994 1.086) 15.157 3.948 ( 10.727 -16.004 -0.052) 19.266 4.028 ( -9.098 -15.271 5.018) 18.470 4.178 ( -15.501 -18.521 1.326) 24.188 4.620 ( -2.489 4.475 -2.980) 5.925 4.669 ( 2.760 1.045 5.349) 6.109 4.856 ( 0.904 11.205 -0.590) 11.257 5.340 ( -2.637 8.457 2.967) 9.342 5.394 ( 0.367 15.244 -5.420) 16.183 5.627 ( 1.171 -7.613 -0.592) 7.725 5.812 ( 3.358 -3.218 4.952) 6.793 5.970 ( -4.697 -1.900 -5.890) 7.770 6.394 ( 1.407 -0.691 5.811) 6.019 6.556 ( -1.858 5.124 5.593) 7.809 6.587 ( 2.824 5.380 -9.750) 11.488 6.729 ( 4.306 -4.560 5.530) 8.362 7.240 ( -3.464 7.073 -1.536) 8.024 7.488 ( -1.502 5.141 0.072) 5.357 7.858 ( -1.120 2.883 -1.782) 3.570 7.875 ( -2.892 4.365 -0.409) 5.252 8.458 ( 3.243 6.714 6.316) 9.772 8.514 ( 5.405 4.877 5.425) 9.080 8.759 ( -3.379 9.147 -10.987) 14.690 9.109 ( 2.579 0.371 1.644) 3.081 9.381 ( 1.349 1.151 0.164) 1.781 9.753 ( 2.305 1.632 -1.236) 3.083 9.971 ( 6.026 -5.022 2.171) 8.139 10.212 ( 12.117 12.806 -4.618) 18.225 10.279 ( -6.380 -3.530 -3.234) 7.976 10.404 ( -12.066 8.702 2.790) 15.137 11.247 ( -1.159 -7.345 3.924) 8.408 11.424 ( 0.564 -11.794 -1.538) 11.908 12.831 ( 1.275 2.098 1.034) 2.664 12.960 ( 1.405 -0.152 -1.167) 1.833 13.002 ( 1.095 -0.908 -0.121) 1.428 13.051 ( 1.413 -0.884 -2.722) 3.192 15.294 ( 2.163 -7.300 -0.069) 7.614 15.484 ( -7.474 -12.308 0.273) 14.402 15.621 ( 4.446 -7.490 0.437) 8.721 15.754 ( -10.579 -11.932 -0.374) 15.951 16.333 ( 0.498 1.608 1.808) 2.470 16.437 ( 0.436 -1.134 2.942) 3.183 16.912 ( 3.541 2.551 1.267) 4.544 16.931 ( 0.321 1.199 -2.496) 2.788 21.150 ( 0.293 -2.445 0.059) 2.463 21.259 ( 0.124 -4.755 0.073) 4.757 23.146 ( 1.013 -0.216 -0.681) 1.240 23.194 ( -0.752 -1.342 -2.005) 2.527 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.000 19.130 0.000) 19.130 2.362 ( 0.000 22.718 0.000) 22.718 2.514 ( 0.000 -11.426 0.000) 11.426 2.524 ( 0.000 1.697 0.000) 1.697 2.624 ( 0.000 -7.641 0.000) 7.641 2.743 ( 0.000 -16.420 0.000) 16.420 2.809 ( 0.000 6.702 0.000) 6.702 2.876 ( 0.000 -0.223 0.000) 0.223 3.113 ( 0.000 -8.563 0.000) 8.563 3.123 ( 0.000 -9.239 0.000) 9.239 3.551 ( 0.000 7.639 0.000) 7.639 3.650 ( 0.000 -2.387 0.000) 2.387 3.661 ( 0.000 1.787 0.000) 1.787 3.715 ( 0.000 -4.295 0.000) 4.295 4.337 ( 0.000 23.826 0.000) 23.826 4.518 ( 0.000 12.235 0.000) 12.235 4.616 ( 0.000 -4.096 0.000) 4.096 4.765 ( 0.000 -11.521 0.000) 11.521 5.150 ( 0.000 6.638 0.000) 6.638 5.266 ( 0.000 -4.813 0.000) 4.813 5.418 ( 0.000 6.718 0.000) 6.718 5.543 ( 0.000 -5.901 0.000) 5.901 6.082 ( 0.000 3.799 0.000) 3.799 6.142 ( 0.000 -2.070 0.000) 2.070 6.368 ( 0.000 3.653 0.000) 3.653 6.375 ( 0.000 2.642 0.000) 2.642 6.831 ( 0.000 1.544 0.000) 1.544 6.870 ( 0.000 -3.133 0.000) 3.133 7.183 ( 0.000 3.098 0.000) 3.098 7.246 ( 0.000 -2.884 0.000) 2.884 7.807 ( 0.000 0.341 0.000) 0.341 7.839 ( 0.000 -3.911 0.000) 3.911 8.108 ( 0.000 15.856 0.000) 15.856 8.255 ( 0.000 5.615 0.000) 5.615 8.842 ( 0.000 -1.551 0.000) 1.551 8.937 ( 0.000 0.441 0.000) 0.441 9.115 ( 0.000 -10.324 0.000) 10.324 9.163 ( 0.000 -6.620 0.000) 6.620 9.746 ( 0.000 12.117 0.000) 12.117 9.995 ( 0.000 -13.804 0.000) 13.804 10.815 ( 0.000 23.079 0.000) 23.079 11.240 ( 0.000 -20.924 0.000) 20.924 11.576 ( 0.000 10.643 0.000) 10.643 11.774 ( 0.000 -9.757 0.000) 9.757 12.211 ( 0.000 3.310 0.000) 3.310 12.216 ( 0.000 2.893 0.000) 2.893 12.855 ( 0.000 1.769 0.000) 1.769 12.912 ( 0.000 -3.999 0.000) 3.999 15.409 ( 0.000 1.460 0.000) 1.460 15.435 ( 0.000 -1.275 0.000) 1.275 16.020 ( 0.000 7.193 0.000) 7.193 16.095 ( 0.000 0.760 0.000) 0.760 16.482 ( 0.000 16.273 0.000) 16.273 16.751 ( 0.000 -11.761 0.000) 11.761 16.886 ( 0.000 2.341 0.000) 2.341 16.987 ( 0.000 -7.082 0.000) 7.082 21.175 ( 0.000 5.166 0.000) 5.166 21.220 ( 0.000 0.683 0.000) 0.683 23.164 ( 0.000 4.452 0.000) 4.452 23.289 ( 0.000 -8.142 0.000) 8.142 ======================= Grid point 45 (26/170) ======================= q-point: ( 0.09 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -5.214 16.206 -4.219) 17.539 2.253 ( -3.118 19.657 -6.497) 20.936 2.420 ( -2.019 -6.148 -7.109) 9.614 2.553 ( -3.101 -1.128 3.918) 5.122 2.614 ( -3.622 -6.116 1.596) 7.285 2.658 ( -2.773 -17.080 -5.063) 18.029 2.822 ( 0.187 3.170 3.646) 4.835 2.918 ( -0.660 -5.624 1.147) 5.778 3.163 ( 4.154 0.605 0.398) 4.216 3.200 ( 5.967 -3.270 0.571) 6.828 3.466 ( 0.283 1.576 -7.750) 7.914 3.538 ( 2.341 -5.952 -11.452) 13.117 3.771 ( -3.656 4.667 16.756) 17.774 3.849 ( -1.592 -2.397 15.541) 15.805 4.366 ( -0.900 23.064 4.434) 23.503 4.507 ( -5.445 10.366 4.740) 12.632 4.675 ( 2.963 -2.332 3.795) 5.349 4.765 ( 0.024 -10.716 2.713) 11.054 5.068 ( -4.408 3.744 -5.236) 7.801 5.130 ( -7.194 -1.723 -6.415) 9.792 5.473 ( 1.648 6.538 2.358) 7.143 5.595 ( 3.932 -5.528 -0.163) 6.786 6.033 ( -11.980 6.481 3.780) 14.136 6.172 ( -10.706 -6.324 6.529) 14.045 6.303 ( 2.848 0.052 -1.238) 3.106 6.314 ( 3.111 -0.263 -0.004) 3.123 6.699 ( -8.483 7.390 -4.314) 12.049 6.845 ( -5.769 -7.535 -4.084) 10.331 7.298 ( 14.185 10.875 1.170) 17.913 7.468 ( 18.903 -6.262 0.957) 19.937 7.788 ( -2.842 1.553 2.535) 4.113 7.830 ( -1.254 -3.614 -0.266) 3.835 8.094 ( 0.344 14.557 -2.726) 14.814 8.256 ( -0.306 1.369 -0.389) 1.455 8.802 ( 0.866 0.365 -5.256) 5.339 8.920 ( -2.041 -8.162 0.824) 8.454 9.158 ( 8.234 6.187 2.756) 10.662 9.346 ( 12.173 -11.115 4.640) 17.124 9.722 ( -3.147 11.504 1.074) 11.975 9.943 ( -3.667 -11.263 -2.509) 12.108 10.824 ( 0.169 21.024 0.906) 21.045 11.218 ( -0.683 -18.421 -3.077) 18.689 11.472 ( -11.894 8.359 0.597) 14.550 11.653 ( -14.474 -9.362 -0.956) 17.264 12.271 ( 12.517 5.654 -3.111) 14.082 12.338 ( 10.912 -1.131 -0.206) 10.972 12.899 ( 4.523 1.777 0.295) 4.868 12.950 ( 3.645 -3.308 0.803) 4.987 15.494 ( 5.771 1.204 6.643) 8.882 15.514 ( 5.239 -0.832 6.070) 8.062 15.918 ( -11.009 8.268 -0.251) 13.771 16.010 ( -9.450 -0.508 -1.032) 9.520 16.501 ( -0.334 12.159 1.235) 12.226 16.668 ( -13.100 -5.894 1.885) 14.488 16.841 ( -3.658 0.133 -2.402) 4.379 16.947 ( -0.818 -8.167 -2.438) 8.562 21.176 ( 1.270 4.590 -1.768) 5.080 21.221 ( 0.915 0.174 -1.287) 1.588 23.166 ( 1.626 4.391 -1.978) 5.083 23.285 ( 1.352 -7.623 -2.676) 8.192 ======================= Grid point 46 (27/170) ======================= q-point: ( 0.18 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -1.643 12.492 -1.902) 12.742 2.167 ( -0.081 6.717 -5.041) 8.398 2.344 ( 0.800 0.171 -3.289) 3.390 2.495 ( -5.004 -3.202 -0.800) 5.994 2.568 ( -3.298 -3.162 1.392) 4.776 2.608 ( -1.441 -10.577 0.222) 10.677 2.884 ( -1.199 -2.507 5.180) 5.878 2.894 ( -1.353 -3.305 2.588) 4.411 3.120 ( 1.146 5.316 -10.620) 11.932 3.265 ( 4.197 -8.889 -11.390) 15.045 3.404 ( 1.171 5.387 -1.993) 5.862 3.523 ( 1.180 -6.897 -2.878) 7.566 3.885 ( -8.627 4.432 21.449) 23.540 3.953 ( -8.401 -2.051 16.657) 18.769 4.343 ( -9.468 15.817 3.415) 18.748 4.428 ( -11.631 11.630 7.863) 18.231 4.667 ( -7.355 -0.502 -0.124) 7.373 4.814 ( -3.325 -10.890 -0.401) 11.393 5.021 ( 2.752 4.036 -1.622) 5.147 5.058 ( 9.995 0.362 2.866) 10.404 5.498 ( 1.245 6.174 -1.380) 6.448 5.593 ( -0.471 -3.297 -4.812) 5.852 5.894 ( -13.428 1.567 5.234) 14.497 6.000 ( -7.582 -7.456 6.307) 12.364 6.419 ( 0.881 3.982 0.028) 4.079 6.463 ( 5.617 -0.321 2.411) 6.121 6.520 ( -2.488 4.243 -2.333) 5.444 6.660 ( -5.489 -8.878 -5.833) 11.957 7.499 ( 5.529 12.221 0.456) 13.422 7.680 ( 3.099 -5.826 -2.331) 6.998 7.833 ( 7.287 1.168 -0.097) 7.381 7.839 ( 5.208 0.789 5.204) 7.404 8.073 ( -0.477 9.355 -0.481) 9.379 8.233 ( 0.240 -3.985 -2.201) 4.559 8.810 ( 6.299 3.832 -2.410) 7.757 8.939 ( 2.278 -8.304 1.755) 8.788 9.361 ( 11.616 12.723 3.368) 17.555 9.588 ( 12.334 -8.994 2.503) 15.468 9.698 ( -1.377 9.415 1.910) 9.705 9.867 ( -1.136 -9.229 -2.862) 9.729 10.815 ( -3.992 20.480 1.040) 20.891 11.150 ( -5.351 -6.921 -0.775) 8.783 11.288 ( -7.364 -6.985 -2.812) 10.532 11.345 ( -17.974 -6.151 -6.010) 19.925 12.477 ( 14.624 2.813 -0.649) 14.906 12.522 ( 11.971 -1.393 -0.248) 12.054 12.976 ( 5.192 1.815 -1.003) 5.591 13.018 ( 4.430 -2.172 -0.943) 5.023 15.653 ( -7.136 5.646 5.394) 10.578 15.703 ( 5.953 -0.544 10.066) 11.707 15.756 ( -1.751 3.608 2.446) 4.697 15.820 ( -9.403 -1.804 -0.525) 9.589 16.405 ( -21.082 -2.315 3.419) 21.482 16.421 ( -14.457 -1.609 3.347) 14.926 16.773 ( 2.102 7.230 -4.149) 8.597 16.939 ( 3.644 -8.279 -4.644) 10.167 21.172 ( 0.894 3.344 -2.240) 4.123 21.216 ( 0.326 -1.055 -1.421) 1.800 23.169 ( 2.487 3.988 -3.440) 5.824 23.270 ( 1.747 -6.222 -4.586) 7.925 ======================= Grid point 47 (28/170) ======================= q-point: ( 0.27 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 3.701 6.585 5.042) 9.081 2.168 ( 4.096 -0.450 0.253) 4.129 2.377 ( 5.357 3.457 -0.250) 6.380 2.439 ( -1.279 -0.518 1.441) 1.995 2.541 ( -1.048 -1.835 1.144) 2.403 2.600 ( -0.282 -7.795 0.424) 7.812 2.857 ( -1.957 3.448 -0.389) 3.984 2.977 ( 0.627 -8.877 7.253) 11.480 3.016 ( -0.459 5.274 -8.435) 9.959 3.157 ( 1.081 -7.512 -12.257) 14.417 3.367 ( -2.647 3.975 -4.880) 6.828 3.463 ( -2.775 -5.633 -3.876) 7.379 3.906 ( -15.169 3.643 10.601) 18.861 3.962 ( -12.277 -1.774 18.267) 22.081 4.142 ( -18.465 12.167 3.645) 22.411 4.361 ( -13.614 -5.283 8.595) 16.945 4.525 ( -5.215 7.427 1.912) 9.274 4.720 ( -3.260 -10.089 -3.540) 11.178 5.093 ( 4.938 13.301 -0.045) 14.188 5.310 ( 10.286 -7.398 4.766) 13.537 5.498 ( 1.248 1.700 -3.180) 3.816 5.546 ( 2.238 -2.957 -1.449) 3.981 5.787 ( -5.513 12.613 4.232) 14.401 6.035 ( 1.068 -11.259 3.345) 11.794 6.305 ( -5.525 0.434 1.877) 5.851 6.333 ( -10.200 -2.530 -3.635) 11.120 6.625 ( 6.992 4.209 -0.035) 8.161 6.700 ( 5.684 -3.594 -0.353) 6.735 7.482 ( -5.139 8.171 0.923) 9.697 7.608 ( -5.627 -4.356 -1.374) 7.247 7.988 ( 4.305 1.807 2.847) 5.468 8.018 ( 7.291 -1.053 4.075) 8.418 8.069 ( 3.218 11.647 0.580) 12.098 8.251 ( 4.188 -5.722 0.036) 7.091 8.929 ( 9.609 3.529 -0.584) 10.253 9.010 ( 5.319 -4.163 -0.676) 6.788 9.560 ( 6.927 11.836 2.396) 13.922 9.687 ( -1.389 7.588 0.004) 7.714 9.734 ( 5.444 -2.215 -2.458) 6.371 9.907 ( 10.215 -11.091 -1.761) 15.181 10.707 ( -9.337 20.004 0.826) 22.091 10.969 ( -17.816 -4.702 -2.847) 18.644 11.102 ( -3.344 -1.334 0.344) 3.617 11.206 ( 1.021 -14.487 -4.911) 15.330 12.680 ( 10.558 0.421 0.252) 10.569 12.691 ( 9.766 -0.678 -0.144) 9.790 13.030 ( 4.133 1.475 -2.669) 5.136 13.057 ( 3.428 -0.974 -3.288) 4.849 15.465 ( -13.459 6.361 0.852) 14.911 15.575 ( -12.895 -4.255 -0.379) 13.584 15.843 ( -5.957 0.960 2.543) 6.548 15.896 ( -2.314 -3.204 3.812) 5.491 16.188 ( -7.936 0.254 8.868) 11.903 16.253 ( -9.462 -6.498 8.801) 14.464 16.804 ( 6.458 8.185 -3.747) 11.079 16.942 ( 3.900 -5.962 -5.597) 9.060 21.156 ( -0.299 2.067 -1.283) 2.451 21.200 ( -0.806 -2.395 -0.568) 2.590 23.166 ( 2.337 3.012 -3.945) 5.487 23.239 ( 1.224 -4.362 -5.185) 6.885 ======================= Grid point 48 (29/170) ======================= q-point: ( 0.36 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 3.712 4.562 6.912) 9.075 2.290 ( 3.318 -2.557 9.139) 10.053 2.458 ( 3.936 3.595 0.710) 5.378 2.517 ( 6.310 -1.465 0.419) 6.491 2.586 ( 5.907 -0.552 0.408) 5.947 2.625 ( 5.735 -3.195 -0.268) 6.571 2.812 ( -0.505 7.267 -4.038) 8.329 2.911 ( -1.676 3.151 -6.079) 7.049 3.036 ( -1.929 -4.611 -1.587) 5.244 3.092 ( 1.679 -7.500 2.433) 8.061 3.252 ( -4.152 4.299 -4.462) 7.459 3.370 ( -3.905 -6.541 -3.327) 8.313 3.745 ( -12.280 4.297 3.687) 13.522 3.869 ( -18.583 2.550 6.034) 19.704 3.918 ( -13.451 -4.113 5.486) 15.098 4.124 ( -20.162 -15.106 2.462) 25.313 4.589 ( 1.344 4.650 8.575) 9.847 4.668 ( -1.002 -3.924 0.066) 4.051 5.139 ( 2.670 16.400 -1.814) 16.715 5.419 ( 3.424 -12.133 -1.853) 12.742 5.489 ( 0.169 5.946 -0.495) 5.969 5.598 ( 2.094 -4.941 -0.438) 5.384 5.775 ( 0.917 14.952 -0.614) 14.992 6.020 ( -0.803 -10.305 -7.200) 12.597 6.276 ( 0.506 3.623 9.777) 10.440 6.373 ( 2.443 -5.540 12.024) 13.462 6.679 ( 2.773 3.714 -3.783) 5.983 6.724 ( 0.794 -0.739 -4.248) 4.385 7.419 ( -4.816 6.393 2.532) 8.395 7.526 ( -4.744 -4.097 2.135) 6.622 7.992 ( -3.532 3.211 -2.189) 5.252 8.002 ( -2.716 1.767 -1.185) 3.450 8.304 ( 12.402 4.073 7.380) 14.995 8.377 ( 6.484 -2.046 7.068) 9.808 9.045 ( 4.310 2.178 -3.264) 5.829 9.057 ( 3.826 0.238 -4.135) 5.638 9.506 ( -3.392 9.868 -5.935) 12.005 9.714 ( -0.858 -10.950 -3.524) 11.535 9.819 ( 8.915 12.109 2.011) 15.170 10.048 ( 7.980 -10.888 -1.922) 13.635 10.597 ( -3.797 16.107 -1.001) 16.579 10.722 ( -11.161 3.584 1.921) 11.879 11.093 ( -1.216 -3.953 2.548) 4.858 11.186 ( 1.490 -12.917 -2.778) 13.296 12.800 ( 5.212 0.918 0.251) 5.298 12.827 ( 6.414 -2.164 0.523) 6.790 13.048 ( 2.360 1.072 -3.441) 4.308 13.058 ( 2.246 0.103 -4.017) 4.603 15.295 ( -8.393 2.804 0.200) 8.851 15.392 ( -9.755 -7.256 0.025) 12.158 15.662 ( -12.469 1.036 0.309) 12.516 15.748 ( -12.943 -7.808 -0.055) 15.116 16.292 ( 2.626 1.724 7.871) 8.475 16.327 ( 1.667 -2.080 8.304) 8.721 16.879 ( 6.340 4.207 -1.658) 7.787 16.943 ( 3.423 -2.466 -4.558) 6.211 21.139 ( -0.852 1.070 -0.097) 1.371 21.183 ( -1.142 -3.371 0.253) 3.568 23.157 ( 1.563 1.707 -3.187) 3.939 23.199 ( 0.441 -2.578 -4.172) 4.924 ======================= Grid point 49 (30/170) ======================= q-point: ( 0.45 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 3.787 4.108 9.177) 10.744 2.430 ( 1.105 -1.684 8.893) 9.118 2.500 ( 1.590 0.598 -5.304) 5.569 2.513 ( -0.611 0.280 -4.606) 4.655 2.691 ( 4.820 3.818 -2.744) 6.733 2.752 ( 4.893 -1.474 -1.007) 5.208 2.804 ( 5.259 7.788 -0.770) 9.429 2.857 ( -0.417 6.666 0.361) 6.689 2.986 ( -1.850 1.638 -0.300) 2.489 3.135 ( 1.396 -2.651 -2.074) 3.644 3.159 ( -5.235 -1.824 2.857) 6.237 3.286 ( -2.198 -5.821 -1.562) 6.415 3.656 ( -3.967 -4.792 0.060) 6.221 3.696 ( -3.935 -9.072 2.870) 10.297 3.773 ( -7.171 -6.417 0.674) 9.647 3.855 ( -14.320 -12.822 0.542) 19.229 4.669 ( 0.084 1.676 0.430) 1.732 4.685 ( 0.904 0.095 3.833) 3.940 5.154 ( 1.056 16.703 -0.746) 16.753 5.434 ( 0.977 -12.276 -0.985) 12.354 5.489 ( -0.355 7.215 1.012) 7.294 5.577 ( -0.773 0.197 -2.266) 2.403 5.819 ( 2.608 5.349 2.551) 6.474 5.922 ( -1.135 -3.870 -6.300) 7.480 6.420 ( 2.007 4.456 6.801) 8.375 6.553 ( 2.263 -7.549 9.474) 12.323 6.655 ( 1.642 2.374 -5.510) 6.220 6.671 ( -0.820 0.491 -3.205) 3.345 7.385 ( -2.224 7.592 1.284) 8.015 7.499 ( -1.711 -3.628 1.536) 4.296 7.917 ( -1.970 2.622 -1.682) 3.686 7.931 ( -2.549 1.268 -1.574) 3.253 8.553 ( 7.641 3.309 6.659) 10.662 8.575 ( 4.826 1.194 8.430) 9.787 8.928 ( -3.817 8.016 -9.878) 13.282 9.055 ( -0.732 -5.355 -3.084) 6.223 9.453 ( 0.691 7.142 -1.277) 7.288 9.638 ( -1.143 -11.019 -3.621) 11.655 9.965 ( 5.132 4.535 2.384) 7.251 10.087 ( 0.046 -7.894 -1.556) 8.046 10.580 ( 3.975 14.637 -3.012) 15.463 10.633 ( -6.413 10.139 4.238) 12.724 11.103 ( -0.446 -5.510 1.388) 5.700 11.184 ( 0.571 -12.184 -0.751) 12.220 12.857 ( 1.659 1.336 0.311) 2.153 12.899 ( 2.035 -3.206 0.493) 3.829 13.036 ( 0.578 1.631 -1.914) 2.580 13.049 ( 0.860 0.070 -1.920) 2.104 15.212 ( -2.268 -0.794 -0.151) 2.408 15.278 ( -4.382 -7.801 0.300) 8.953 15.541 ( -2.666 -1.226 0.179) 2.940 15.581 ( -7.140 -5.692 -0.119) 9.132 16.376 ( 0.815 2.378 2.366) 3.452 16.413 ( 0.864 -1.547 2.871) 3.374 16.946 ( 2.616 0.963 -0.339) 2.808 16.949 ( 1.612 0.514 -1.465) 2.238 21.129 ( -0.420 0.528 0.173) 0.696 21.172 ( -0.506 -3.832 0.253) 3.874 23.149 ( 0.641 0.594 -1.185) 1.472 23.168 ( -0.052 -1.305 -1.668) 2.118 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.306 0.000 30.412) 30.413 0.690 ( 4.297 0.000 33.166) 33.443 1.325 ( -5.972 0.000 63.141) 63.423 2.455 ( 0.131 0.000 -6.972) 6.973 2.761 ( 1.333 0.000 -14.305) 14.367 2.893 ( -1.187 0.000 -6.272) 6.383 2.916 ( -4.195 0.000 3.183) 5.266 3.096 ( -0.871 0.000 -9.245) 9.286 3.326 ( -0.772 0.000 -5.473) 5.528 3.451 ( 2.831 0.000 11.238) 11.589 3.709 ( 0.856 0.000 -3.207) 3.319 3.723 ( 0.577 0.000 5.937) 5.965 3.803 ( 2.396 0.000 16.027) 16.205 4.176 ( 1.353 0.000 -3.059) 3.345 4.206 ( 15.390 0.000 8.442) 17.554 4.226 ( 3.082 0.000 -4.882) 5.774 4.317 ( -8.999 0.000 1.397) 9.107 4.525 ( -3.551 0.000 -0.510) 3.588 4.612 ( -2.142 0.000 2.235) 3.096 4.997 ( 1.665 0.000 5.920) 6.150 5.320 ( -5.015 0.000 -5.994) 7.815 5.356 ( 1.334 0.000 -1.489) 1.999 5.906 ( 0.265 0.000 5.627) 5.633 5.964 ( 0.612 0.000 -2.129) 2.215 6.070 ( -2.851 0.000 -11.172) 11.530 6.420 ( -1.504 0.000 5.085) 5.303 6.683 ( -1.012 0.000 -4.183) 4.303 6.885 ( 3.969 0.000 6.213) 7.372 6.949 ( -0.135 0.000 1.007) 1.016 7.113 ( -3.472 0.000 -6.189) 7.096 7.181 ( -1.305 0.000 -0.236) 1.326 7.552 ( 1.235 0.000 -5.157) 5.303 7.835 ( -0.778 0.000 5.361) 5.417 8.178 ( -1.155 0.000 5.160) 5.288 8.272 ( 0.331 0.000 0.414) 0.530 8.760 ( -1.462 0.000 4.306) 4.547 9.058 ( 7.961 0.000 -1.898) 8.184 9.395 ( -2.739 0.000 -5.428) 6.079 9.737 ( -5.215 0.000 -21.532) 22.155 10.478 ( 2.523 0.000 -17.643) 17.823 10.645 ( 1.461 0.000 19.912) 19.966 11.262 ( -1.273 0.000 11.463) 11.533 11.795 ( -2.643 0.000 -2.700) 3.779 11.985 ( -6.136 0.000 5.326) 8.125 12.233 ( -0.972 0.000 5.422) 5.508 12.282 ( 2.733 0.000 -2.299) 3.571 12.702 ( 1.770 0.000 -4.504) 4.839 13.057 ( -0.517 0.000 -5.319) 5.345 15.104 ( -1.982 0.000 1.394) 2.423 15.259 ( -0.557 0.000 -0.559) 0.789 15.494 ( -0.707 0.000 14.805) 14.822 15.766 ( 1.755 0.000 -0.113) 1.759 15.809 ( 5.384 0.000 -0.903) 5.459 16.939 ( 0.226 0.000 -4.996) 5.001 17.094 ( -0.380 0.000 0.661) 0.763 17.246 ( 0.577 0.000 -2.749) 2.809 20.795 ( 0.540 0.000 1.619) 1.707 20.962 ( -1.015 0.000 -0.916) 1.367 23.237 ( 0.257 0.000 0.159) 0.302 23.579 ( -0.043 0.000 -5.201) 5.201 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 14.571 0.000 25.343) 29.233 1.223 ( 16.753 0.000 27.403) 32.118 2.067 ( 16.211 0.000 50.816) 53.339 2.382 ( 4.254 0.000 -14.382) 14.998 2.602 ( 4.371 0.000 -19.222) 19.712 2.815 ( -1.478 0.000 -3.346) 3.658 2.866 ( -4.690 0.000 -2.070) 5.127 3.020 ( -0.400 0.000 -0.014) 0.401 3.192 ( -9.321 0.000 -1.438) 9.432 3.635 ( 3.196 0.000 6.937) 7.637 3.652 ( -12.742 0.000 2.782) 13.042 3.671 ( 0.543 0.000 1.030) 1.164 3.998 ( 0.541 0.000 10.085) 10.099 4.105 ( -5.282 0.000 -4.847) 7.169 4.225 ( 0.425 0.000 1.296) 1.363 4.243 ( -2.680 0.000 2.017) 3.355 4.292 ( -14.820 0.000 10.856) 18.371 4.420 ( 2.207 0.000 -10.647) 10.873 4.714 ( 4.637 0.000 10.218) 11.221 5.041 ( -14.494 0.000 -8.226) 16.666 5.145 ( 5.352 0.000 10.280) 11.589 5.470 ( 11.679 0.000 1.301) 11.751 5.825 ( -8.063 0.000 -14.639) 16.712 6.104 ( 11.371 0.000 6.650) 13.173 6.177 ( 22.202 0.000 -3.461) 22.470 6.537 ( 9.713 0.000 6.726) 11.814 6.561 ( -6.246 0.000 -6.028) 8.680 6.889 ( 3.504 0.000 -9.705) 10.319 6.988 ( 2.221 0.000 0.400) 2.257 7.046 ( -7.220 0.000 1.192) 7.318 7.147 ( -5.477 0.000 2.490) 6.016 7.552 ( 7.391 0.000 -3.716) 8.272 7.965 ( 5.696 0.000 13.327) 14.493 8.223 ( 0.681 0.000 2.295) 2.394 8.277 ( -0.437 0.000 1.007) 1.098 8.820 ( 3.149 0.000 5.043) 5.945 9.047 ( -0.032 0.000 -9.646) 9.646 9.322 ( 0.667 0.000 -3.582) 3.644 9.449 ( -8.755 0.000 -7.886) 11.783 10.234 ( -6.465 0.000 -21.967) 22.899 10.852 ( -0.422 0.000 15.867) 15.872 11.354 ( -4.439 0.000 14.926) 15.572 11.620 ( -10.744 0.000 -6.596) 12.607 12.012 ( -2.792 0.000 -3.237) 4.275 12.346 ( 15.117 0.000 1.066) 15.154 12.399 ( 5.178 0.000 6.603) 8.391 12.760 ( 10.157 0.000 -5.175) 11.400 12.979 ( 0.460 0.000 -8.232) 8.245 15.143 ( 3.489 0.000 3.071) 4.648 15.271 ( 3.632 0.000 -1.555) 3.951 15.661 ( 0.216 0.000 11.897) 11.898 15.810 ( 0.729 0.000 -1.593) 1.752 15.884 ( 9.440 0.000 8.573) 12.751 16.880 ( 1.225 0.000 -8.084) 8.176 17.068 ( -3.890 0.000 0.751) 3.961 17.209 ( -1.299 0.000 -3.171) 3.427 20.852 ( 3.388 0.000 2.992) 4.520 20.972 ( 4.232 0.000 -2.065) 4.709 23.241 ( -0.397 0.000 0.828) 0.918 23.504 ( -1.051 0.000 -6.788) 6.869 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 12.456 0.000 21.183) 24.573 1.759 ( 16.108 0.000 21.523) 26.884 2.255 ( 2.036 0.000 -16.224) 16.351 2.413 ( 5.180 0.000 -18.057) 18.785 2.748 ( -0.018 0.000 -4.353) 4.353 2.754 ( -3.252 0.000 -2.381) 4.031 2.926 ( 20.331 0.000 24.443) 31.794 3.052 ( -1.327 0.000 10.488) 10.572 3.085 ( -4.896 0.000 3.919) 6.271 3.428 ( -19.694 0.000 4.738) 20.256 3.597 ( -1.890 0.000 -0.094) 1.892 3.794 ( -10.554 0.000 5.015) 11.685 3.907 ( -7.653 0.000 -9.112) 11.900 4.049 ( 2.307 0.000 -1.694) 2.862 4.056 ( -3.453 0.000 -0.415) 3.478 4.279 ( -0.812 0.000 4.938) 5.005 4.320 ( -1.787 0.000 12.642) 12.768 4.421 ( 15.340 0.000 -14.651) 21.213 4.797 ( -8.506 0.000 -1.679) 8.670 4.906 ( 2.911 0.000 11.720) 12.076 5.363 ( 6.556 0.000 10.627) 12.486 5.518 ( -9.787 0.000 -13.881) 16.985 5.706 ( 11.641 0.000 6.359) 13.265 6.294 ( 4.858 0.000 4.536) 6.646 6.360 ( 0.746 0.000 -15.615) 15.633 6.500 ( 10.802 0.000 3.658) 11.405 6.842 ( 1.822 0.000 -9.625) 9.796 6.857 ( 15.687 0.000 6.016) 16.801 6.950 ( -2.881 0.000 1.920) 3.462 6.967 ( -6.988 0.000 -1.573) 7.163 7.055 ( -1.192 0.000 1.599) 1.994 7.638 ( 9.351 0.000 -6.944) 11.647 8.220 ( 0.957 0.000 9.047) 9.098 8.241 ( 0.732 0.000 -0.899) 1.159 8.332 ( 5.504 0.000 10.501) 11.857 8.887 ( 0.679 0.000 -17.794) 17.807 9.004 ( 12.166 0.000 8.110) 14.622 9.283 ( -4.084 0.000 0.231) 4.090 9.357 ( 0.008 0.000 3.636) 3.636 9.821 ( -11.566 0.000 -23.081) 25.817 10.966 ( -4.359 0.000 11.143) 11.965 11.339 ( -13.801 0.000 -3.747) 14.301 11.486 ( -1.115 0.000 11.500) 11.554 11.886 ( -3.352 0.000 -8.272) 8.925 12.525 ( 1.143 0.000 10.307) 10.371 12.656 ( 17.891 0.000 1.724) 17.974 12.810 ( 3.003 0.000 -9.029) 9.515 12.944 ( 8.248 0.000 -6.819) 10.702 15.272 ( 7.980 0.000 3.516) 8.720 15.340 ( 7.492 0.000 -1.828) 7.712 15.766 ( 3.110 0.000 4.338) 5.337 15.832 ( 4.935 0.000 -2.536) 5.549 16.208 ( 11.392 0.000 16.615) 20.146 16.802 ( 1.397 0.000 -9.473) 9.575 16.989 ( -7.252 0.000 1.032) 7.325 17.134 ( -3.450 0.000 -3.695) 5.055 20.964 ( 5.658 0.000 4.088) 6.980 21.043 ( 8.025 0.000 -2.937) 8.545 23.241 ( -1.433 0.000 1.656) 2.190 23.402 ( -1.996 0.000 -6.991) 7.270 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 10.768 0.000 14.770) 18.278 2.111 ( 4.753 0.000 -4.173) 6.325 2.223 ( 11.141 0.000 9.860) 14.877 2.306 ( 7.514 0.000 -17.259) 18.824 2.661 ( -5.511 0.000 -1.122) 5.624 2.681 ( -0.530 0.000 -4.178) 4.211 3.030 ( -5.776 0.000 2.188) 6.176 3.051 ( -10.348 0.000 3.801) 11.024 3.203 ( -12.206 0.000 6.202) 13.692 3.294 ( -7.245 0.000 -0.305) 7.251 3.364 ( -17.171 0.000 1.207) 17.213 3.693 ( -5.805 0.000 -10.013) 11.574 3.859 ( 15.098 0.000 13.049) 19.956 4.061 ( 2.467 0.000 -3.123) 3.980 4.222 ( 7.992 0.000 3.902) 8.894 4.330 ( 6.085 0.000 -2.034) 6.416 4.504 ( 8.731 0.000 15.142) 17.479 4.524 ( 17.965 0.000 -14.923) 23.355 4.724 ( -3.399 0.000 4.642) 5.754 5.031 ( 0.540 0.000 4.970) 5.000 5.240 ( -8.925 0.000 -8.968) 12.652 5.562 ( 3.960 0.000 9.945) 10.704 5.925 ( 6.229 0.000 5.218) 8.125 6.197 ( 2.284 0.000 -15.689) 15.854 6.386 ( -0.385 0.000 6.650) 6.661 6.520 ( -7.557 0.000 -2.709) 8.027 6.733 ( -15.614 0.000 -0.751) 15.632 6.781 ( 0.465 0.000 -5.445) 5.465 6.982 ( 6.705 0.000 -4.755) 8.220 7.051 ( 8.234 0.000 5.205) 9.741 7.291 ( 9.649 0.000 10.654) 14.374 7.678 ( 7.268 0.000 -9.366) 11.856 8.230 ( 0.014 0.000 -1.973) 1.973 8.235 ( -2.663 0.000 2.029) 3.348 8.535 ( 1.534 0.000 7.968) 8.115 8.720 ( 3.026 0.000 -16.730) 17.001 9.249 ( -5.974 0.000 7.585) 9.655 9.288 ( 3.466 0.000 4.475) 5.660 9.455 ( 8.359 0.000 1.545) 8.500 9.574 ( 13.188 0.000 -4.632) 13.978 10.952 ( -9.928 0.000 6.708) 11.982 11.052 ( -12.080 0.000 -10.126) 15.763 11.599 ( -4.268 0.000 13.846) 14.489 11.756 ( 0.373 0.000 -10.023) 10.030 12.640 ( -0.773 0.000 9.926) 9.957 12.724 ( 1.903 0.000 -10.117) 10.294 12.932 ( 13.427 0.000 2.886) 13.734 13.025 ( 8.296 0.000 -4.598) 9.485 15.458 ( 10.327 0.000 3.274) 10.834 15.462 ( 10.304 0.000 -1.671) 10.439 15.865 ( 5.389 0.000 1.201) 5.521 15.905 ( 8.141 0.000 -3.172) 8.737 16.545 ( 8.225 0.000 14.048) 16.279 16.720 ( 0.999 0.000 -8.784) 8.841 16.871 ( -9.384 0.000 2.093) 9.615 17.023 ( -4.590 0.000 -4.633) 6.521 21.109 ( 6.253 0.000 4.557) 7.737 21.150 ( 9.411 0.000 -2.999) 9.878 23.233 ( -2.563 0.000 2.634) 3.675 23.296 ( -2.354 0.000 -5.542) 6.021 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 5.654 0.000 -4.997) 7.546 2.175 ( 4.328 0.000 -0.015) 4.328 2.316 ( 7.764 0.000 -4.089) 8.775 2.492 ( 5.389 0.000 8.962) 10.458 2.572 ( -7.143 0.000 3.318) 7.876 2.631 ( -4.489 0.000 -1.817) 4.843 2.848 ( -6.705 0.000 -3.200) 7.430 2.856 ( -12.123 0.000 0.467) 12.132 3.075 ( -4.567 0.000 -3.236) 5.597 3.165 ( -4.837 0.000 4.896) 6.882 3.331 ( -7.101 0.000 7.978) 10.680 3.527 ( -2.418 0.000 -6.842) 7.257 4.054 ( 1.312 0.000 -3.530) 3.766 4.142 ( 8.473 0.000 -0.399) 8.482 4.314 ( 2.481 0.000 4.261) 4.930 4.429 ( 8.993 0.000 -2.160) 9.249 4.664 ( 19.729 0.000 -13.436) 23.870 4.728 ( -0.280 0.000 2.367) 2.384 4.877 ( 10.087 0.000 7.288) 12.444 5.024 ( -0.653 0.000 -5.527) 5.566 5.070 ( -3.768 0.000 1.234) 3.965 5.681 ( -1.464 0.000 6.626) 6.786 6.011 ( 2.129 0.000 1.169) 2.429 6.110 ( 5.924 0.000 -11.742) 13.151 6.343 ( -10.241 0.000 -1.374) 10.332 6.389 ( -4.697 0.000 1.483) 4.925 6.629 ( -4.629 0.000 13.456) 14.230 6.682 ( -7.058 0.000 -1.982) 7.331 7.020 ( 6.691 0.000 -9.137) 11.325 7.213 ( 5.244 0.000 1.753) 5.529 7.465 ( -2.103 0.000 11.335) 11.528 7.675 ( 5.593 0.000 -8.150) 9.885 8.208 ( -2.174 0.000 0.639) 2.266 8.210 ( -0.296 0.000 -0.312) 0.430 8.551 ( -2.041 0.000 0.329) 2.067 8.629 ( 6.193 0.000 -12.630) 14.067 9.249 ( -5.964 0.000 8.900) 10.713 9.363 ( 6.264 0.000 3.230) 7.048 9.633 ( 11.601 0.000 0.465) 11.610 9.930 ( 17.061 0.000 8.139) 18.902 10.761 ( -8.956 0.000 -10.161) 13.545 10.819 ( -12.618 0.000 3.332) 13.051 11.618 ( -8.305 0.000 6.573) 10.591 11.687 ( 4.369 0.000 -9.438) 10.400 12.688 ( 4.262 0.000 -4.217) 5.996 12.714 ( -2.982 0.000 8.718) 9.214 13.092 ( 5.597 0.000 -3.068) 6.383 13.127 ( 7.517 0.000 2.121) 7.810 15.616 ( 10.793 0.000 -1.242) 10.864 15.646 ( 8.865 0.000 2.202) 9.135 15.951 ( 5.136 0.000 -1.189) 5.271 16.015 ( 9.537 0.000 -2.249) 9.799 16.637 ( -1.216 0.000 -6.107) 6.227 16.670 ( -6.264 0.000 1.943) 6.559 16.822 ( -1.222 0.000 7.649) 7.746 16.904 ( -2.127 0.000 -6.150) 6.508 21.243 ( 4.057 0.000 4.015) 5.708 21.264 ( 8.213 0.000 -1.806) 8.409 23.220 ( -1.236 0.000 -2.447) 2.742 23.221 ( -3.241 0.000 3.587) 4.834 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 5.239 0.000 -2.454) 5.785 2.179 ( -4.177 0.000 -0.763) 4.246 2.333 ( 5.514 0.000 -7.759) 9.518 2.504 ( -8.527 0.000 7.850) 11.590 2.560 ( -4.258 0.000 1.324) 4.459 2.586 ( 1.429 0.000 6.479) 6.635 2.742 ( 0.546 0.000 -5.202) 5.231 2.870 ( 3.131 0.000 -1.714) 3.569 3.019 ( 3.347 0.000 -1.988) 3.893 3.120 ( -6.027 0.000 2.704) 6.605 3.275 ( -10.003 0.000 6.218) 11.778 3.497 ( 3.620 0.000 -0.278) 3.630 4.031 ( 1.187 0.000 -4.149) 4.316 4.162 ( 3.230 0.000 -7.172) 7.865 4.393 ( -1.503 0.000 2.985) 3.342 4.533 ( 5.299 0.000 -1.505) 5.509 4.700 ( -2.542 0.000 -3.759) 4.538 4.819 ( 8.452 0.000 -4.706) 9.674 4.917 ( 1.477 0.000 0.278) 1.502 4.932 ( 7.873 0.000 -15.134) 17.059 5.124 ( -3.299 0.000 1.821) 3.768 5.679 ( -2.922 0.000 1.670) 3.366 6.017 ( -4.830 0.000 2.263) 5.334 6.103 ( 5.790 0.000 -6.404) 8.633 6.214 ( 0.396 0.000 -4.043) 4.062 6.384 ( -4.858 0.000 2.882) 5.649 6.649 ( 3.772 0.000 10.003) 10.691 6.718 ( -7.846 0.000 17.071) 18.788 6.981 ( 5.095 0.000 -12.782) 13.760 7.216 ( -1.021 0.000 -7.039) 7.112 7.524 ( -5.808 0.000 11.524) 12.905 7.708 ( 6.103 0.000 -2.440) 6.573 8.188 ( -1.191 0.000 0.184) 1.205 8.228 ( 1.041 0.000 2.570) 2.773 8.548 ( -0.059 0.000 2.367) 2.368 8.637 ( 9.096 0.000 -7.832) 12.003 9.245 ( -6.965 0.000 8.265) 10.809 9.454 ( -0.103 0.000 -0.096) 0.141 9.770 ( 5.289 0.000 -2.568) 5.879 10.126 ( 1.630 0.000 -1.353) 2.119 10.657 ( 4.275 0.000 1.443) 4.512 10.686 ( -7.268 0.000 3.599) 8.110 11.492 ( -8.800 0.000 -3.272) 9.388 11.680 ( 7.003 0.000 -8.366) 10.910 12.736 ( -5.486 0.000 7.364) 9.183 12.763 ( 4.711 0.000 3.850) 6.084 13.135 ( 3.419 0.000 -1.736) 3.834 13.210 ( 1.208 0.000 0.329) 1.252 15.751 ( 6.457 0.000 -0.339) 6.466 15.757 ( 2.413 0.000 0.707) 2.514 15.990 ( 2.329 0.000 -2.735) 3.592 16.136 ( 6.604 0.000 -0.695) 6.640 16.558 ( -1.171 0.000 -3.109) 3.322 16.570 ( -5.393 0.000 0.660) 5.433 16.832 ( -5.032 0.000 0.340) 5.043 16.844 ( 3.910 0.000 -6.682) 7.741 21.308 ( -0.759 0.000 2.644) 2.751 21.358 ( 4.571 0.000 0.184) 4.575 23.212 ( -3.092 0.000 3.915) 4.988 23.215 ( 1.453 0.000 1.441) 2.047 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -9.566 0.000 -6.122) 11.357 2.221 ( 1.556 0.000 -1.586) 2.222 2.380 ( 8.150 0.000 -5.489) 9.826 2.407 ( -7.895 0.000 -2.820) 8.383 2.532 ( -2.095 0.000 9.995) 10.213 2.729 ( 6.231 0.000 -7.400) 9.674 2.777 ( 5.720 0.000 11.058) 12.450 2.845 ( 4.222 0.000 -0.923) 4.322 3.050 ( -4.891 0.000 0.598) 4.928 3.119 ( 6.502 0.000 -2.142) 6.845 3.195 ( -4.902 0.000 5.305) 7.223 3.585 ( 6.652 0.000 -1.916) 6.922 3.997 ( 1.027 0.000 -4.729) 4.839 4.091 ( -3.136 0.000 -10.169) 10.641 4.324 ( -7.726 0.000 1.773) 7.927 4.525 ( -4.068 0.000 -1.569) 4.360 4.589 ( -2.682 0.000 -5.960) 6.536 4.759 ( 3.283 0.000 -11.912) 12.356 4.825 ( -16.862 0.000 -8.565) 18.913 5.017 ( 5.984 0.000 -0.280) 5.990 5.130 ( 5.100 0.000 10.994) 12.119 5.621 ( -5.313 0.000 -2.193) 5.748 5.990 ( -0.186 0.000 0.093) 0.208 6.162 ( 7.589 0.000 -2.158) 7.890 6.223 ( 6.239 0.000 -1.816) 6.498 6.335 ( -0.062 0.000 -1.240) 1.241 6.737 ( -11.693 0.000 13.459) 17.829 6.932 ( 7.954 0.000 16.819) 18.605 6.956 ( 6.574 0.000 -6.659) 9.358 7.066 ( -4.192 0.000 -10.333) 11.151 7.509 ( -9.163 0.000 5.373) 10.622 7.787 ( 5.422 0.000 -0.740) 5.472 8.169 ( -0.759 0.000 -0.760) 1.074 8.288 ( 2.016 0.000 3.046) 3.653 8.560 ( -2.945 0.000 0.096) 2.947 8.743 ( 11.422 0.000 -2.308) 11.653 9.203 ( -8.406 0.000 5.980) 10.317 9.375 ( -4.920 0.000 -1.083) 5.038 9.729 ( -4.799 0.000 -3.072) 5.698 10.052 ( -6.776 0.000 -0.754) 6.818 10.682 ( 0.309 0.000 3.297) 3.312 10.816 ( 7.974 0.000 3.024) 8.529 11.321 ( -3.205 0.000 -7.423) 8.085 11.723 ( 9.256 0.000 -6.968) 11.585 12.706 ( -7.918 0.000 6.477) 10.230 12.894 ( 2.890 0.000 7.946) 8.456 13.163 ( 1.726 0.000 -0.667) 1.850 13.175 ( -4.555 0.000 -1.492) 4.793 15.719 ( -6.814 0.000 -1.123) 6.906 15.780 ( -3.635 0.000 1.103) 3.799 15.960 ( -1.803 0.000 -3.559) 3.990 16.168 ( -2.158 0.000 0.103) 2.161 16.550 ( 1.895 0.000 -1.036) 2.160 16.575 ( 6.641 0.000 -1.869) 6.899 16.680 ( -8.824 0.000 -4.890) 10.088 16.882 ( 8.401 0.000 -4.343) 9.458 21.276 ( -5.929 0.000 1.533) 6.124 21.401 ( -0.792 0.000 1.792) 1.959 23.210 ( -2.133 0.000 3.171) 3.822 23.293 ( 3.985 0.000 4.282) 5.849 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -19.114 0.000 -15.955) 24.898 2.020 ( -15.833 0.000 -9.246) 18.335 2.427 ( 3.966 0.000 9.153) 9.976 2.456 ( 7.856 0.000 -3.832) 8.741 2.671 ( 6.905 0.000 6.308) 9.353 2.782 ( 9.983 0.000 -5.643) 11.467 2.886 ( 4.734 0.000 5.519) 7.271 2.977 ( -3.914 0.000 -1.504) 4.193 3.093 ( 0.878 0.000 5.549) 5.619 3.172 ( 13.976 0.000 5.097) 14.877 3.248 ( -0.041 0.000 1.797) 1.797 3.584 ( 6.063 0.000 -17.912) 18.910 3.795 ( -19.150 0.000 -7.745) 20.657 4.000 ( 2.339 0.000 1.994) 3.074 4.198 ( -6.773 0.000 -5.300) 8.600 4.380 ( -22.359 0.000 -6.732) 23.351 4.425 ( -5.659 0.000 -0.011) 5.659 4.578 ( 5.243 0.000 -0.082) 5.244 4.700 ( 2.274 0.000 -8.145) 8.456 5.042 ( -6.412 0.000 5.386) 8.374 5.407 ( 11.117 0.000 13.308) 17.341 5.457 ( -8.887 0.000 -6.784) 11.181 5.943 ( -3.549 0.000 -2.235) 4.195 6.261 ( 5.477 0.000 -1.324) 5.635 6.365 ( 7.238 0.000 -3.402) 7.998 6.419 ( 12.886 0.000 4.424) 13.624 6.666 ( -8.548 0.000 6.114) 10.509 6.860 ( -4.195 0.000 -11.955) 12.670 7.020 ( 3.856 0.000 0.641) 3.909 7.213 ( 2.115 0.000 16.244) 16.381 7.329 ( -15.370 0.000 -3.218) 15.703 7.847 ( 2.858 0.000 -0.819) 2.973 8.147 ( -0.368 0.000 -2.093) 2.125 8.338 ( 1.083 0.000 0.920) 1.421 8.408 ( -10.349 0.000 -5.844) 11.885 8.930 ( 12.235 0.000 0.899) 12.268 9.115 ( -8.261 0.000 2.609) 8.663 9.326 ( -6.731 0.000 2.077) 7.044 9.632 ( -5.991 0.000 4.195) 7.314 9.994 ( -1.523 0.000 10.023) 10.138 10.704 ( 0.045 0.000 -1.946) 1.946 10.871 ( 4.192 0.000 -11.212) 11.970 11.301 ( 5.719 0.000 0.577) 5.748 11.816 ( 10.780 0.000 -5.046) 11.902 12.637 ( -9.694 0.000 6.435) 11.635 13.010 ( 0.439 0.000 7.784) 7.797 13.046 ( -8.695 0.000 -2.234) 8.978 13.171 ( -0.580 0.000 0.120) 0.592 15.545 ( -11.758 0.000 -2.218) 11.965 15.681 ( -9.955 0.000 1.812) 10.119 15.856 ( -6.133 0.000 -3.782) 7.205 16.089 ( -6.736 0.000 -1.102) 6.826 16.371 ( -12.904 0.000 -8.482) 15.442 16.688 ( 9.054 0.000 -1.207) 9.134 16.695 ( 8.817 0.000 0.406) 8.827 16.996 ( 9.330 0.000 -1.465) 9.444 21.169 ( -9.099 0.000 1.314) 9.193 21.369 ( -6.099 0.000 2.350) 6.536 23.214 ( -0.867 0.000 1.741) 1.945 23.416 ( 4.713 0.000 4.831) 6.749 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -23.034 0.000 -16.731) 28.469 1.604 ( -23.542 0.000 -9.478) 25.379 2.484 ( -4.777 0.000 -4.686) 6.691 2.659 ( 5.743 0.000 13.898) 15.037 2.827 ( 6.248 0.000 2.250) 6.641 2.873 ( -18.752 0.000 -3.992) 19.172 2.902 ( 0.542 0.000 -0.502) 0.739 2.949 ( 16.436 0.000 -4.762) 17.111 3.106 ( -3.553 0.000 5.349) 6.422 3.170 ( -5.147 0.000 12.233) 13.271 3.414 ( 6.517 0.000 -3.671) 7.479 3.447 ( 7.082 0.000 -21.647) 22.776 3.576 ( 2.411 0.000 -3.565) 4.303 3.984 ( -10.441 0.000 -8.841) 13.681 4.083 ( 3.465 0.000 2.555) 4.305 4.144 ( -0.213 0.000 3.319) 3.326 4.369 ( -3.570 0.000 3.188) 4.787 4.628 ( -1.895 0.000 -6.133) 6.419 4.740 ( 11.684 0.000 3.855) 12.304 4.951 ( -12.204 0.000 5.930) 13.568 5.219 ( -9.668 0.000 -8.078) 12.598 5.746 ( 12.415 0.000 13.562) 18.386 5.845 ( -6.976 0.000 -1.239) 7.085 6.271 ( 0.498 0.000 -5.612) 5.634 6.439 ( 5.247 0.000 -4.359) 6.821 6.477 ( -12.790 0.000 8.030) 15.102 6.729 ( 3.426 0.000 -6.810) 7.623 6.766 ( 10.892 0.000 -1.082) 10.946 6.999 ( -15.195 0.000 -5.800) 16.264 7.048 ( -1.469 0.000 0.228) 1.487 7.345 ( -3.628 0.000 9.965) 10.605 7.837 ( -2.912 0.000 -2.096) 3.588 8.072 ( -7.024 0.000 -3.460) 7.830 8.229 ( -3.249 0.000 -2.218) 3.934 8.332 ( -1.900 0.000 -1.184) 2.239 9.011 ( -1.201 0.000 -5.000) 5.142 9.120 ( 4.965 0.000 5.726) 7.578 9.125 ( -17.347 0.000 0.338) 17.350 9.690 ( 0.782 0.000 14.957) 14.977 10.285 ( 14.856 0.000 18.144) 23.450 10.619 ( -3.332 0.000 -8.979) 9.578 10.769 ( 4.845 0.000 -17.483) 18.142 11.443 ( 8.133 0.000 2.803) 8.603 11.936 ( 10.139 0.000 -3.757) 10.812 12.551 ( -10.031 0.000 6.492) 11.948 12.876 ( -10.043 0.000 -0.486) 10.054 13.065 ( -3.011 0.000 4.680) 5.565 13.144 ( -2.625 0.000 0.526) 2.677 15.334 ( -11.461 0.000 -1.709) 11.588 15.535 ( -10.413 0.000 1.691) 10.549 15.691 ( -9.424 0.000 -3.448) 10.034 15.941 ( -8.093 0.000 -4.277) 9.154 16.085 ( -11.954 0.000 -6.040) 13.394 16.815 ( 7.606 0.000 -0.184) 7.609 16.849 ( 9.238 0.000 0.559) 9.255 17.121 ( 7.299 0.000 -0.291) 7.305 21.034 ( -9.651 0.000 1.559) 9.776 21.269 ( -9.270 0.000 2.029) 9.489 23.220 ( 0.076 0.000 0.436) 0.443 23.531 ( 3.830 0.000 3.280) 5.043 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -23.780 0.000 2.499) 23.911 1.088 ( -30.564 0.000 -5.455) 31.047 1.916 ( -53.394 0.000 0.716) 53.399 2.680 ( -7.294 0.000 -0.362) 7.303 2.742 ( 2.939 0.000 -0.562) 2.992 2.924 ( 3.137 0.000 1.791) 3.612 3.094 ( -5.160 0.000 3.198) 6.070 3.151 ( 17.511 0.000 10.156) 20.243 3.189 ( 18.958 0.000 -3.503) 19.279 3.275 ( -2.466 0.000 5.322) 5.865 3.313 ( -3.743 0.000 -6.136) 7.187 3.384 ( 8.078 0.000 -10.094) 12.928 3.626 ( 6.456 0.000 -2.917) 7.085 3.781 ( -5.235 0.000 -4.547) 6.934 4.136 ( 2.876 0.000 -2.156) 3.595 4.304 ( 9.813 0.000 3.429) 10.395 4.373 ( -1.832 0.000 2.939) 3.463 4.515 ( -3.536 0.000 -3.903) 5.267 4.810 ( -11.906 0.000 3.494) 12.408 5.009 ( 16.476 0.000 2.713) 16.698 5.023 ( -5.841 0.000 -3.612) 6.868 5.683 ( -11.827 0.000 -1.260) 11.894 6.048 ( 5.454 0.000 11.279) 12.528 6.191 ( -1.888 0.000 -1.530) 2.430 6.302 ( -19.056 0.000 4.709) 19.629 6.468 ( 7.730 0.000 -4.850) 9.126 6.598 ( -12.562 0.000 -4.405) 13.312 6.795 ( 8.294 0.000 -2.474) 8.655 6.911 ( -4.997 0.000 -2.838) 5.747 7.089 ( 6.895 0.000 2.202) 7.238 7.338 ( -5.085 0.000 3.132) 5.972 7.693 ( -9.325 0.000 -6.495) 11.364 7.913 ( -8.283 0.000 -0.214) 8.286 8.220 ( 1.933 0.000 -0.386) 1.971 8.255 ( -5.155 0.000 -1.598) 5.396 8.888 ( -12.694 0.000 1.721) 12.810 8.952 ( 0.084 0.000 -4.071) 4.072 9.243 ( 3.639 0.000 5.226) 6.368 9.960 ( 6.606 0.000 21.204) 22.209 10.405 ( -6.513 0.000 -15.540) 16.849 10.658 ( 3.191 0.000 -10.276) 10.760 10.746 ( 19.047 0.000 9.885) 21.459 11.600 ( 8.970 0.000 1.265) 9.059 12.042 ( 7.576 0.000 -2.286) 7.913 12.461 ( -8.485 0.000 2.989) 8.996 12.751 ( -7.130 0.000 2.610) 7.593 12.987 ( -9.279 0.000 0.018) 9.279 13.129 ( -0.873 0.000 0.513) 1.013 15.168 ( -8.445 0.000 0.911) 8.494 15.400 ( -8.516 0.000 1.053) 8.581 15.511 ( -9.549 0.000 -0.170) 9.551 15.750 ( -7.564 0.000 -7.363) 10.555 15.884 ( -7.499 0.000 -2.534) 7.916 16.915 ( 4.808 0.000 0.301) 4.818 16.982 ( 6.591 0.000 0.605) 6.619 17.210 ( 4.531 0.000 -0.516) 4.560 20.911 ( -7.945 0.000 1.483) 8.082 21.138 ( -9.194 0.000 1.244) 9.278 23.225 ( 0.507 0.000 -0.238) 0.560 23.601 ( 2.356 0.000 0.490) 2.407 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -17.816 0.000 29.947) 34.846 0.609 ( -29.479 0.000 13.252) 32.321 1.160 ( -53.212 0.000 32.255) 62.225 2.553 ( -5.725 0.000 -2.725) 6.340 2.798 ( 3.334 0.000 -1.050) 3.496 2.954 ( 1.039 0.000 -3.025) 3.199 2.997 ( -4.214 0.000 -3.495) 5.475 3.153 ( -4.413 0.000 1.226) 4.580 3.327 ( 10.924 0.000 -10.200) 14.945 3.340 ( -0.890 0.000 4.521) 4.607 3.516 ( 10.706 0.000 5.921) 12.234 3.564 ( 10.815 0.000 15.298) 18.734 3.695 ( 4.689 0.000 -1.014) 4.797 3.770 ( 5.098 0.000 10.975) 12.101 4.145 ( 4.388 0.000 -4.920) 6.592 4.304 ( -3.851 0.000 -4.488) 5.914 4.419 ( 5.025 0.000 -6.713) 8.386 4.511 ( 1.167 0.000 3.165) 3.373 4.678 ( -7.295 0.000 1.126) 7.381 4.958 ( -1.723 0.000 1.670) 2.400 5.253 ( 13.006 0.000 -1.771) 13.126 5.469 ( -11.082 0.000 -2.419) 11.343 6.021 ( -18.571 0.000 3.122) 18.832 6.133 ( -7.498 0.000 6.389) 9.851 6.180 ( -1.267 0.000 -2.664) 2.950 6.444 ( -7.003 0.000 2.828) 7.552 6.614 ( 12.849 0.000 -1.912) 12.991 6.819 ( -2.008 0.000 0.673) 2.118 6.884 ( 2.638 0.000 2.680) 3.760 7.180 ( 2.070 0.000 0.518) 2.133 7.325 ( -3.326 0.000 1.797) 3.780 7.447 ( 0.423 0.000 -10.116) 10.125 7.831 ( -3.865 0.000 2.356) 4.526 8.176 ( -4.442 0.000 2.665) 5.180 8.252 ( 1.771 0.000 0.243) 1.787 8.772 ( -5.825 0.000 3.216) 6.654 8.930 ( 1.727 0.000 0.588) 1.824 9.366 ( 5.601 0.000 3.856) 6.800 10.083 ( -8.069 0.000 -21.202) 22.686 10.323 ( 7.693 0.000 23.129) 24.375 10.583 ( 5.797 0.000 -15.258) 16.323 11.094 ( 7.677 0.000 11.979) 14.228 11.749 ( 8.474 0.000 -0.276) 8.479 12.135 ( 4.757 0.000 2.212) 5.246 12.348 ( -5.833 0.000 -3.620) 6.865 12.553 ( -18.866 0.000 -21.162) 28.351 12.815 ( -9.152 0.000 -2.783) 9.565 13.108 ( -0.703 0.000 -2.203) 2.312 15.123 ( -1.749 0.000 4.825) 5.132 15.300 ( -5.028 0.000 0.726) 5.080 15.422 ( -5.579 0.000 6.643) 8.675 15.610 ( -0.582 0.000 5.200) 5.233 15.784 ( -3.051 0.000 -0.938) 3.192 16.967 ( 1.773 0.000 -0.973) 2.022 17.065 ( 3.126 0.000 0.621) 3.187 17.252 ( 2.255 0.000 -1.699) 2.824 20.820 ( -4.757 0.000 0.205) 4.761 21.023 ( -6.056 0.000 0.229) 6.061 23.231 ( 0.544 0.000 -0.260) 0.602 23.616 ( 1.020 0.000 -2.606) 2.799 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -3.391 25.530 18.182) 31.525 0.992 ( -2.388 22.123 24.555) 33.137 1.714 ( 0.213 37.234 46.571) 59.626 2.516 ( 0.669 5.631 -7.740) 9.595 2.764 ( 0.325 -1.484 -9.256) 9.379 2.876 ( -1.637 -3.068 -1.799) 3.915 2.909 ( -1.849 -0.020 -6.034) 6.311 3.101 ( -2.027 1.130 -9.209) 9.497 3.319 ( 0.490 -0.927 -5.754) 5.849 3.364 ( 0.220 -5.578 10.979) 12.317 3.587 ( 1.500 -10.455 -1.631) 10.687 3.750 ( -1.931 -0.612 0.294) 2.047 3.806 ( 5.563 1.378 15.846) 16.850 3.928 ( 8.184 -13.417 19.596) 25.120 4.136 ( -2.969 -6.920 0.180) 7.533 4.235 ( 2.585 -0.360 -3.894) 4.688 4.386 ( -3.817 7.970 -1.702) 8.999 4.573 ( -0.338 3.116 0.955) 3.277 4.721 ( -2.577 9.478 -2.640) 10.171 4.993 ( 0.437 0.704 4.996) 5.064 5.318 ( -3.195 0.024 -4.611) 5.610 5.500 ( 2.204 8.099 -6.039) 10.341 5.936 ( 2.547 3.540 2.635) 5.095 6.016 ( -2.573 2.057 -3.913) 5.115 6.162 ( -3.630 10.581 -7.450) 13.440 6.349 ( -0.069 -5.010 11.017) 12.103 6.605 ( 3.081 -6.487 3.329) 7.916 6.905 ( -1.973 2.448 3.530) 4.727 6.972 ( 0.951 5.476 1.585) 5.780 7.181 ( -2.368 17.988 4.165) 18.615 7.206 ( 4.648 0.691 -0.898) 4.784 7.402 ( 2.813 -2.795 3.189) 5.089 8.076 ( 0.927 -0.408 -0.148) 1.024 8.172 ( 1.099 -3.307 -2.876) 4.519 8.612 ( -6.551 24.551 -15.940) 29.996 8.764 ( -3.646 2.641 2.116) 4.974 9.084 ( 7.562 2.225 -2.494) 8.268 9.394 ( 0.769 0.067 -4.828) 4.890 9.684 ( -6.869 -5.812 -19.542) 21.514 10.445 ( -0.427 -3.095 -13.985) 14.329 10.604 ( 2.470 -4.155 18.398) 19.023 11.262 ( -1.199 0.178 9.803) 9.877 11.730 ( 6.034 -3.316 3.530) 7.738 11.896 ( -8.735 -3.131 7.763) 12.098 12.203 ( -4.420 -2.746 5.205) 7.360 12.257 ( 4.114 -2.218 -0.077) 4.674 12.744 ( 2.320 2.280 -5.799) 6.649 13.049 ( -0.508 -0.878 -4.898) 5.002 15.183 ( 0.891 10.199 2.855) 10.628 15.455 ( -3.188 10.874 -5.053) 12.408 15.503 ( -0.498 0.944 14.375) 14.414 15.761 ( 2.305 0.094 1.083) 2.548 15.855 ( 3.624 4.517 -1.567) 6.000 16.949 ( 0.247 0.732 -5.080) 5.138 17.069 ( 0.329 -2.410 0.670) 2.523 17.235 ( 0.389 -1.488 -2.603) 3.023 20.763 ( -0.650 0.572 0.312) 0.920 20.992 ( -1.300 2.395 -1.008) 2.905 23.215 ( 0.173 -2.183 0.091) 2.192 23.562 ( -0.015 -1.941 -5.290) 5.635 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 12.318 13.910 20.565) 27.715 1.332 ( 9.212 10.093 26.532) 29.844 2.345 ( 13.939 26.601 39.413) 49.551 2.418 ( 2.463 3.044 -14.468) 14.988 2.650 ( 4.822 2.263 -14.753) 15.685 2.822 ( -1.481 0.268 -3.126) 3.470 2.850 ( -4.629 -1.352 1.189) 4.967 2.998 ( -0.168 -0.552 -4.053) 4.094 3.198 ( -7.626 0.275 -3.272) 8.303 3.499 ( -0.808 -10.318 7.863) 12.998 3.581 ( 1.262 -8.565 -1.380) 8.767 3.672 ( -4.938 -1.345 0.745) 5.172 3.992 ( -7.508 -11.736 -1.002) 13.968 4.022 ( 0.932 1.646 10.799) 10.964 4.133 ( -2.844 -2.880 6.906) 8.004 4.238 ( -5.419 -0.318 8.318) 9.932 4.323 ( -5.896 6.878 -2.665) 9.443 4.579 ( 3.283 11.044 -5.407) 12.728 4.730 ( 4.350 1.560 6.084) 7.640 4.992 ( -9.521 -2.633 -4.362) 10.799 5.209 ( 0.639 4.637 6.965) 8.392 5.548 ( 7.863 5.979 -2.827) 10.274 5.851 ( -5.164 2.240 -10.477) 11.893 6.102 ( 6.722 1.427 5.192) 8.612 6.224 ( 17.679 3.970 -3.961) 18.548 6.477 ( 0.923 -3.484 5.847) 6.869 6.642 ( 4.908 5.412 -0.226) 7.310 6.863 ( 1.089 -3.171 -5.740) 6.647 7.038 ( 1.274 4.300 3.646) 5.780 7.131 ( -4.362 10.540 1.324) 11.484 7.273 ( -4.076 10.707 1.180) 11.518 7.554 ( 13.144 0.513 -0.297) 13.158 8.066 ( -2.833 3.958 6.721) 8.299 8.191 ( 2.718 -2.123 1.527) 3.772 8.401 ( -2.331 14.072 -6.397) 15.633 8.766 ( 0.695 -2.774 0.914) 3.002 9.104 ( 3.083 3.791 -7.544) 8.988 9.349 ( 1.344 1.535 -7.739) 8.004 9.420 ( -8.114 -1.504 -0.579) 8.272 10.217 ( -6.055 -1.510 -20.264) 21.203 10.789 ( -2.040 -6.145 15.606) 16.896 11.336 ( -4.059 -1.839 13.674) 14.382 11.619 ( -10.943 -0.117 -7.847) 13.466 11.973 ( -3.078 -3.594 -0.049) 4.732 12.277 ( 16.112 -5.711 2.310) 17.250 12.400 ( 5.160 0.223 7.857) 9.402 12.783 ( 8.970 1.755 -5.313) 10.572 12.979 ( 0.645 -0.014 -7.752) 7.778 15.238 ( 1.570 9.546 2.925) 10.107 15.391 ( 1.505 10.015 -2.963) 10.552 15.674 ( 0.069 1.438 12.440) 12.523 15.826 ( 0.161 1.305 0.085) 1.318 15.904 ( 9.244 2.633 7.071) 11.932 16.881 ( -0.063 -0.111 -7.528) 7.530 17.046 ( -4.042 -2.301 0.573) 4.686 17.187 ( -2.285 -2.418 -3.330) 4.707 20.832 ( 5.955 -0.429 1.998) 6.296 20.994 ( 4.087 2.124 -2.444) 5.214 23.217 ( -0.491 -2.436 0.701) 2.582 23.487 ( -0.890 -1.870 -6.847) 7.153 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 9.757 6.742 19.695) 22.990 1.811 ( 15.270 4.636 20.628) 26.081 2.260 ( 1.822 0.852 -15.204) 15.336 2.539 ( 4.704 9.024 -18.531) 21.141 2.729 ( -3.011 -0.313 -0.419) 3.056 2.782 ( -0.805 2.183 -5.197) 5.694 2.923 ( 1.454 -4.786 7.551) 9.057 3.009 ( 2.017 1.011 9.303) 9.572 3.151 ( 1.239 5.264 12.629) 13.738 3.411 ( -14.027 -2.445 3.730) 14.719 3.550 ( 0.825 -4.552 0.943) 4.721 3.748 ( -5.061 -3.054 5.949) 8.387 3.865 ( -3.618 -6.726 -2.630) 8.078 4.028 ( -6.224 -1.293 -0.960) 6.430 4.043 ( -3.480 -0.627 -3.089) 4.695 4.239 ( 3.386 1.686 -0.806) 3.867 4.310 ( -0.696 2.730 11.880) 12.209 4.595 ( 6.981 10.113 -6.381) 13.846 4.758 ( -6.600 -1.618 -0.931) 6.859 4.932 ( 2.226 2.210 8.958) 9.491 5.389 ( 5.789 1.606 9.933) 11.609 5.492 ( -5.322 0.231 -10.363) 11.652 5.828 ( 7.718 9.391 2.711) 12.454 6.238 ( 5.796 -3.831 2.444) 7.365 6.368 ( 1.505 0.411 -10.843) 10.955 6.495 ( 3.933 -0.183 3.303) 5.139 6.785 ( 3.627 -7.190 -4.792) 9.371 6.887 ( 7.755 4.502 3.352) 9.573 6.948 ( -10.519 -0.468 -1.142) 10.592 7.134 ( -0.229 12.697 1.934) 12.845 7.236 ( 3.798 17.952 0.712) 18.363 7.708 ( 11.130 6.816 -5.971) 14.352 8.174 ( -2.433 -3.512 10.674) 11.498 8.283 ( 1.113 -3.973 5.220) 6.654 8.345 ( 5.655 9.188 -3.058) 11.214 8.789 ( 6.791 -4.626 -9.280) 12.395 9.101 ( 7.826 4.781 -1.668) 9.321 9.281 ( -2.290 0.211 1.751) 2.891 9.424 ( -0.024 7.179 5.175) 8.850 9.828 ( -10.717 0.840 -21.728) 24.242 10.887 ( -4.782 -7.726 11.608) 14.741 11.323 ( -14.154 -1.759 -6.878) 15.834 11.455 ( -1.560 -3.063 12.959) 13.407 11.850 ( -4.322 -3.932 -7.353) 9.392 12.541 ( 3.617 1.143 9.623) 10.344 12.616 ( 16.924 -3.159 2.863) 17.452 12.839 ( 3.844 2.543 -7.798) 9.058 12.934 ( 7.070 -0.943 -7.334) 10.231 15.293 ( 2.754 3.047 1.778) 4.475 15.441 ( 6.491 8.776 -0.451) 10.925 15.766 ( 2.602 0.460 2.520) 3.651 15.859 ( 4.326 2.355 0.249) 4.931 16.223 ( 11.842 1.764 16.036) 20.012 16.785 ( -1.771 -2.179 -7.000) 7.542 16.959 ( -6.528 -2.818 -0.952) 7.173 17.093 ( -4.444 -4.212 -3.909) 7.265 20.963 ( 6.851 0.249 2.933) 7.457 21.063 ( 8.060 2.100 -2.755) 8.773 23.214 ( -1.380 -2.644 1.406) 3.297 23.389 ( -1.688 -1.471 -6.875) 7.230 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 9.464 2.621 14.820) 17.778 2.129 ( 5.299 2.783 -3.502) 6.935 2.268 ( 10.359 3.569 9.562) 14.542 2.403 ( 4.908 7.417 -16.842) 19.046 2.649 ( -5.343 -1.366 -0.386) 5.528 2.712 ( -0.921 3.501 -3.621) 5.120 2.949 ( -2.852 -6.987 3.605) 8.363 3.028 ( -4.621 -4.492 -0.193) 6.448 3.144 ( -13.140 -3.159 4.840) 14.355 3.250 ( -13.935 -3.830 -4.631) 15.176 3.420 ( -13.940 3.105 3.565) 14.720 3.699 ( -7.702 0.615 -7.528) 10.788 3.879 ( 12.698 3.775 12.116) 17.952 4.068 ( 4.785 -1.803 -2.365) 5.634 4.119 ( 10.024 -8.971 1.471) 13.532 4.311 ( 7.185 -0.661 -1.814) 7.440 4.482 ( 7.379 2.694 6.176) 9.993 4.643 ( 4.056 4.667 2.498) 6.669 4.728 ( 4.165 3.243 0.474) 5.299 5.006 ( -2.415 -1.190 2.766) 3.860 5.294 ( -5.174 4.600 -6.674) 9.616 5.585 ( 4.342 1.438 8.934) 10.037 5.966 ( 4.536 3.690 0.305) 5.855 6.234 ( -0.671 3.946 -10.028) 10.797 6.340 ( 1.929 -4.316 3.284) 5.757 6.498 ( -4.440 -0.946 -1.757) 4.868 6.670 ( -12.351 -4.878 0.574) 13.291 6.771 ( -3.153 -4.711 -3.430) 6.626 7.047 ( 3.202 4.454 1.856) 5.791 7.169 ( 3.067 11.844 3.144) 12.632 7.412 ( 11.116 13.882 2.926) 18.024 7.779 ( 5.816 9.334 -6.972) 13.021 8.185 ( -2.161 -4.013 1.153) 4.702 8.244 ( -0.350 0.689 -3.799) 3.877 8.514 ( 4.309 -0.504 5.464) 6.977 8.780 ( 7.025 4.804 -10.627) 13.615 9.262 ( -1.044 1.189 6.892) 7.071 9.320 ( 0.753 4.300 1.786) 4.717 9.453 ( 9.363 0.491 -0.851) 9.414 9.644 ( 8.599 6.539 -0.373) 10.809 10.882 ( -9.045 -7.024 6.706) 13.271 11.006 ( -13.426 -4.509 -10.325) 17.527 11.565 ( -4.530 -3.340 13.421) 14.553 11.716 ( -0.085 -4.255 -9.218) 10.153 12.669 ( 0.025 2.640 9.180) 9.552 12.764 ( 2.237 3.683 -9.230) 10.187 12.900 ( 13.154 -2.917 2.461) 13.696 13.003 ( 8.127 -2.159 -4.369) 9.476 15.378 ( 6.363 -3.240 0.767) 7.181 15.564 ( 8.466 5.118 0.707) 9.918 15.838 ( 5.481 -1.182 -0.923) 5.683 15.944 ( 6.282 2.861 -0.731) 6.941 16.563 ( 8.588 1.704 13.140) 15.790 16.678 ( -3.754 -5.032 -3.463) 7.170 16.829 ( -7.388 -3.632 -2.155) 8.510 16.971 ( -4.495 -4.995 -4.862) 8.293 21.103 ( 6.558 -0.483 2.862) 7.171 21.174 ( 8.554 2.187 -1.567) 8.968 23.205 ( -2.037 -2.564 1.830) 3.751 23.292 ( -2.090 -0.657 -4.750) 5.231 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.376 3.854 -3.975) 7.717 2.227 ( 2.601 3.176 6.304) 7.523 2.327 ( 7.151 2.367 -10.557) 12.969 2.514 ( 2.764 0.563 7.476) 7.990 2.589 ( -2.814 1.604 1.676) 3.647 2.661 ( -5.738 3.142 0.477) 6.559 2.836 ( -8.059 -1.293 -2.601) 8.567 2.874 ( -9.821 1.336 0.416) 9.920 3.021 ( -2.224 -5.341 -2.558) 6.326 3.082 ( -3.233 -6.408 3.104) 7.819 3.345 ( -8.071 0.980 6.747) 10.565 3.532 ( -4.023 0.247 -4.742) 6.223 4.052 ( 1.719 0.903 -2.493) 3.160 4.173 ( 8.287 1.850 -0.000) 8.491 4.246 ( 7.450 -6.808 -0.273) 10.096 4.438 ( 10.289 -1.072 -0.668) 10.366 4.583 ( 7.736 -7.102 -4.118) 11.280 4.707 ( 1.176 2.074 -1.676) 2.914 4.907 ( 6.608 2.839 -5.771) 9.221 4.987 ( 1.029 -4.082 9.889) 10.748 5.166 ( -5.162 7.877 -2.266) 9.687 5.708 ( 0.424 1.925 5.167) 5.530 5.979 ( 1.897 -2.520 -3.710) 4.869 6.141 ( 0.344 2.058 -7.185) 7.482 6.295 ( -7.218 -4.227 -2.253) 8.663 6.416 ( -2.190 2.708 3.711) 5.089 6.576 ( -5.796 -5.517 -0.259) 8.007 6.719 ( -4.058 4.779 8.089) 10.234 7.063 ( 2.101 2.074 -4.032) 4.997 7.262 ( 2.409 4.790 2.353) 5.855 7.564 ( 1.880 11.573 5.600) 12.993 7.738 ( 0.797 5.106 -6.132) 8.019 8.149 ( 2.477 -1.533 -7.851) 8.374 8.247 ( 1.401 2.502 2.266) 3.655 8.555 ( -0.587 0.593 0.389) 0.921 8.779 ( 5.083 12.127 -7.038) 14.914 9.275 ( -1.428 4.245 4.775) 6.546 9.414 ( 6.291 3.457 6.309) 9.556 9.667 ( 9.659 3.678 2.352) 10.600 9.910 ( 14.981 -1.217 6.296) 16.295 10.691 ( -9.223 -6.997 -10.516) 15.640 10.767 ( -12.974 -5.279 4.024) 14.573 11.566 ( -5.847 -4.720 2.037) 7.786 11.666 ( 1.807 -2.746 -3.973) 5.157 12.721 ( 2.144 3.150 -2.452) 4.532 12.754 ( -0.580 3.863 6.097) 7.242 13.051 ( 6.680 -3.577 -3.534) 8.361 13.112 ( 6.546 -1.952 2.612) 7.313 15.506 ( 8.985 -7.276 0.091) 11.562 15.701 ( 6.843 1.512 0.573) 7.031 15.912 ( 5.482 -3.732 -1.527) 6.805 16.030 ( 6.006 1.106 -1.563) 6.304 16.561 ( -5.254 -7.618 -1.801) 9.428 16.652 ( -6.797 -3.293 -3.885) 8.493 16.813 ( 1.562 -0.131 7.714) 7.872 16.870 ( -0.235 -2.329 -4.828) 5.365 21.223 ( 4.460 -1.679 2.549) 5.404 21.283 ( 6.320 1.273 -0.343) 6.456 23.193 ( -1.241 -1.712 1.149) 2.406 23.231 ( -2.293 0.002 0.104) 2.295 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 4.622 2.938 -2.914) 6.204 2.222 ( -5.692 3.773 -1.543) 7.001 2.327 ( 4.733 -0.486 -6.821) 8.316 2.529 ( -2.619 1.678 4.725) 5.657 2.567 ( -5.403 1.378 3.024) 6.343 2.618 ( -0.153 2.585 3.472) 4.331 2.750 ( -0.855 0.073 -2.064) 2.235 2.856 ( 2.253 -0.930 0.124) 2.441 3.009 ( 3.200 -0.770 -1.745) 3.726 3.067 ( -2.880 -4.629 1.943) 5.788 3.280 ( -9.026 0.513 5.677) 10.675 3.488 ( 1.816 -1.171 0.451) 2.207 4.019 ( 0.466 -0.949 -5.873) 5.967 4.187 ( 2.866 2.979 -8.021) 9.023 4.374 ( 3.040 -1.363 2.182) 3.983 4.567 ( 5.987 -8.504 -3.173) 10.873 4.636 ( 0.071 -4.752 -1.884) 5.112 4.681 ( 0.905 1.039 -1.450) 2.000 4.865 ( 6.085 -4.503 -12.509) 14.621 5.082 ( -1.662 -4.201 1.990) 4.937 5.097 ( -2.151 9.458 2.274) 9.963 5.719 ( -0.565 3.863 -0.615) 3.952 5.950 ( -3.983 -5.841 0.356) 7.079 6.109 ( 4.248 -0.541 -4.563) 6.258 6.207 ( 0.496 -1.789 -2.283) 2.943 6.380 ( -6.752 -0.536 -5.084) 8.469 6.574 ( 3.076 -0.589 12.080) 12.480 6.764 ( -5.112 2.719 9.138) 10.818 7.046 ( 3.215 3.438 -4.551) 6.547 7.267 ( -1.679 4.814 -2.527) 5.691 7.609 ( -2.940 8.084 6.426) 10.738 7.754 ( 4.096 4.441 1.403) 6.202 8.107 ( 2.637 -2.443 -6.994) 7.863 8.300 ( 2.118 4.492 1.093) 5.085 8.569 ( 0.200 2.637 3.015) 4.010 8.792 ( 5.340 12.866 -4.764) 14.722 9.294 ( -3.885 4.837 5.443) 8.253 9.539 ( -1.883 8.150 3.546) 9.085 9.779 ( 4.669 1.768 -2.864) 5.756 10.091 ( 2.421 -3.286 -1.050) 4.215 10.586 ( 4.528 -7.061 1.435) 8.510 10.630 ( -7.943 -5.861 4.073) 10.678 11.449 ( -7.248 -4.019 -4.160) 9.273 11.661 ( 4.939 -2.360 -5.979) 8.107 12.740 ( -2.123 1.564 3.714) 4.555 12.823 ( 1.743 4.740 6.043) 7.875 13.097 ( 3.857 -3.532 -2.624) 5.851 13.198 ( 0.941 -1.530 1.724) 2.489 15.648 ( 7.926 -8.342 -0.002) 11.507 15.745 ( -1.554 -3.115 -0.340) 3.497 15.973 ( 3.933 -2.734 -2.029) 5.202 16.099 ( 3.721 -3.790 0.003) 5.311 16.464 ( -3.568 -9.066 -4.503) 10.733 16.517 ( -3.135 -4.975 -1.690) 6.118 16.836 ( 4.423 0.354 -4.625) 6.409 16.861 ( -4.112 2.320 1.247) 4.883 21.285 ( -0.283 -2.301 2.272) 3.246 21.360 ( 3.322 -0.224 0.427) 3.357 23.206 ( -1.287 -0.450 3.657) 3.903 23.217 ( 0.055 0.029 1.869) 1.870 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -9.657 1.952 -6.846) 11.998 2.225 ( 0.210 0.832 -2.714) 2.846 2.365 ( 5.400 -0.566 -2.781) 6.101 2.438 ( -3.205 0.463 -3.708) 4.923 2.577 ( -1.628 4.812 6.939) 8.600 2.747 ( 5.652 1.636 -3.268) 6.731 2.780 ( 3.528 0.243 8.892) 9.569 2.853 ( 4.854 0.637 0.159) 4.898 3.031 ( -2.246 -1.406 -0.665) 2.732 3.097 ( 7.994 -2.699 -1.351) 8.545 3.197 ( -7.343 0.681 5.048) 8.937 3.574 ( 6.512 -1.415 -0.199) 6.667 3.930 ( -1.449 -4.423 -8.281) 9.500 4.125 ( 1.574 1.805 -11.740) 11.982 4.308 ( -10.830 -2.619 -0.761) 11.168 4.533 ( -3.404 -3.208 -2.837) 5.470 4.608 ( -3.059 -4.758 -3.861) 6.848 4.635 ( -3.205 0.582 -3.817) 5.018 4.796 ( -7.282 -3.750 -1.832) 8.393 5.007 ( 4.228 0.992 -4.602) 6.328 5.232 ( 5.661 6.476 9.051) 12.486 5.677 ( -5.318 4.874 -1.691) 7.409 5.927 ( 3.252 -4.415 -0.781) 5.539 6.156 ( 3.807 -7.222 -0.404) 8.174 6.236 ( 5.943 1.117 -5.263) 8.016 6.262 ( 3.420 -0.186 -3.041) 4.581 6.671 ( -10.269 -3.532 8.221) 13.620 6.806 ( 4.101 -5.168 3.662) 7.546 7.114 ( 2.343 7.404 5.206) 9.350 7.187 ( -1.975 10.000 -1.290) 10.275 7.620 ( -4.514 9.265 3.789) 10.981 7.845 ( 4.309 5.661 1.604) 7.293 8.070 ( 0.704 -5.643 -4.848) 7.473 8.306 ( -0.013 -0.833 -4.161) 4.243 8.612 ( -0.291 7.122 3.679) 8.022 8.857 ( 7.421 8.844 -1.478) 11.639 9.273 ( -5.616 5.538 4.959) 9.317 9.441 ( -8.985 8.067 0.837) 12.104 9.742 ( -4.474 1.907 -3.528) 6.008 10.042 ( -5.621 -0.697 0.117) 5.665 10.621 ( 0.048 -6.156 3.761) 7.214 10.763 ( 9.235 -5.626 4.286) 11.632 11.285 ( -3.353 -3.378 -7.737) 9.083 11.696 ( 7.896 -2.937 -5.711) 10.178 12.717 ( -6.581 1.501 4.773) 8.267 12.937 ( 2.125 3.953 7.955) 9.134 13.106 ( -0.370 -4.088 -2.227) 4.669 13.190 ( -2.633 -0.153 0.917) 2.792 15.622 ( -8.687 -8.344 -1.053) 12.091 15.760 ( 1.185 -3.325 0.028) 3.529 15.968 ( -1.389 0.227 -2.398) 2.781 16.118 ( -2.602 -6.316 1.635) 7.024 16.385 ( 2.641 -11.507 -6.674) 13.562 16.523 ( 4.638 -5.846 -3.694) 8.326 16.748 ( -7.121 3.445 -1.247) 8.009 16.894 ( 7.325 2.114 -2.340) 7.975 21.264 ( -4.815 -1.359 1.729) 5.294 21.392 ( -0.849 -1.214 1.453) 2.075 23.207 ( -2.449 -0.271 3.334) 4.146 23.293 ( 3.805 -0.009 4.325) 5.761 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -17.437 3.884 -14.770) 23.180 2.042 ( -13.872 2.065 -8.764) 16.538 2.434 ( 2.987 0.781 8.649) 9.183 2.476 ( 9.017 -0.145 -4.153) 9.928 2.683 ( 5.594 1.304 5.869) 8.212 2.795 ( 8.133 0.487 -3.890) 9.029 2.878 ( 3.821 -0.661 5.273) 6.545 2.977 ( -1.640 0.582 -3.071) 3.530 3.100 ( 5.362 0.868 5.463) 7.704 3.199 ( 9.790 0.439 1.585) 9.927 3.210 ( 1.552 -0.810 5.494) 5.766 3.594 ( 5.571 0.899 -15.661) 16.647 3.792 ( -10.973 -1.096 -6.399) 12.750 3.959 ( -4.321 -2.987 -4.072) 6.647 4.119 ( -6.763 -8.660 -7.676) 13.403 4.280 ( -18.748 -7.629 -3.151) 20.484 4.491 ( -6.477 4.458 -0.520) 7.880 4.604 ( 2.536 3.175 3.366) 5.277 4.754 ( 2.877 5.564 -4.469) 7.695 5.023 ( -3.251 -0.668 2.691) 4.273 5.455 ( 7.763 3.354 11.528) 14.297 5.506 ( -9.913 3.561 -5.556) 11.909 5.960 ( 1.119 3.036 -2.131) 3.875 6.199 ( 4.313 -10.176 -2.456) 11.322 6.308 ( 10.933 -1.522 -3.646) 11.624 6.444 ( 14.947 1.201 2.150) 15.148 6.550 ( -11.150 -6.866 3.506) 13.556 6.838 ( -0.755 -4.239 -4.666) 6.349 7.081 ( -4.106 7.268 2.758) 8.791 7.311 ( 1.395 8.165 11.685) 14.323 7.492 ( -11.987 14.753 -4.553) 19.547 7.900 ( 2.163 4.026 -1.575) 4.834 8.026 ( -1.292 -7.851 -2.843) 8.449 8.220 ( -1.255 -6.238 -6.879) 9.370 8.620 ( -2.978 13.193 2.738) 13.799 8.979 ( 9.343 4.291 -1.282) 10.361 9.215 ( -9.400 8.969 4.704) 13.818 9.345 ( -7.802 3.293 1.393) 8.583 9.636 ( -5.594 0.874 3.280) 6.543 10.002 ( -1.814 0.895 9.961) 10.164 10.639 ( -0.929 -6.360 -1.459) 6.591 10.869 ( 6.154 -0.499 -9.549) 11.371 11.251 ( 5.589 -4.772 0.755) 7.388 11.783 ( 9.640 -3.655 -4.000) 11.059 12.645 ( -9.004 1.215 4.668) 10.215 13.007 ( -8.179 -3.597 -2.245) 9.212 13.043 ( -0.137 3.016 7.295) 7.896 13.168 ( -1.876 -0.467 0.883) 2.125 15.454 ( -9.681 -7.090 -1.780) 12.131 15.702 ( -7.445 -0.106 0.408) 7.457 15.875 ( -6.481 2.118 -3.245) 7.551 16.063 ( -6.229 -3.145 0.070) 6.978 16.342 ( -4.502 -6.609 -9.652) 12.534 16.489 ( 5.621 -7.099 -3.507) 9.711 16.766 ( 7.439 -2.679 1.476) 8.043 17.001 ( 7.450 1.965 -0.058) 7.705 21.185 ( -7.423 1.180 2.009) 7.780 21.362 ( -5.287 -0.955 1.882) 5.693 23.205 ( -1.466 -0.726 2.003) 2.586 23.412 ( 4.336 -0.507 4.803) 6.491 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -19.577 9.763 -14.120) 26.037 1.665 ( -20.814 5.675 -8.457) 23.172 2.552 ( 4.342 3.550 -3.319) 6.517 2.658 ( 6.707 -1.049 12.633) 14.341 2.819 ( 2.801 -0.871 4.363) 5.257 2.875 ( -8.312 1.511 -2.529) 8.819 2.925 ( -0.946 2.562 -1.601) 3.166 2.969 ( 9.495 1.964 -3.752) 10.397 3.133 ( -8.666 -1.682 10.196) 13.487 3.166 ( 0.520 5.106 3.994) 6.503 3.398 ( 5.856 -1.163 -5.930) 8.415 3.474 ( 4.552 1.697 -21.262) 21.810 3.571 ( 2.135 0.094 -2.677) 3.426 3.847 ( -10.786 -12.246 -6.590) 17.599 3.994 ( 2.645 -7.107 2.124) 7.875 4.142 ( 1.804 -2.148 -0.139) 2.809 4.432 ( -3.394 6.865 5.272) 9.297 4.708 ( 2.795 6.440 -3.518) 7.853 4.755 ( 4.714 2.494 3.493) 6.375 4.961 ( -8.913 0.950 4.746) 10.142 5.271 ( -9.826 4.496 -6.146) 12.432 5.714 ( 6.682 -2.168 10.534) 12.661 5.932 ( -1.217 7.399 0.285) 7.503 6.225 ( 3.317 -6.386 -5.862) 9.281 6.366 ( -3.768 -3.345 -2.728) 5.729 6.474 ( -0.011 -4.557 2.814) 5.356 6.632 ( 3.889 -3.396 -3.350) 6.155 6.800 ( 4.787 0.799 -1.753) 5.160 7.027 ( -4.619 1.390 -1.593) 5.080 7.218 ( -10.590 15.321 -5.642) 19.461 7.409 ( -4.347 7.205 9.503) 12.693 7.885 ( -1.336 1.881 -2.447) 3.363 7.921 ( -5.783 -3.769 -5.046) 8.551 8.176 ( 1.566 -4.032 -2.092) 4.804 8.591 ( -4.064 16.022 2.275) 16.685 9.044 ( -4.957 2.369 -5.689) 7.908 9.115 ( -2.748 1.516 2.521) 4.025 9.211 ( -6.956 8.044 3.810) 11.296 9.675 ( -0.464 -0.964 13.205) 13.249 10.264 ( 13.192 -2.159 15.681) 20.605 10.549 ( -4.502 -6.494 -5.763) 9.780 10.797 ( 5.695 2.378 -17.443) 18.502 11.417 ( 9.612 -2.676 4.143) 10.804 11.898 ( 9.212 -4.186 -2.664) 10.463 12.543 ( -10.544 -0.475 4.855) 11.618 12.817 ( -12.430 -4.815 -2.023) 13.482 13.083 ( -4.123 1.433 4.128) 6.008 13.139 ( -2.360 -0.515 1.083) 2.648 15.299 ( -7.141 -2.420 -1.724) 7.734 15.584 ( -7.574 3.153 1.144) 8.284 15.704 ( -9.961 1.647 -3.550) 10.702 15.928 ( -7.899 -1.406 -3.248) 8.656 16.099 ( -10.822 1.911 -6.886) 12.968 16.634 ( 12.308 -11.452 -1.047) 16.844 16.909 ( 7.830 -1.706 0.976) 8.073 17.112 ( 5.796 0.287 0.631) 5.837 21.087 ( -8.060 4.447 2.746) 9.606 21.272 ( -8.262 0.190 1.646) 8.427 23.205 ( -0.434 -1.348 0.663) 1.564 23.521 ( 3.522 -1.121 3.247) 4.920 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -15.625 19.974 3.945) 25.665 1.238 ( -24.134 13.306 -2.539) 27.675 2.189 ( -43.066 26.382 -1.118) 50.517 2.690 ( -0.942 -1.770 -2.980) 3.592 2.741 ( -2.190 2.012 2.212) 3.706 2.919 ( 4.476 -0.923 0.843) 4.647 3.072 ( 5.825 -5.188 15.382) 17.247 3.146 ( 9.670 -3.077 -7.059) 12.362 3.198 ( 2.933 -1.405 1.276) 3.494 3.265 ( 6.525 2.846 8.591) 11.157 3.316 ( 0.347 1.550 -11.012) 11.126 3.389 ( 6.148 2.520 -8.326) 10.652 3.592 ( 2.153 -6.332 -1.742) 6.911 3.688 ( -1.268 -3.120 -3.669) 4.980 4.046 ( 2.244 -7.925 -1.262) 8.333 4.227 ( 6.422 -2.894 -0.952) 7.108 4.493 ( -0.402 6.468 7.251) 9.725 4.626 ( -1.988 8.106 -5.638) 10.072 4.871 ( -8.208 5.650 3.668) 10.619 4.967 ( 14.548 -1.670 2.655) 14.882 5.106 ( -5.948 5.213 -0.845) 7.954 5.732 ( -7.473 4.625 -1.185) 8.868 6.062 ( 5.187 0.470 9.658) 10.973 6.164 ( -2.839 -2.936 -2.014) 4.553 6.233 ( -9.953 -2.703 0.338) 10.319 6.472 ( -1.668 -5.751 -2.016) 6.318 6.618 ( -7.063 -2.071 -2.722) 7.847 6.694 ( 1.436 2.868 -4.819) 5.789 7.034 ( -6.740 7.498 -4.106) 10.886 7.120 ( 9.349 1.925 0.992) 9.596 7.377 ( -9.063 9.626 4.314) 13.907 7.685 ( -14.006 3.241 -4.703) 15.126 7.917 ( 6.274 0.071 -1.511) 6.454 8.189 ( 1.645 -3.344 -0.825) 3.817 8.562 ( -0.064 19.269 1.169) 19.305 8.874 ( -9.215 2.483 2.106) 9.773 9.065 ( -0.582 8.150 -5.965) 10.117 9.244 ( 1.398 1.091 5.042) 5.345 9.915 ( 5.752 -4.323 20.971) 22.171 10.315 ( -4.980 -8.496 -15.233) 18.140 10.638 ( 1.376 -3.148 1.520) 3.757 10.771 ( 17.497 3.408 -1.112) 17.861 11.609 ( 10.452 0.649 1.054) 10.525 12.004 ( 6.888 -4.256 -1.095) 8.171 12.423 ( -12.030 -5.449 5.236) 14.206 12.567 ( -16.940 -9.806 -2.667) 19.755 12.992 ( -8.681 0.409 -0.205) 8.693 13.129 ( -1.181 -0.397 0.532) 1.354 15.197 ( -3.993 3.687 -0.713) 5.481 15.512 ( -8.963 3.925 1.359) 9.879 15.527 ( -2.829 5.507 1.784) 6.443 15.763 ( -6.004 1.292 -6.509) 8.949 15.891 ( -8.173 1.848 -3.019) 8.906 16.811 ( 10.386 -7.728 -0.065) 12.946 17.015 ( 4.167 0.136 0.560) 4.206 17.191 ( 4.007 -1.537 -0.214) 4.297 20.994 ( -7.591 6.366 2.121) 10.131 21.152 ( -8.483 1.449 1.181) 8.687 23.207 ( 0.272 -1.783 -0.112) 1.807 23.587 ( 2.186 -1.565 0.456) 2.727 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -8.874 25.897 21.449) 34.777 0.933 ( -17.796 24.313 11.531) 32.261 1.581 ( -36.840 39.134 19.382) 57.134 2.600 ( -3.206 3.828 -4.184) 6.514 2.774 ( 1.095 -1.946 1.680) 2.795 2.952 ( 1.306 0.106 -4.543) 4.728 3.034 ( -3.367 -2.091 -10.719) 11.428 3.187 ( -1.958 3.494 0.914) 4.109 3.267 ( 0.850 -5.062 6.732) 8.466 3.323 ( 9.065 -1.299 -9.344) 13.083 3.496 ( 8.792 -0.133 5.645) 10.449 3.541 ( 7.408 -4.369 17.276) 19.299 3.608 ( 2.916 -8.043 1.364) 8.664 3.721 ( 4.524 3.094 2.012) 5.838 4.074 ( 3.968 -7.130 -0.425) 8.170 4.265 ( 2.356 -0.015 -4.446) 5.032 4.520 ( 0.422 2.448 -4.377) 5.033 4.561 ( -2.971 3.778 0.496) 4.831 4.788 ( -4.589 10.128 0.191) 11.121 5.010 ( -5.874 1.696 0.004) 6.114 5.235 ( 14.682 0.093 0.470) 14.690 5.588 ( -4.376 8.312 -5.718) 10.997 6.005 ( -11.021 1.354 -0.310) 11.108 6.137 ( -4.739 -2.040 -0.521) 5.186 6.219 ( -5.638 -1.011 15.344) 16.378 6.380 ( -11.749 3.764 -0.873) 12.368 6.498 ( 4.339 -9.912 -0.264) 10.824 6.816 ( 10.406 2.491 2.412) 10.969 6.894 ( -3.580 6.205 0.125) 7.165 7.214 ( -4.186 11.804 0.401) 12.531 7.290 ( -2.643 3.045 2.427) 4.706 7.406 ( -11.192 2.669 -3.946) 12.164 8.024 ( 7.202 0.286 -1.719) 7.410 8.191 ( 0.618 -4.715 -2.453) 5.351 8.670 ( 10.613 16.864 -3.263) 20.191 8.841 ( 3.420 14.537 -0.566) 14.944 8.983 ( -0.832 4.979 -3.404) 6.088 9.343 ( 6.013 -1.750 2.108) 6.608 10.016 ( -7.710 -7.283 -18.742) 21.535 10.278 ( 8.611 -4.121 21.959) 23.944 10.571 ( 2.766 -1.802 -12.322) 12.757 11.088 ( 8.847 0.226 11.136) 14.224 11.723 ( 4.154 -1.936 -5.056) 6.824 12.098 ( -1.110 -8.139 2.759) 8.665 12.139 ( -26.113 -11.822 6.051) 29.296 12.333 ( -6.810 -1.671 -1.360) 7.143 12.842 ( -6.573 0.945 -3.850) 7.675 13.101 ( -1.190 -1.032 -2.129) 2.648 15.160 ( -1.389 8.030 1.571) 8.300 15.423 ( -5.990 1.125 7.671) 9.798 15.597 ( -4.886 5.522 -7.259) 10.347 15.651 ( 10.938 11.197 5.094) 16.461 15.787 ( -1.888 0.840 -0.721) 2.189 16.944 ( 6.063 -2.776 -0.601) 6.695 17.050 ( 0.638 -0.720 -0.224) 0.988 17.234 ( 2.595 -1.909 -1.562) 3.580 20.869 ( -8.486 3.943 -2.155) 9.602 21.050 ( -5.679 2.498 0.863) 6.263 23.211 ( 0.459 -1.999 -0.251) 2.067 23.599 ( 0.958 -1.821 -2.665) 3.367 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -2.669 23.119 14.047) 27.183 1.433 ( -5.752 26.350 7.947) 28.117 2.477 ( 1.740 33.985 28.024) 44.083 2.610 ( 3.916 1.951 -3.735) 5.753 2.678 ( -3.901 -3.727 -10.734) 12.014 2.782 ( -0.621 -5.348 -0.804) 5.444 2.901 ( -0.238 0.123 -5.375) 5.381 3.160 ( -2.165 3.064 -6.761) 7.732 3.245 ( 2.373 -7.865 1.778) 8.406 3.274 ( 1.038 -2.310 -2.924) 3.868 3.369 ( -1.029 -9.948 -2.157) 10.231 3.669 ( 0.968 -5.132 -3.656) 6.375 3.765 ( 2.478 -9.207 6.126) 11.333 3.883 ( 1.603 4.014 17.547) 18.071 4.073 ( 0.010 3.025 2.390) 3.855 4.225 ( 2.270 1.859 8.111) 8.625 4.545 ( -3.291 7.326 2.535) 8.422 4.644 ( 1.895 6.221 0.096) 6.504 4.919 ( -3.353 8.741 -2.283) 9.636 5.065 ( -1.601 7.396 -1.192) 7.660 5.331 ( -0.792 1.711 -1.289) 2.284 5.593 ( 2.221 2.236 -3.980) 5.077 5.972 ( 1.223 0.082 -4.146) 4.323 6.096 ( -3.201 6.686 1.882) 7.648 6.283 ( 0.580 -1.521 8.815) 8.964 6.357 ( -0.626 5.453 -1.753) 5.762 6.576 ( 3.669 5.197 3.708) 7.363 6.936 ( -7.581 0.383 -1.044) 7.662 7.146 ( 0.227 7.093 -3.157) 7.767 7.228 ( 13.759 3.987 1.719) 14.428 7.364 ( 0.696 1.107 0.036) 1.308 7.625 ( -5.476 24.093 6.015) 25.430 8.021 ( 0.630 -4.331 0.243) 4.383 8.080 ( 2.329 -5.563 -0.119) 6.032 8.735 ( -3.168 0.729 -2.071) 3.855 8.983 ( -2.392 5.347 -5.283) 7.889 9.163 ( 3.603 9.135 -5.742) 11.376 9.425 ( 4.730 4.081 -2.654) 6.788 9.531 ( -7.797 -9.198 -14.530) 18.882 10.354 ( -5.436 -6.807 -5.764) 10.446 10.520 ( 4.087 -3.405 14.124) 15.093 11.280 ( -1.018 1.959 4.350) 4.879 11.761 ( 10.903 4.350 -3.772) 12.330 11.813 ( -5.353 -6.137 6.118) 10.186 12.130 ( -9.609 -5.113 -1.368) 10.970 12.237 ( 3.095 1.088 8.813) 9.403 12.777 ( 2.508 1.336 -4.731) 5.519 13.023 ( -0.283 -1.842 -3.561) 4.020 15.404 ( 2.539 9.244 3.939) 10.364 15.525 ( 0.453 1.192 11.148) 11.220 15.652 ( -5.782 13.071 1.845) 14.412 15.790 ( 3.536 3.468 1.739) 5.249 15.974 ( 1.734 7.968 -1.792) 8.349 16.947 ( 1.807 -1.699 -4.919) 5.509 17.008 ( -0.861 -3.817 0.817) 3.998 17.185 ( -0.140 -3.804 -2.285) 4.439 20.843 ( -0.861 7.129 -2.928) 7.754 21.054 ( -1.281 4.288 -1.403) 4.690 23.161 ( -0.007 -3.145 -0.269) 3.156 23.501 ( 0.044 -4.612 -5.417) 7.114 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 6.710 15.440 14.576) 22.268 1.583 ( 1.318 16.829 16.563) 23.649 2.442 ( -2.757 -1.277 -15.306) 15.605 2.616 ( 4.068 -3.710 -4.272) 6.969 2.750 ( -2.426 -3.406 -0.443) 4.205 2.795 ( 0.622 2.854 1.164) 3.145 3.003 ( 4.207 18.405 10.845) 21.773 3.052 ( 1.130 9.526 5.155) 10.890 3.177 ( -2.420 -2.054 -8.454) 9.030 3.289 ( -2.876 -9.709 5.487) 11.517 3.383 ( 3.185 -10.342 1.081) 10.875 3.606 ( -0.912 -4.695 -4.503) 6.569 3.761 ( -0.756 -10.805 -2.529) 11.122 4.077 ( -1.437 4.456 11.583) 12.494 4.174 ( -2.678 5.329 14.906) 16.055 4.269 ( -9.611 4.529 10.115) 14.669 4.501 ( -7.244 11.150 -1.206) 13.351 4.750 ( 10.307 5.201 4.110) 12.255 4.816 ( -1.431 8.610 -6.184) 10.697 4.972 ( -7.524 0.345 -3.888) 8.476 5.301 ( -0.341 5.229 4.554) 6.943 5.611 ( 3.083 0.186 -6.153) 6.885 5.914 ( 1.230 4.468 -2.639) 5.333 6.181 ( 2.376 6.016 4.598) 7.936 6.293 ( 4.868 3.042 -4.102) 7.055 6.442 ( 0.098 -0.185 7.951) 7.954 6.663 ( 1.762 -5.433 0.013) 5.712 6.861 ( 3.588 4.994 1.616) 6.358 7.087 ( -4.840 -1.176 -4.096) 6.449 7.313 ( 2.023 11.771 -0.152) 11.945 7.511 ( 6.700 4.927 -0.131) 8.318 7.661 ( 8.308 15.460 2.297) 17.701 8.050 ( -1.610 -3.461 5.985) 7.099 8.136 ( 2.364 -3.389 3.076) 5.151 8.621 ( -2.671 3.125 -7.750) 8.772 8.879 ( -0.809 15.886 -5.988) 16.996 9.158 ( 4.823 3.060 -11.341) 12.698 9.292 ( -3.339 -5.011 -4.000) 7.229 9.494 ( 1.269 7.242 5.748) 9.332 10.178 ( -5.211 -3.145 -13.978) 15.246 10.657 ( -4.858 -6.172 13.607) 15.712 11.294 ( -3.709 -2.250 9.277) 10.241 11.604 ( -11.179 -2.279 -9.854) 15.075 11.888 ( -8.619 -5.482 0.989) 10.262 12.177 ( 18.873 -3.862 3.188) 19.526 12.409 ( 6.601 0.590 7.787) 10.225 12.813 ( 7.259 1.366 -4.392) 8.594 12.979 ( 1.148 0.009 -5.858) 5.970 15.461 ( -3.546 12.512 2.199) 13.189 15.569 ( 1.738 7.852 -0.051) 8.042 15.713 ( -0.024 2.462 14.779) 14.983 15.857 ( -1.639 2.383 0.668) 2.968 16.009 ( 8.456 8.999 4.097) 13.011 16.862 ( -4.321 -2.285 -5.162) 7.109 16.982 ( -3.622 -4.370 -0.347) 5.686 17.116 ( -4.102 -4.941 -3.785) 7.454 20.876 ( 6.451 5.035 -0.856) 8.228 21.052 ( 4.068 4.025 -2.779) 6.362 23.157 ( -0.443 -3.543 0.155) 3.574 23.429 ( -0.376 -4.284 -6.893) 8.125 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 4.988 9.840 15.243) 18.816 1.910 ( 13.031 5.613 17.399) 22.451 2.272 ( 0.765 0.456 -11.071) 11.107 2.613 ( 0.635 -3.324 -4.350) 5.512 2.702 ( -0.926 -2.630 -4.186) 5.030 2.771 ( -2.781 -1.612 -1.257) 3.452 2.902 ( -0.587 -0.328 -7.889) 7.918 3.007 ( -4.025 0.075 -7.309) 8.345 3.216 ( -7.460 -1.908 6.112) 9.832 3.320 ( -3.943 -6.266 0.112) 7.405 3.500 ( 3.072 -2.327 5.769) 6.938 3.629 ( 5.222 -8.067 2.863) 10.027 3.809 ( 4.930 4.897 9.880) 12.079 4.038 ( -8.188 5.030 -0.067) 9.610 4.091 ( -15.924 5.311 2.377) 16.954 4.370 ( 1.040 8.590 0.078) 8.653 4.375 ( -3.600 5.185 14.909) 16.190 4.747 ( -1.373 5.745 -3.992) 7.130 4.789 ( -0.996 4.208 -2.704) 5.100 5.007 ( 6.588 6.233 4.040) 9.929 5.414 ( 3.257 1.401 6.197) 7.140 5.518 ( -1.828 1.322 -6.079) 6.484 5.992 ( 4.901 6.603 2.151) 8.500 6.203 ( 1.612 -0.002 0.725) 1.767 6.354 ( -0.326 -2.040 1.154) 2.366 6.488 ( -0.358 -0.791 3.218) 3.334 6.645 ( -0.562 -6.129 -4.557) 7.658 6.822 ( -10.966 -7.558 -5.763) 14.511 7.096 ( 9.068 11.463 2.117) 14.769 7.361 ( 1.471 10.925 1.726) 11.158 7.566 ( 6.287 13.302 -0.292) 14.716 7.870 ( 13.892 9.623 -1.784) 16.993 8.090 ( -4.325 -4.992 7.760) 10.190 8.190 ( 0.046 -4.817 2.955) 5.652 8.564 ( 5.193 10.143 -5.645) 12.717 8.811 ( 5.787 8.779 -11.193) 15.357 9.156 ( 6.516 2.447 -0.131) 6.962 9.306 ( 2.711 2.557 2.062) 4.259 9.603 ( 2.191 10.260 7.914) 13.142 9.861 ( -9.540 3.069 -18.677) 21.196 10.711 ( -6.057 -9.457 12.285) 16.645 11.271 ( -14.511 -3.619 -11.896) 19.110 11.381 ( -2.644 -4.457 13.820) 14.760 11.731 ( -6.155 -8.773 -5.949) 12.257 12.521 ( 16.453 -2.789 4.591) 17.308 12.596 ( 6.932 0.497 6.771) 9.703 12.879 ( 6.650 1.109 -4.877) 8.321 12.931 ( 2.892 1.361 -7.757) 8.390 15.386 ( -5.103 6.522 0.619) 8.304 15.613 ( 0.266 8.231 0.982) 8.294 15.796 ( 2.502 2.662 0.663) 3.713 15.905 ( 3.166 2.299 5.319) 6.604 16.287 ( 12.186 5.342 12.890) 18.526 16.706 ( -10.280 -6.133 -1.694) 12.090 16.887 ( -6.597 -5.551 -2.497) 8.977 16.992 ( -3.521 -5.350 -6.556) 9.165 20.986 ( 7.072 2.349 0.435) 7.464 21.118 ( 7.224 3.440 -1.982) 8.244 23.152 ( -0.794 -3.531 0.711) 3.688 23.343 ( -0.831 -3.366 -6.614) 7.468 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 6.755 3.919 11.814) 14.162 2.212 ( 4.614 5.397 -1.621) 7.283 2.304 ( 10.547 0.218 10.736) 15.051 2.534 ( -1.212 5.634 -10.293) 11.797 2.599 ( -3.837 -3.463 0.509) 5.194 2.749 ( -1.155 -4.385 0.757) 4.597 2.850 ( 1.720 -0.011 -5.203) 5.480 2.880 ( -2.604 -8.929 -6.087) 11.116 3.109 ( -12.659 -1.302 4.745) 13.582 3.187 ( -8.855 -2.602 -6.133) 11.081 3.447 ( -10.462 0.073 3.134) 10.922 3.681 ( -3.651 -5.364 -2.786) 7.061 3.889 ( 1.501 -3.641 2.562) 4.698 3.961 ( 3.393 -6.746 -2.755) 8.039 4.105 ( 3.378 10.913 10.713) 15.662 4.379 ( 4.390 6.464 -1.732) 8.004 4.530 ( 0.365 3.321 5.709) 6.615 4.740 ( -0.492 4.096 8.858) 9.772 4.791 ( 3.469 1.387 -2.195) 4.333 5.057 ( 1.213 8.246 -4.080) 9.279 5.387 ( -3.397 5.012 -1.980) 6.370 5.591 ( 4.426 -0.864 5.822) 7.365 5.998 ( -2.875 -2.722 -2.947) 4.935 6.272 ( 0.090 -0.286 0.583) 0.655 6.340 ( -4.449 3.483 2.755) 6.286 6.440 ( -1.405 -4.708 -6.226) 7.931 6.575 ( -5.379 -5.036 0.548) 7.389 6.648 ( -0.324 -4.037 0.495) 4.080 7.196 ( 1.228 9.585 -0.125) 9.664 7.381 ( -0.863 10.401 1.609) 10.560 7.715 ( 9.165 14.302 0.910) 17.011 7.948 ( -2.255 5.115 -5.315) 7.714 8.149 ( 7.221 2.603 2.864) 8.193 8.208 ( 1.977 -4.525 -0.498) 4.963 8.601 ( 4.632 10.358 -4.967) 12.386 8.864 ( 9.414 3.947 -2.558) 10.523 9.293 ( 3.342 2.642 4.499) 6.197 9.426 ( 8.349 4.114 5.282) 10.702 9.541 ( 0.483 11.552 -10.456) 15.589 9.782 ( 5.717 7.008 5.595) 10.635 10.712 ( -8.266 -9.942 6.322) 14.392 10.906 ( -15.810 -5.096 -9.556) 19.164 11.478 ( -4.664 -5.915 11.575) 13.811 11.594 ( -0.425 -8.684 -7.415) 11.427 12.716 ( 3.036 1.581 6.218) 7.098 12.814 ( 9.430 -1.264 1.025) 9.569 12.869 ( 5.107 2.475 -5.162) 7.672 12.958 ( 6.922 -1.875 -4.203) 8.312 15.343 ( -0.651 -0.295 0.137) 0.728 15.623 ( 1.079 0.801 0.893) 1.613 15.846 ( 2.726 1.812 -1.547) 3.621 15.998 ( 3.668 2.570 1.188) 4.633 16.523 ( -10.229 -9.360 -0.623) 13.879 16.614 ( 9.002 2.708 13.347) 16.325 16.725 ( -10.140 -8.158 -1.811) 13.140 16.885 ( 0.943 -2.723 -8.674) 9.140 21.097 ( 5.732 -0.036 1.088) 5.834 21.216 ( 6.174 1.790 -0.303) 6.436 23.150 ( -0.661 -2.868 1.142) 3.157 23.266 ( -1.233 -2.127 -4.137) 4.813 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.880 3.253 4.530) 6.794 2.260 ( 4.312 3.655 0.355) 5.664 2.392 ( 1.094 3.035 -11.098) 11.558 2.514 ( 2.388 0.547 6.786) 7.215 2.605 ( -0.341 -0.215 0.185) 0.444 2.703 ( -6.561 -0.554 -0.701) 6.621 2.787 ( -4.076 -3.959 -3.255) 6.548 2.851 ( 0.947 -3.936 4.519) 6.067 2.962 ( -6.808 1.498 2.042) 7.264 3.008 ( -2.747 -0.751 -3.253) 4.323 3.359 ( -8.049 0.408 5.391) 9.696 3.536 ( -6.469 0.129 -3.298) 7.262 3.993 ( 5.238 -11.736 -2.132) 13.028 4.048 ( 10.001 -11.202 -1.526) 15.094 4.229 ( 5.645 5.143 3.838) 8.547 4.454 ( 4.302 1.799 -0.215) 4.668 4.481 ( -3.173 -0.494 -7.603) 8.254 4.761 ( 0.047 0.199 -4.028) 4.033 4.878 ( -2.608 -6.747 10.674) 12.894 5.032 ( 2.873 11.841 -6.760) 13.934 5.316 ( -6.558 7.648 3.760) 10.753 5.713 ( 2.609 -2.012 5.647) 6.537 5.903 ( -2.668 -5.638 -4.270) 7.559 6.129 ( -7.078 -4.568 -4.138) 9.386 6.282 ( -0.574 4.362 -6.291) 7.677 6.436 ( -0.442 -4.053 -0.581) 4.119 6.517 ( 2.061 3.984 -0.274) 4.494 6.780 ( 2.227 0.422 11.592) 11.811 7.142 ( -3.551 6.595 -4.436) 8.705 7.382 ( -1.599 7.884 2.303) 8.368 7.805 ( -1.063 10.252 1.646) 10.437 7.822 ( -3.331 3.600 -2.797) 5.646 8.186 ( 8.189 4.485 -12.554) 15.646 8.335 ( 6.655 6.935 2.383) 9.903 8.591 ( 0.736 4.059 -1.136) 4.278 8.989 ( 4.787 9.027 2.056) 10.423 9.373 ( 0.615 1.853 4.234) 4.662 9.522 ( 9.371 11.583 1.108) 14.940 9.736 ( 13.704 3.061 4.507) 14.748 9.938 ( 6.193 4.297 4.309) 8.682 10.524 ( -9.731 -9.604 -9.874) 16.865 10.649 ( -14.547 -5.652 4.793) 16.326 11.452 ( -3.051 -7.452 -2.068) 8.314 11.578 ( -0.496 -6.370 1.634) 6.595 12.785 ( 0.991 2.863 0.075) 3.031 12.843 ( 2.034 4.988 1.770) 5.670 12.981 ( 6.578 -3.214 -3.648) 8.179 13.056 ( 5.805 -3.619 3.320) 7.604 15.371 ( 4.361 -6.434 -0.492) 7.789 15.680 ( 4.245 -3.829 0.803) 5.772 15.815 ( -3.871 -6.404 -1.555) 7.643 16.038 ( 0.391 -1.314 -0.509) 1.463 16.386 ( -4.933 -8.936 -2.786) 10.580 16.545 ( -7.664 -6.542 -3.076) 10.535 16.821 ( 4.550 0.830 -2.275) 5.154 16.863 ( 2.824 1.289 4.669) 5.606 21.184 ( 3.166 -2.256 1.665) 4.229 21.293 ( 3.519 -0.592 0.314) 3.582 23.160 ( 0.195 -1.620 1.648) 2.320 23.220 ( -1.554 -1.099 -0.118) 1.907 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.034 1.908 -5.765) 6.073 2.304 ( -1.101 3.713 -5.569) 6.784 2.331 ( 1.455 2.762 -1.767) 3.587 2.541 ( -1.605 0.306 -2.060) 2.629 2.609 ( 0.529 1.945 2.896) 3.528 2.660 ( 2.988 0.295 4.252) 5.205 2.724 ( -5.516 -0.728 4.476) 7.141 2.846 ( -4.211 -0.597 4.122) 5.923 2.995 ( 2.409 -1.821 0.700) 3.100 3.005 ( 4.467 0.410 -3.134) 5.472 3.287 ( -7.906 -0.097 4.332) 9.016 3.456 ( -0.505 -1.879 0.338) 1.974 3.977 ( 1.247 -5.223 -8.647) 10.178 4.189 ( 9.191 -10.951 -6.829) 15.844 4.315 ( 2.125 -2.327 -8.822) 9.368 4.366 ( -5.731 -9.208 2.633) 11.161 4.476 ( 4.941 -8.015 1.294) 9.504 4.704 ( -3.614 1.236 -2.484) 4.557 4.903 ( -1.026 -2.007 -0.917) 2.434 5.007 ( 0.834 6.327 -1.745) 6.616 5.269 ( -4.253 9.476 6.660) 12.339 5.777 ( -0.615 -0.604 2.139) 2.306 5.846 ( 0.983 -2.955 -3.325) 4.556 6.017 ( -3.783 -7.054 -1.849) 8.215 6.244 ( 3.995 5.777 -3.295) 7.758 6.376 ( 1.146 0.511 -9.769) 9.850 6.627 ( 2.251 3.448 10.142) 10.946 6.806 ( -7.681 1.163 -1.930) 8.005 7.110 ( 3.667 3.860 2.757) 5.995 7.376 ( -2.158 6.671 1.860) 7.254 7.751 ( -0.870 6.290 -0.149) 6.351 7.837 ( -0.524 2.934 4.351) 5.274 8.160 ( 6.400 7.306 -12.496) 15.826 8.407 ( 2.051 6.560 -3.941) 7.923 8.647 ( 2.882 5.784 6.595) 9.233 9.030 ( 0.058 10.860 -1.125) 10.918 9.386 ( -2.486 3.209 1.809) 4.444 9.702 ( 2.106 7.967 4.978) 9.627 9.891 ( 4.209 9.614 -1.727) 10.636 10.046 ( 2.784 0.914 1.251) 3.186 10.412 ( 4.684 -10.600 0.853) 11.621 10.488 ( -10.747 -7.691 4.852) 14.078 11.355 ( -4.816 -5.819 -4.760) 8.929 11.582 ( 1.936 -5.989 -2.162) 6.655 12.791 ( -0.991 3.193 1.103) 3.520 12.918 ( 1.714 4.855 5.845) 7.789 13.023 ( 3.868 -3.804 -3.168) 6.282 13.150 ( 0.809 -3.312 3.700) 5.031 15.462 ( 6.996 -10.471 -0.521) 12.604 15.648 ( -6.886 -7.015 -1.222) 9.906 15.837 ( 7.845 -11.298 0.111) 13.755 15.982 ( -7.311 -9.938 0.551) 12.350 16.297 ( -0.103 -5.243 -5.917) 7.907 16.432 ( -1.016 -3.246 -5.702) 6.639 16.860 ( 5.462 2.067 -1.906) 6.143 16.916 ( -3.453 3.033 2.693) 5.327 21.226 ( -0.140 -3.626 1.707) 4.010 21.335 ( 1.366 -2.693 0.400) 3.046 23.196 ( -0.565 -0.651 3.959) 4.051 23.213 ( 0.178 -0.429 2.032) 2.085 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -7.842 2.457 -7.334) 11.014 2.247 ( -1.807 1.078 -4.898) 5.331 2.361 ( 6.354 0.612 -3.278) 7.176 2.444 ( -3.318 1.602 -2.704) 4.570 2.661 ( -2.824 2.943 3.167) 5.164 2.770 ( 3.767 0.444 3.099) 4.898 2.785 ( -0.745 0.475 6.430) 6.491 2.847 ( 7.089 -2.402 2.509) 7.895 3.013 ( 1.164 -1.591 1.682) 2.592 3.051 ( 6.264 0.907 -4.409) 7.713 3.221 ( -4.160 1.225 3.553) 5.606 3.523 ( 5.657 -3.866 1.517) 7.018 3.858 ( -0.179 -4.261 -12.881) 13.569 4.102 ( 1.456 -7.106 -14.747) 16.435 4.158 ( -13.530 -11.616 -3.543) 18.181 4.419 ( 8.184 -11.489 -2.412) 14.310 4.492 ( -14.829 -5.467 -2.093) 15.943 4.626 ( 0.510 6.494 5.695) 8.653 4.891 ( 2.244 0.251 0.269) 2.274 5.028 ( 4.807 8.742 -3.687) 10.636 5.338 ( 0.216 5.812 8.356) 10.181 5.735 ( -7.221 0.263 1.041) 7.300 5.897 ( 8.684 -1.395 0.700) 8.823 5.962 ( 0.809 -6.410 -4.105) 7.654 6.270 ( 3.457 2.731 -11.242) 12.074 6.334 ( 5.836 4.566 1.895) 7.648 6.616 ( -9.192 -3.278 -4.598) 10.788 6.755 ( 0.077 0.407 8.067) 8.077 7.227 ( 1.365 3.623 5.476) 6.707 7.371 ( 0.582 8.772 2.633) 9.177 7.766 ( 1.432 6.130 1.008) 6.375 7.896 ( 2.328 -1.361 2.479) 3.663 8.107 ( 1.117 9.172 -9.722) 13.412 8.293 ( -3.938 0.411 -11.184) 11.864 8.797 ( 2.976 11.348 8.246) 14.340 9.006 ( 1.116 6.198 -1.480) 6.469 9.361 ( -3.278 4.090 3.258) 6.172 9.640 ( -10.756 8.521 2.437) 13.937 9.860 ( -5.310 13.109 -3.782) 14.640 10.051 ( -3.812 2.300 2.251) 4.989 10.470 ( -0.055 -8.843 4.501) 9.923 10.608 ( 11.903 -10.121 6.606) 16.963 11.213 ( -3.414 -3.940 -7.319) 8.986 11.606 ( 5.117 -6.681 -3.237) 9.017 12.766 ( -4.608 3.396 2.128) 6.107 13.008 ( -0.090 0.046 3.243) 3.244 13.033 ( 0.700 -0.352 1.787) 1.952 13.168 ( -2.645 -1.920 3.057) 4.476 15.445 ( -7.301 -9.593 -1.265) 12.122 15.657 ( 7.870 -7.332 -1.030) 10.805 15.860 ( -6.056 -15.091 1.789) 16.359 15.954 ( 4.718 -7.072 -1.201) 8.585 16.242 ( 1.612 -3.639 -7.649) 8.623 16.377 ( 3.649 -6.787 -6.917) 10.355 16.824 ( -8.606 4.581 -0.489) 9.761 16.947 ( 5.771 2.799 1.026) 6.496 21.222 ( -2.578 -3.001 1.818) 4.354 21.346 ( -0.661 -3.704 0.634) 3.815 23.202 ( -2.849 -0.165 3.759) 4.719 23.288 ( 3.187 -0.610 4.480) 5.532 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -13.109 7.086 -11.701) 18.946 2.089 ( -9.873 2.822 -8.464) 13.307 2.422 ( 6.645 -4.171 -3.137) 8.449 2.454 ( 1.251 1.101 7.835) 8.011 2.699 ( 2.459 -0.346 3.512) 4.301 2.762 ( 3.568 -3.837 -0.889) 5.315 2.865 ( 2.460 -0.491 3.618) 4.402 3.006 ( 2.454 0.076 -1.132) 2.704 3.106 ( 9.066 -0.918 -2.099) 9.351 3.158 ( 6.201 0.836 7.576) 9.826 3.281 ( 7.760 3.660 3.238) 9.170 3.597 ( 7.661 -1.361 -10.651) 13.191 3.728 ( -1.825 -6.045 -5.279) 8.231 3.885 ( -13.152 -7.463 -4.381) 15.744 3.970 ( -1.277 -1.257 -16.033) 16.133 4.123 ( -16.703 -8.386 -2.586) 18.868 4.545 ( 1.442 -0.515 5.129) 5.353 4.691 ( -0.227 7.409 6.056) 9.572 4.932 ( 1.290 8.695 -0.049) 8.790 5.033 ( 1.483 4.662 -5.011) 7.003 5.450 ( 0.909 -2.594 7.669) 8.147 5.591 ( -7.554 4.512 -1.714) 8.964 5.944 ( 3.287 -13.647 -2.454) 14.251 6.068 ( 6.012 6.361 -0.907) 8.799 6.267 ( 10.621 -3.722 -4.845) 12.253 6.447 ( -6.293 -2.214 -3.270) 7.430 6.486 ( 6.946 1.561 5.007) 8.704 6.787 ( -1.603 -0.458 0.515) 1.745 7.208 ( -5.132 4.606 -0.305) 6.902 7.482 ( 2.321 8.819 8.714) 12.613 7.751 ( -7.099 9.472 -5.669) 13.125 7.879 ( -1.113 -1.439 -5.190) 5.500 8.025 ( 2.774 2.869 -0.590) 4.034 8.154 ( -0.210 1.788 -8.386) 8.577 8.846 ( -3.078 10.108 3.089) 11.008 9.067 ( 5.625 4.786 -0.568) 7.407 9.332 ( -8.511 4.683 0.959) 9.761 9.489 ( -11.369 6.709 6.009) 14.504 9.739 ( -4.966 13.263 0.727) 14.181 10.028 ( -3.116 1.838 8.587) 9.318 10.485 ( -2.418 -9.406 -0.374) 9.719 10.840 ( 11.579 -2.705 -4.057) 12.563 11.150 ( 3.967 -5.027 -0.059) 6.404 11.673 ( 6.937 -7.907 -1.904) 10.689 12.690 ( -7.707 3.444 1.613) 8.594 12.931 ( -7.896 -3.975 -1.691) 9.001 13.102 ( -1.030 2.695 6.200) 6.838 13.150 ( -3.218 -1.291 2.244) 4.130 15.326 ( -4.399 -5.688 -2.051) 7.477 15.661 ( -4.040 -3.679 -0.083) 5.465 15.916 ( -1.591 -1.154 0.929) 2.174 15.928 ( 2.097 -9.496 -2.635) 10.075 16.170 ( 3.085 -6.097 -9.334) 11.568 16.393 ( 5.403 -8.425 -7.197) 12.327 16.708 ( -3.170 0.787 1.808) 3.733 17.050 ( 4.645 2.139 2.246) 5.586 21.194 ( -3.964 -0.472 2.767) 4.857 21.326 ( -2.999 -2.908 0.858) 4.264 23.194 ( -2.630 -0.247 2.673) 3.758 23.394 ( 3.285 -1.517 4.787) 6.000 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -12.050 15.336 -8.682) 21.349 1.794 ( -14.713 7.898 -6.990) 18.103 2.520 ( 7.418 -5.209 -1.308) 9.158 2.618 ( 4.115 -3.160 12.348) 13.394 2.769 ( 0.221 -4.970 5.336) 7.296 2.883 ( 11.435 -5.582 -2.613) 12.990 2.919 ( -0.077 2.095 3.411) 4.003 3.041 ( 4.738 1.253 -0.491) 4.926 3.185 ( -0.977 1.264 0.272) 1.620 3.275 ( 1.022 6.312 1.773) 6.636 3.364 ( -0.205 -1.221 -5.653) 5.787 3.521 ( -5.364 6.788 -22.724) 24.316 3.611 ( 3.020 3.515 -2.320) 5.183 3.639 ( -6.168 -5.890 -0.230) 8.532 3.869 ( 5.376 -4.934 -0.375) 7.306 4.056 ( 4.785 -6.609 -1.695) 8.333 4.599 ( -2.506 8.499 8.818) 12.501 4.779 ( 2.512 3.710 7.049) 8.352 4.907 ( -2.338 11.294 -7.476) 13.744 4.980 ( -2.759 0.800 1.855) 3.419 5.344 ( -8.820 2.643 -3.520) 9.857 5.674 ( 5.612 -2.296 8.235) 10.227 6.006 ( 5.662 -12.079 -2.184) 13.518 6.074 ( 1.801 3.022 -3.160) 4.729 6.324 ( -5.717 -1.935 1.496) 6.219 6.404 ( 6.808 -0.477 -6.599) 9.493 6.566 ( -2.524 -3.362 -1.525) 4.473 6.822 ( 7.702 0.476 2.140) 8.008 7.094 ( -5.242 5.259 -3.905) 8.390 7.458 ( -11.261 11.268 -7.625) 17.661 7.607 ( -1.274 10.036 8.431) 13.169 7.878 ( 1.524 3.203 -0.635) 3.604 8.040 ( -5.065 8.256 -6.035) 11.412 8.084 ( 3.329 -4.219 -0.678) 5.417 8.819 ( -4.540 7.890 3.237) 9.661 9.086 ( -6.096 3.246 -7.465) 10.170 9.170 ( -0.009 2.485 2.361) 3.428 9.404 ( -9.871 10.023 6.131) 15.346 9.711 ( -4.518 6.862 8.211) 11.615 10.214 ( 10.197 -2.187 6.479) 12.278 10.398 ( -5.771 -9.081 1.949) 10.934 10.852 ( 7.032 3.608 -14.438) 16.460 11.348 ( 12.584 -4.405 6.355) 14.770 11.771 ( 6.611 -9.257 -0.318) 11.380 12.556 ( -11.285 2.184 0.619) 11.511 12.741 ( -13.423 -2.740 -1.680) 13.803 13.098 ( -5.837 -0.422 2.269) 6.277 13.132 ( -2.207 0.038 2.441) 3.291 15.275 ( 0.840 0.253 -2.098) 2.274 15.619 ( -1.285 0.942 0.726) 1.751 15.743 ( -9.806 1.561 -4.993) 11.115 15.892 ( -7.070 -2.042 -1.924) 7.607 16.153 ( -0.699 2.402 -6.334) 6.810 16.426 ( 11.604 -9.471 -2.521) 15.189 16.797 ( 8.773 -7.617 2.044) 11.797 17.131 ( 2.433 0.673 1.912) 3.167 21.159 ( -5.267 2.527 3.688) 6.909 21.271 ( -5.208 -0.484 0.937) 5.313 23.181 ( -1.744 -0.857 1.264) 2.319 23.486 ( 2.566 -2.662 3.189) 4.883 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -5.297 25.215 5.503) 26.346 1.524 ( -13.058 16.260 -0.417) 20.858 2.594 ( 3.403 -3.251 -1.862) 5.061 2.725 ( -11.966 6.085 2.383) 13.634 2.817 ( -14.424 15.851 -0.839) 21.448 2.859 ( 2.764 -7.305 6.399) 10.097 2.980 ( -0.206 0.001 0.460) 0.504 3.013 ( 2.541 -6.566 -4.949) 8.606 3.166 ( 5.663 -2.826 10.196) 12.001 3.281 ( 5.223 -0.699 -6.890) 8.675 3.335 ( 5.758 -1.403 -14.094) 15.290 3.383 ( 2.670 -3.721 3.046) 5.500 3.593 ( 1.527 10.523 -0.160) 10.634 3.738 ( 8.368 4.355 3.769) 10.159 3.900 ( 1.043 -4.698 -5.185) 7.074 4.163 ( 8.558 -5.034 -0.892) 9.968 4.640 ( -6.074 8.581 5.090) 11.680 4.725 ( -5.404 2.790 -5.754) 8.373 4.950 ( 6.008 2.286 5.366) 8.374 5.007 ( 3.049 5.734 5.874) 8.757 5.199 ( -5.051 5.303 -3.360) 8.057 5.787 ( -1.831 -1.053 1.265) 2.462 6.013 ( 0.567 -4.780 1.565) 5.062 6.123 ( 3.058 -2.284 -1.438) 4.079 6.252 ( -2.845 4.406 -2.194) 5.685 6.372 ( -1.342 -1.958 -2.396) 3.372 6.511 ( 1.583 -5.625 -0.294) 5.851 6.871 ( -4.641 11.344 -1.372) 12.333 7.090 ( 5.867 -2.807 1.084) 6.593 7.239 ( -4.930 12.868 -6.622) 15.288 7.647 ( -6.654 12.437 6.673) 15.604 7.804 ( -10.403 7.118 -4.239) 13.299 7.951 ( 2.971 6.413 -1.019) 7.141 8.097 ( 0.364 -5.959 -1.672) 6.200 8.789 ( -3.824 7.658 4.753) 9.791 8.948 ( 0.126 0.832 -4.740) 4.814 9.214 ( 4.017 8.120 -4.248) 10.006 9.329 ( -6.086 6.028 4.256) 9.565 9.836 ( 0.489 -2.816 19.527) 19.735 10.139 ( -2.465 -7.789 -15.072) 17.143 10.538 ( 1.044 -6.721 6.728) 9.567 10.878 ( 14.385 7.581 -4.313) 16.822 11.604 ( 13.748 -1.791 0.039) 13.864 11.864 ( 3.767 -10.525 2.139) 11.381 12.330 ( -18.069 -0.495 0.083) 18.076 12.504 ( -13.698 0.035 -0.607) 13.712 12.996 ( -8.052 -0.101 -0.429) 8.064 13.109 ( -2.403 -1.682 0.224) 2.942 15.300 ( 4.438 6.673 -1.809) 8.216 15.537 ( -9.580 1.195 -0.813) 9.688 15.638 ( -1.591 3.548 2.832) 4.811 15.787 ( 0.669 1.235 -2.895) 3.218 16.014 ( -7.640 11.344 -3.533) 14.126 16.648 ( 15.700 -9.375 -0.734) 18.301 16.956 ( 7.782 -5.921 1.237) 9.856 17.166 ( 0.788 -1.406 0.182) 1.622 21.094 ( -7.436 3.985 1.622) 8.591 21.192 ( -6.168 2.586 1.493) 6.853 23.170 ( -0.635 -1.725 0.185) 1.848 23.538 ( 1.525 -3.668 0.391) 3.992 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -7.091 25.009 10.102) 27.889 1.430 ( -3.664 27.241 9.574) 29.106 2.367 ( -20.794 36.936 11.462) 43.909 2.618 ( 2.271 -2.687 -4.358) 5.601 2.759 ( -2.025 0.167 1.474) 2.510 2.881 ( -2.078 -10.792 -9.207) 14.338 2.943 ( 2.054 -0.830 -3.923) 4.505 3.122 ( 6.605 -8.189 5.438) 11.843 3.256 ( -2.931 3.115 -0.809) 4.353 3.271 ( 6.789 -3.635 -9.015) 11.856 3.369 ( 4.399 -7.883 1.411) 9.137 3.555 ( 5.359 -0.543 13.405) 14.447 3.622 ( 0.513 7.768 4.987) 9.245 3.818 ( 1.273 0.501 -7.487) 7.611 3.955 ( 7.209 2.221 8.514) 11.375 4.216 ( 1.512 -6.231 -6.060) 8.822 4.592 ( 2.314 5.272 -0.315) 5.766 4.622 ( -8.012 4.764 1.732) 9.481 4.973 ( -3.726 6.040 2.153) 7.416 5.088 ( -1.849 10.111 -0.077) 10.279 5.250 ( 11.588 0.911 0.286) 11.627 5.677 ( -6.136 1.270 -3.982) 7.425 6.017 ( -1.932 -3.383 -3.913) 5.522 6.125 ( -1.525 0.557 5.201) 5.448 6.217 ( -2.912 4.762 3.948) 6.837 6.369 ( 0.827 -3.081 0.432) 3.219 6.555 ( -2.121 8.885 1.801) 9.311 6.867 ( 7.547 4.295 2.777) 9.117 7.080 ( 2.328 7.233 -3.574) 8.397 7.234 ( 0.942 3.354 -1.275) 3.710 7.462 ( -13.605 3.094 -2.606) 14.193 7.671 ( -7.516 24.184 4.487) 25.720 8.001 ( 3.229 -2.021 -0.819) 3.896 8.075 ( 0.137 -6.939 -2.264) 7.300 8.781 ( -3.302 4.000 2.258) 5.657 8.982 ( 6.831 -2.046 -2.991) 7.733 9.203 ( 0.414 12.915 -4.449) 13.666 9.342 ( 5.762 2.589 -0.481) 6.335 9.819 ( -8.868 -12.725 -11.468) 19.290 10.217 ( 10.629 -0.515 15.610) 18.892 10.495 ( -3.598 -6.244 -5.244) 8.912 11.136 ( 11.728 5.042 5.693) 13.978 11.720 ( 6.807 0.642 -9.757) 11.914 11.879 ( -8.525 -10.962 3.807) 14.399 12.132 ( -5.397 3.095 8.670) 10.671 12.307 ( -11.629 -0.501 0.261) 11.642 12.855 ( -5.828 0.497 -3.673) 6.907 13.068 ( -1.720 -2.538 -1.638) 3.476 15.347 ( 2.287 9.086 0.212) 9.371 15.450 ( -4.472 1.793 6.509) 8.098 15.644 ( 0.168 3.453 2.821) 4.462 15.833 ( -3.593 5.181 -0.272) 6.311 15.902 ( 5.276 13.247 -2.215) 14.430 16.860 ( 11.388 -5.857 -0.713) 12.826 17.030 ( 0.245 -2.127 -0.251) 2.156 17.180 ( 2.459 -3.671 -1.540) 4.679 20.959 ( -8.062 5.562 -2.600) 10.134 21.113 ( -5.355 4.132 0.867) 6.819 23.164 ( 0.017 -2.530 -0.318) 2.550 23.542 ( 0.627 -4.362 -2.754) 5.197 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.650 20.656 4.857) 21.229 1.892 ( -7.210 21.789 0.618) 22.959 2.503 ( -1.541 -7.139 -5.337) 9.046 2.618 ( 0.418 0.912 -6.781) 6.855 2.685 ( -1.812 -3.897 1.175) 4.456 2.836 ( 0.726 -2.203 0.284) 2.337 2.934 ( 1.484 -1.114 6.950) 7.193 3.050 ( 3.697 -11.402 4.661) 12.861 3.100 ( -0.295 -4.065 -9.173) 10.038 3.313 ( -3.591 -0.356 -0.819) 3.701 3.352 ( 1.169 -2.906 -9.638) 10.134 3.551 ( 3.787 -7.570 -5.295) 9.984 3.705 ( 1.572 17.332 6.156) 18.460 3.944 ( -0.452 2.886 22.521) 22.709 4.177 ( -1.162 6.754 10.035) 12.152 4.365 ( 4.188 11.282 9.304) 15.211 4.638 ( -1.156 3.266 2.660) 4.368 4.803 ( 1.327 7.860 0.382) 7.980 5.033 ( -2.512 4.207 -1.062) 5.014 5.191 ( -7.311 3.095 -6.271) 10.117 5.394 ( 1.696 4.472 2.778) 5.531 5.599 ( 1.739 -1.406 -2.202) 3.139 5.989 ( 3.217 2.639 -2.908) 5.076 6.197 ( 3.694 0.788 4.682) 6.016 6.286 ( -5.894 4.397 2.915) 7.910 6.407 ( 3.405 2.250 5.023) 6.472 6.727 ( -4.954 7.271 -1.710) 8.963 6.920 ( -5.612 -2.041 -0.901) 6.039 7.158 ( 0.168 -1.352 -0.644) 1.507 7.256 ( 9.736 -2.199 -2.780) 10.361 7.568 ( 7.103 17.173 -5.575) 19.402 7.902 ( -4.950 -2.084 0.742) 5.422 7.929 ( 1.161 -5.235 -1.600) 5.596 8.100 ( 0.279 13.125 4.713) 13.948 8.736 ( -1.036 -0.754 -7.830) 7.934 8.987 ( 2.552 0.573 2.472) 3.599 9.254 ( -3.979 -4.931 -0.918) 6.403 9.404 ( -1.841 -2.802 -5.651) 6.571 9.570 ( 3.007 9.947 2.264) 10.636 10.200 ( -7.496 -9.256 -2.237) 12.119 10.537 ( 3.716 7.337 8.696) 11.969 11.330 ( -0.653 1.766 -4.196) 4.599 11.613 ( -0.374 -10.634 0.465) 10.651 11.861 ( 13.716 -0.212 -1.450) 13.795 12.057 ( -14.000 0.831 -2.281) 14.208 12.275 ( -0.809 1.634 7.247) 7.472 12.802 ( 2.276 1.641 -2.861) 4.007 12.978 ( 0.346 -2.876 -1.517) 3.270 15.494 ( 1.221 2.101 9.185) 9.501 15.541 ( 1.039 0.290 8.885) 8.950 15.883 ( -3.054 7.542 1.246) 8.232 15.951 ( 1.142 13.104 0.483) 13.163 16.168 ( 1.804 13.314 -1.523) 13.522 16.868 ( 4.992 -6.291 -4.091) 9.013 16.937 ( -4.077 -3.631 0.964) 5.544 17.093 ( -0.790 -5.758 -2.033) 6.157 21.002 ( -0.489 8.918 -2.973) 9.414 21.145 ( -0.988 4.714 -1.720) 5.114 23.113 ( -0.157 -1.358 -1.268) 1.864 23.386 ( 0.073 -7.315 -5.262) 9.011 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -1.573 14.075 6.389) 15.537 1.902 ( 0.550 15.668 6.630) 17.022 2.385 ( -3.154 -3.838 -7.772) 9.223 2.563 ( 0.808 -0.800 -5.282) 5.403 2.651 ( -2.806 -4.751 -0.363) 5.530 2.777 ( 1.789 -6.283 -6.675) 9.340 2.962 ( -4.041 -5.008 -6.919) 9.449 3.088 ( -0.833 -6.651 8.447) 10.783 3.145 ( 0.125 -10.135 2.190) 10.370 3.207 ( 3.452 1.314 -12.523) 13.056 3.319 ( 0.862 -5.613 1.138) 5.791 3.554 ( 3.171 -5.451 -6.018) 8.717 3.854 ( 2.374 25.789 15.220) 30.039 4.167 ( -3.351 3.826 18.611) 19.293 4.276 ( -3.971 5.948 16.419) 17.909 4.431 ( -9.699 11.656 6.842) 16.636 4.695 ( -3.667 7.263 2.662) 8.561 4.840 ( 8.086 5.346 0.673) 9.717 4.943 ( -5.368 2.847 -4.905) 7.808 4.999 ( -4.176 2.051 -3.230) 5.664 5.403 ( -1.145 5.239 1.797) 5.655 5.592 ( 0.478 -1.372 -5.056) 5.261 6.003 ( 1.471 4.852 2.703) 5.746 6.276 ( 4.016 3.139 3.236) 6.037 6.351 ( -3.801 2.722 1.376) 4.873 6.448 ( -5.248 -2.012 6.650) 8.707 6.529 ( -4.249 -3.943 -2.299) 6.236 6.888 ( -5.559 -5.175 -3.575) 8.395 7.125 ( 7.776 7.923 0.243) 11.104 7.524 ( 18.036 -1.587 -2.628) 18.295 7.566 ( 3.668 13.390 -7.859) 15.954 7.859 ( -0.917 0.751 1.854) 2.201 7.982 ( 3.955 -3.289 1.680) 5.411 8.147 ( 0.293 5.400 1.646) 5.653 8.649 ( 0.934 2.121 -5.379) 5.857 9.067 ( 2.975 3.653 2.607) 5.384 9.166 ( -2.557 -4.151 -4.029) 6.324 9.359 ( 5.584 11.512 -7.016) 14.593 9.647 ( 0.858 8.228 7.007) 10.841 10.069 ( -5.638 -8.036 -2.532) 10.138 10.632 ( -3.324 4.798 6.716) 8.898 11.257 ( -2.938 -2.284 0.050) 3.721 11.511 ( -9.296 -6.744 -5.574) 12.766 11.759 ( -16.135 -8.105 -2.913) 18.290 12.160 ( 18.893 2.235 2.782) 19.227 12.405 ( 8.137 -1.604 4.029) 9.220 12.844 ( 5.298 2.254 -1.948) 6.079 12.975 ( 2.102 -0.643 -3.190) 3.874 15.642 ( 2.092 5.124 7.349) 9.200 15.684 ( 1.966 3.849 5.132) 6.709 15.781 ( -6.907 6.322 10.482) 14.055 15.925 ( -6.560 4.395 -1.548) 8.047 16.241 ( 8.102 14.398 1.181) 16.563 16.790 ( -9.211 -5.047 -2.078) 10.706 16.883 ( -4.437 -5.842 -0.942) 7.396 17.009 ( -4.290 -6.279 -4.536) 8.855 21.002 ( 3.629 7.592 -2.102) 8.674 21.137 ( 3.005 4.313 -2.491) 5.816 23.101 ( 0.294 -1.884 -1.203) 2.255 23.325 ( 0.540 -6.541 -6.554) 9.275 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 2.732 7.145 12.073) 14.293 2.019 ( 7.326 6.493 8.337) 12.859 2.289 ( 0.715 1.355 -4.156) 4.429 2.519 ( -2.242 -3.447 -0.778) 4.185 2.612 ( -0.203 -5.299 -1.787) 5.596 2.749 ( 2.370 -7.779 -6.085) 10.156 2.820 ( -5.894 0.078 -4.298) 7.295 3.007 ( -1.114 -3.133 -11.040) 11.530 3.147 ( -2.869 -3.673 -0.804) 4.730 3.210 ( -0.031 -6.632 3.184) 7.357 3.337 ( 1.074 -7.367 -2.064) 7.725 3.535 ( 1.908 -4.869 -3.171) 6.116 4.022 ( -5.184 14.373 7.726) 17.122 4.196 ( -9.917 6.782 12.412) 17.274 4.253 ( -14.777 11.822 3.412) 19.229 4.450 ( -2.941 5.999 20.447) 21.511 4.569 ( -5.933 9.457 -3.075) 11.580 4.811 ( 0.441 -1.982 -5.412) 5.780 4.869 ( -3.193 6.752 -1.248) 7.572 5.150 ( 11.576 7.233 3.332) 14.051 5.444 ( 1.633 1.608 3.308) 4.024 5.535 ( 0.544 0.550 -3.390) 3.477 6.029 ( -10.943 -3.013 4.187) 12.098 6.179 ( -4.000 -2.142 2.634) 5.247 6.373 ( 2.105 4.656 4.928) 7.099 6.462 ( -0.238 -1.729 3.094) 3.552 6.562 ( -2.555 -3.647 -2.101) 4.924 6.662 ( -4.639 -8.071 -10.620) 14.123 7.315 ( 7.921 11.014 2.643) 13.822 7.556 ( 3.420 9.719 -3.729) 10.958 7.708 ( 11.341 3.056 -1.409) 11.830 7.962 ( 6.981 -2.589 4.817) 8.868 8.031 ( 2.848 -0.890 -2.676) 4.008 8.145 ( 2.099 0.574 -3.505) 4.125 8.697 ( 7.338 6.226 2.160) 9.863 8.999 ( -2.336 5.019 -7.864) 9.617 9.254 ( 8.736 8.368 4.485) 12.902 9.409 ( 6.457 9.497 -3.313) 11.953 9.752 ( 1.484 5.047 8.128) 9.682 9.925 ( -4.856 0.780 -8.731) 10.021 10.614 ( -7.784 2.327 8.487) 11.749 11.195 ( -11.007 -4.116 -12.104) 16.870 11.292 ( -5.553 -4.803 9.144) 11.727 11.518 ( -8.857 -13.538 -4.822) 16.881 12.482 ( 16.634 -0.935 3.439) 17.011 12.583 ( 8.873 -2.050 3.015) 9.593 12.904 ( 4.920 2.036 -2.204) 5.763 12.965 ( 2.569 1.472 -5.463) 6.214 15.531 ( -11.121 8.443 -0.093) 13.963 15.735 ( -7.888 4.770 1.084) 9.282 15.848 ( 3.495 2.162 1.926) 4.539 15.941 ( 2.919 1.328 10.051) 10.550 16.425 ( 9.411 8.424 6.835) 14.361 16.573 ( -16.059 -7.074 0.822) 17.567 16.742 ( -11.852 -8.426 -0.132) 14.542 16.909 ( 1.742 -4.218 -9.370) 10.423 21.052 ( 4.289 4.344 -0.947) 6.178 21.178 ( 4.282 2.391 -1.150) 5.038 23.098 ( 0.689 -1.731 -0.657) 1.976 23.263 ( 0.527 -4.948 -5.999) 7.794 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 4.032 3.507 7.176) 8.947 2.300 ( 9.111 -0.071 7.798) 11.992 2.321 ( 4.398 5.444 4.115) 8.119 2.506 ( -0.448 -3.040 5.671) 6.450 2.593 ( 1.356 -4.627 -5.280) 7.150 2.683 ( -5.366 -1.560 -1.328) 5.744 2.712 ( 0.844 -2.815 -6.298) 6.950 2.871 ( -0.735 -0.941 -9.985) 10.056 3.089 ( -6.191 -0.920 2.809) 6.861 3.147 ( -2.808 -1.288 -7.228) 7.861 3.368 ( -0.115 -9.387 4.197) 10.283 3.523 ( -0.814 -7.851 -2.012) 8.146 3.870 ( -10.026 3.470 -0.041) 10.610 3.991 ( -14.842 8.260 0.261) 16.987 4.294 ( -5.119 5.050 12.471) 14.395 4.485 ( -2.028 3.175 -2.926) 4.770 4.586 ( -1.019 1.801 5.910) 6.262 4.742 ( -1.853 -4.668 -2.538) 5.627 4.859 ( -2.016 9.887 3.862) 10.804 5.274 ( 5.708 11.742 -3.243) 13.453 5.481 ( -0.546 3.853 1.849) 4.308 5.557 ( 2.879 -2.012 -0.153) 3.515 5.861 ( -11.476 -8.587 4.992) 15.178 6.202 ( -4.488 -8.158 -2.724) 9.701 6.338 ( -6.479 -1.322 1.826) 6.860 6.454 ( 4.242 4.743 -7.744) 10.023 6.524 ( 1.713 -1.104 10.895) 11.084 6.626 ( 4.411 0.571 -5.993) 7.463 7.364 ( -2.155 7.956 0.216) 8.246 7.560 ( -0.430 7.432 -0.872) 7.496 7.905 ( 7.094 6.513 2.100) 9.857 7.965 ( -1.773 0.235 -2.934) 3.437 8.112 ( 6.582 -4.757 -1.279) 8.221 8.243 ( 14.553 3.255 -0.642) 14.926 8.836 ( 1.994 11.678 -4.387) 12.633 8.932 ( 5.742 3.341 1.349) 6.779 9.380 ( -0.333 6.857 -0.152) 6.867 9.512 ( 10.013 6.181 4.072) 12.452 9.810 ( 6.906 12.541 -9.321) 17.083 9.866 ( 0.674 0.786 7.361) 7.433 10.563 ( -9.895 -3.216 4.260) 11.243 10.858 ( -15.008 1.145 -5.378) 15.983 11.331 ( -4.412 -10.448 3.087) 11.753 11.395 ( 0.327 -11.555 -0.646) 11.577 12.715 ( 7.735 -1.178 1.738) 8.015 12.764 ( 10.058 -3.024 4.176) 11.302 12.936 ( 2.664 3.157 -5.258) 6.687 12.954 ( 4.228 1.269 -2.830) 5.244 15.372 ( -7.938 3.340 -0.608) 8.634 15.613 ( -6.404 -1.309 0.441) 6.552 15.870 ( -5.198 0.126 -0.332) 5.210 16.020 ( -1.910 -1.256 1.964) 3.014 16.367 ( -8.737 -5.348 0.643) 10.264 16.546 ( -10.607 -8.788 2.587) 14.016 16.683 ( 9.140 3.785 7.668) 12.517 16.853 ( 4.255 -1.430 -9.009) 10.066 21.107 ( 3.056 1.288 0.256) 3.326 21.229 ( 2.446 -0.511 0.307) 2.517 23.109 ( 1.015 -1.205 0.291) 1.602 23.214 ( 0.060 -3.174 -3.502) 4.726 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 5.587 1.673 5.190) 7.807 2.371 ( 2.065 5.172 -2.235) 6.001 2.432 ( 0.267 1.926 -3.777) 4.248 2.541 ( 1.096 0.231 1.334) 1.742 2.586 ( -0.617 -2.008 0.276) 2.119 2.663 ( 1.559 0.396 -4.746) 5.011 2.714 ( 1.830 -3.103 5.734) 6.772 2.809 ( 2.875 -1.001 2.145) 3.724 3.008 ( -8.345 3.118 2.889) 9.366 3.033 ( -0.094 1.988 -6.310) 6.617 3.354 ( -6.818 -1.630 3.251) 7.728 3.480 ( -3.215 -8.416 -0.578) 9.028 3.792 ( -1.848 -5.996 -0.483) 6.292 3.840 ( -0.013 -6.021 -1.561) 6.220 4.261 ( -12.414 -7.170 4.783) 15.113 4.381 ( -8.554 -9.368 -3.243) 13.094 4.523 ( 2.125 3.866 -10.635) 11.514 4.758 ( -1.502 -4.458 5.600) 7.314 4.862 ( -1.555 12.291 3.326) 12.827 5.285 ( 2.485 12.389 -7.061) 14.475 5.461 ( -4.690 7.777 4.527) 10.148 5.621 ( 1.651 -7.721 3.647) 8.697 5.820 ( -0.284 -2.004 3.951) 4.439 6.005 ( -6.741 -6.722 -5.686) 11.089 6.365 ( 2.999 -0.209 -7.915) 8.467 6.424 ( 4.279 6.235 -3.213) 8.217 6.607 ( 2.282 3.842 -0.057) 4.469 6.733 ( 3.168 -4.971 9.860) 11.488 7.286 ( -5.039 8.268 -3.200) 10.197 7.528 ( -2.747 5.833 0.346) 6.457 7.873 ( -2.667 2.236 -1.462) 3.775 7.923 ( -3.779 2.960 -1.307) 4.975 8.273 ( 14.370 4.376 -7.076) 16.605 8.460 ( 10.392 4.456 0.690) 11.328 8.731 ( -2.188 10.110 -4.201) 11.164 9.106 ( 3.337 2.591 8.904) 9.855 9.385 ( 0.424 2.042 2.795) 3.488 9.685 ( 5.931 2.637 0.709) 6.530 9.913 ( 14.591 13.526 -3.336) 20.174 9.966 ( 4.164 -2.092 4.696) 6.616 10.377 ( -10.935 -3.738 -4.061) 12.248 10.640 ( -13.480 6.101 3.462) 15.196 11.275 ( 0.482 -11.168 -4.726) 12.136 11.429 ( -2.090 -9.300 5.198) 10.857 12.810 ( 3.487 -0.015 0.049) 3.487 12.919 ( 3.598 -0.481 2.535) 4.428 12.939 ( 4.460 1.276 -2.840) 5.440 13.007 ( 3.939 -0.583 1.505) 4.257 15.281 ( -2.054 -2.564 -1.144) 3.479 15.558 ( -1.875 -8.680 0.791) 8.915 15.699 ( -12.349 -4.606 -0.862) 13.208 15.928 ( -10.172 -9.754 0.002) 14.093 16.303 ( 1.207 0.299 -4.077) 4.263 16.448 ( -2.115 -3.550 -2.390) 4.773 16.846 ( 5.301 1.752 -3.499) 6.589 16.890 ( 4.304 1.145 6.161) 7.602 21.147 ( 1.011 -1.292 0.976) 1.909 21.257 ( 0.474 -3.073 0.535) 3.155 23.137 ( 1.216 -0.698 1.728) 2.226 23.192 ( -0.489 -1.772 0.089) 1.840 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -2.764 1.273 -9.507) 9.982 2.359 ( 0.399 2.680 -5.988) 6.572 2.428 ( 3.505 4.888 1.202) 6.133 2.567 ( 0.153 2.953 -4.061) 5.024 2.594 ( 2.353 -3.035 1.625) 4.170 2.671 ( 3.366 3.981 4.093) 6.628 2.758 ( -0.271 2.545 5.817) 6.355 2.866 ( -10.851 3.696 4.165) 12.196 2.969 ( 3.798 -1.429 2.277) 4.652 3.032 ( 5.159 1.877 -3.062) 6.286 3.269 ( -6.752 -1.814 1.599) 7.173 3.412 ( -2.803 -3.831 0.467) 4.770 3.789 ( 3.841 -12.128 -5.389) 13.816 3.921 ( 10.682 -15.025 -2.560) 18.612 4.039 ( -11.862 -16.583 -4.611) 20.904 4.160 ( -13.300 -17.145 -2.820) 21.881 4.512 ( 6.056 6.356 -4.783) 9.997 4.742 ( -5.191 -5.973 0.355) 7.922 4.888 ( -0.899 13.702 3.618) 14.200 5.247 ( 3.450 12.518 -5.507) 14.104 5.470 ( -1.798 10.751 7.062) 12.988 5.671 ( -0.982 -8.277 4.798) 9.617 5.816 ( -2.422 -2.316 -4.244) 5.407 5.955 ( 2.465 1.130 2.079) 3.417 6.323 ( 2.903 0.684 -5.602) 6.347 6.430 ( 3.591 5.125 -8.831) 10.823 6.659 ( 1.852 0.025 1.381) 2.311 6.784 ( -5.111 -3.210 1.096) 6.134 7.211 ( 0.776 7.088 -0.338) 7.138 7.492 ( -2.095 4.008 0.255) 4.530 7.854 ( -0.279 4.224 -0.249) 4.241 7.865 ( -0.340 1.042 0.641) 1.269 8.316 ( 6.099 8.211 -12.360) 16.043 8.512 ( 0.331 3.808 -8.019) 8.883 8.791 ( 5.229 8.828 9.584) 14.040 9.160 ( -4.077 1.502 1.891) 4.738 9.423 ( -1.135 3.120 4.332) 5.458 9.770 ( 2.832 -1.543 3.098) 4.472 10.096 ( -1.509 0.837 8.129) 8.310 10.122 ( 14.681 11.741 -2.737) 18.997 10.217 ( -0.575 -7.226 -1.536) 7.410 10.469 ( -11.733 9.011 1.970) 14.925 11.223 ( -1.672 -8.136 -4.235) 9.323 11.436 ( -0.849 -9.328 1.109) 9.432 12.839 ( 0.571 1.566 0.072) 1.668 12.964 ( 1.355 -2.330 -1.389) 3.032 12.997 ( 2.593 3.192 3.981) 5.723 13.090 ( 1.230 -2.310 4.412) 5.130 15.283 ( 3.210 -7.631 -0.922) 8.329 15.472 ( -7.691 -11.522 -1.463) 13.931 15.632 ( 4.631 -8.101 0.590) 9.350 15.751 ( -10.945 -12.036 0.137) 16.269 16.280 ( 2.345 1.700 -6.148) 6.796 16.391 ( 0.675 -1.467 -6.995) 7.179 16.907 ( 4.593 2.709 0.346) 5.343 16.963 ( -1.779 1.755 2.937) 3.856 21.161 ( -0.487 -2.877 0.967) 3.075 21.261 ( -0.222 -4.765 0.086) 4.771 23.184 ( -0.099 -0.525 4.052) 4.087 23.201 ( 0.388 -0.821 2.530) 2.688 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -3.144 1.142 -7.546) 8.254 2.257 ( -2.342 -0.373 -7.902) 8.250 2.417 ( -0.558 4.733 -4.780) 6.750 2.508 ( -0.038 3.969 -3.591) 5.353 2.698 ( -5.555 2.577 1.733) 6.364 2.767 ( 6.215 -2.844 3.629) 7.738 2.789 ( -0.565 1.764 4.782) 5.129 2.800 ( -3.446 0.795 4.371) 5.623 3.011 ( 3.610 1.471 3.246) 5.073 3.108 ( 7.059 3.723 -2.729) 8.435 3.209 ( 0.109 -3.689 -0.462) 3.719 3.439 ( 3.198 -4.806 2.169) 6.167 3.725 ( 0.391 -9.014 -9.559) 13.144 3.869 ( -3.898 -12.788 -7.169) 15.170 3.935 ( -5.258 -13.353 -3.034) 14.668 4.118 ( 13.387 -17.608 -4.019) 22.482 4.476 ( -5.795 1.764 -6.635) 8.985 4.715 ( 4.988 -5.231 1.761) 7.440 4.910 ( -1.891 13.499 4.832) 14.462 5.284 ( 5.356 12.748 -1.703) 13.932 5.512 ( -4.285 13.206 4.826) 14.699 5.690 ( -4.342 -5.513 5.220) 8.746 5.756 ( -1.047 -7.398 -0.047) 7.472 6.015 ( 6.815 5.642 -3.269) 9.432 6.304 ( -0.099 -1.346 -5.802) 5.957 6.361 ( -1.784 -2.644 -3.342) 4.620 6.601 ( -0.011 3.171 -7.338) 7.994 6.776 ( -1.439 0.567 5.711) 5.917 7.263 ( 2.292 1.729 1.356) 3.175 7.480 ( 2.120 1.459 -0.808) 2.698 7.861 ( 2.296 4.142 -0.542) 4.767 7.909 ( 2.359 3.298 0.975) 4.170 8.263 ( 2.872 6.081 -8.899) 11.154 8.323 ( -7.548 2.200 -12.644) 14.889 9.003 ( 5.448 9.025 8.631) 13.625 9.086 ( -3.478 2.515 -1.135) 4.440 9.450 ( -2.854 5.865 7.491) 9.933 9.754 ( -8.034 5.956 -1.198) 10.072 10.029 ( -9.597 -3.976 6.137) 12.066 10.230 ( 0.614 17.657 -3.109) 17.939 10.329 ( -2.569 -7.004 3.123) 8.088 10.452 ( 14.432 -0.921 6.110) 15.699 11.134 ( -2.411 -4.404 -4.697) 6.875 11.445 ( 2.018 -10.262 -0.785) 10.488 12.828 ( -2.990 2.671 1.061) 4.147 12.948 ( -2.043 -3.049 -0.997) 3.804 13.081 ( 0.772 2.041 5.684) 6.089 13.133 ( -1.787 -1.388 4.177) 4.751 15.283 ( -2.668 -6.870 -1.087) 7.450 15.464 ( 10.018 -12.751 -1.579) 16.293 15.616 ( -5.216 -7.891 0.073) 9.460 15.762 ( 9.965 -11.659 0.363) 15.341 16.224 ( -0.359 1.010 -7.378) 7.455 16.305 ( -0.652 -1.802 -8.726) 8.934 16.909 ( -6.813 4.153 0.642) 8.005 16.989 ( 3.515 1.509 2.509) 4.575 21.161 ( -0.701 -2.953 1.238) 3.278 21.257 ( -0.090 -5.315 -0.156) 5.318 23.203 ( -2.489 0.345 4.294) 4.976 23.270 ( 2.051 -1.334 4.707) 5.305 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -7.451 6.247 -8.439) 12.874 2.149 ( -3.043 2.973 -6.275) 7.581 2.367 ( 2.871 -0.613 -5.498) 6.232 2.484 ( -3.556 2.095 5.669) 7.012 2.637 ( 0.435 -6.195 -1.858) 6.482 2.686 ( -3.674 -3.644 0.775) 5.232 2.882 ( 1.554 0.397 4.352) 4.638 2.930 ( 5.946 -1.882 4.045) 7.434 3.122 ( -0.229 -1.674 -4.251) 4.575 3.192 ( 8.316 1.254 5.488) 10.042 3.295 ( 10.536 -0.467 -0.296) 10.551 3.542 ( 6.858 -3.001 2.202) 7.803 3.638 ( 3.278 -1.893 -13.729) 14.241 3.758 ( -1.121 -6.379 -2.498) 6.942 3.871 ( 2.591 -8.793 -4.166) 10.069 4.107 ( -5.254 4.763 -13.176) 14.963 4.450 ( 8.474 -7.844 3.771) 12.148 4.848 ( 5.736 -3.849 3.222) 7.623 4.930 ( -2.152 9.186 4.127) 10.298 5.322 ( 1.368 18.426 -5.943) 19.409 5.446 ( -6.043 3.479 2.196) 7.311 5.644 ( -6.112 0.799 0.976) 6.241 5.714 ( -2.736 -10.620 1.633) 11.088 6.145 ( 5.509 1.111 -0.456) 5.638 6.213 ( 5.144 -1.921 -7.660) 9.425 6.351 ( -0.888 -6.532 6.361) 9.161 6.576 ( 1.944 5.790 -3.749) 7.167 6.787 ( -1.578 -0.592 0.059) 1.687 7.266 ( 0.059 3.046 -2.988) 4.268 7.574 ( 6.659 -0.510 4.068) 7.820 7.876 ( -1.703 7.857 -3.160) 8.638 7.923 ( 0.656 3.483 -1.771) 3.962 8.064 ( -5.467 2.215 -8.247) 10.140 8.239 ( 2.532 3.538 -5.403) 6.937 8.989 ( -5.105 5.081 -0.191) 7.205 9.135 ( 0.837 1.203 2.191) 2.636 9.466 ( -9.271 9.917 -0.539) 13.586 9.591 ( -6.854 6.898 6.652) 11.782 9.942 ( -10.700 -0.025 6.267) 12.400 10.185 ( -1.161 18.123 2.375) 18.315 10.300 ( -2.844 -9.315 -2.083) 9.960 10.779 ( 17.240 -3.039 2.206) 17.644 11.081 ( 1.452 -2.158 -0.790) 2.719 11.486 ( 3.664 -11.742 0.061) 12.301 12.761 ( -6.699 3.572 0.428) 7.604 12.868 ( -7.417 -2.517 -0.218) 7.836 13.120 ( -3.434 -0.774 3.613) 5.045 13.141 ( -2.024 0.469 3.980) 4.489 15.256 ( 2.360 -1.489 -2.129) 3.510 15.562 ( 1.216 -7.936 0.953) 8.085 15.697 ( 15.758 -8.044 -1.630) 17.767 15.897 ( 3.976 -5.103 -1.133) 6.568 16.111 ( -2.679 -1.213 -7.250) 7.823 16.210 ( 4.102 -7.544 -8.836) 12.321 16.795 ( -7.833 6.643 1.241) 10.345 17.066 ( 2.050 -0.665 3.101) 3.777 21.171 ( -0.670 -1.639 2.332) 2.928 21.255 ( -0.125 -4.256 0.060) 4.258 23.203 ( -3.063 1.242 3.507) 4.819 23.354 ( 1.694 -2.645 4.782) 5.721 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -4.658 14.253 -2.746) 15.244 1.983 ( -7.372 12.381 -5.246) 15.335 2.429 ( 7.392 -3.869 -1.036) 8.407 2.538 ( -1.024 -5.031 10.407) 11.604 2.638 ( -0.606 -7.740 1.976) 8.011 2.742 ( 8.817 -8.535 -1.091) 12.320 2.946 ( 1.847 -2.932 2.194) 4.102 2.978 ( -3.078 -6.709 -2.186) 7.699 3.116 ( 3.770 -0.406 4.522) 5.901 3.338 ( 4.458 2.604 1.297) 5.324 3.405 ( 6.055 4.167 -11.867) 13.959 3.534 ( -0.137 -4.804 -6.617) 8.178 3.661 ( 4.809 0.678 2.431) 5.431 3.759 ( 0.869 0.955 -4.797) 4.968 3.914 ( 7.257 9.050 -5.958) 13.041 3.941 ( 5.554 5.569 -2.490) 8.250 4.645 ( 4.870 -4.030 9.138) 11.112 4.916 ( -1.371 9.979 3.302) 10.600 4.939 ( 1.200 -4.770 -2.609) 5.567 5.160 ( -9.734 11.776 -4.345) 15.884 5.381 ( -2.525 3.205 -2.532) 4.802 5.633 ( 1.540 -1.236 4.090) 4.542 5.778 ( 8.080 -9.267 2.514) 12.550 6.072 ( -2.667 -4.717 -6.153) 8.199 6.315 ( 3.101 1.602 4.611) 5.783 6.438 ( 3.969 1.967 -4.527) 6.334 6.525 ( -3.779 -0.326 -2.659) 4.632 6.779 ( 3.386 -4.765 1.758) 6.104 7.241 ( 1.754 10.214 -3.654) 10.989 7.672 ( -7.286 9.131 -6.653) 13.443 7.735 ( 1.535 5.065 5.610) 7.713 7.942 ( -2.637 1.602 1.109) 3.278 7.985 ( 2.240 -2.294 -3.906) 5.053 8.208 ( 0.238 4.911 -4.418) 6.610 8.906 ( -4.708 2.297 0.034) 5.239 9.135 ( -6.833 -3.722 2.511) 8.176 9.250 ( -6.378 12.308 -1.608) 13.955 9.557 ( -7.589 7.106 1.361) 10.485 9.847 ( -10.393 1.639 7.132) 12.711 10.189 ( -6.495 -10.159 -2.494) 12.313 10.313 ( 9.691 13.077 4.882) 16.993 10.934 ( 8.861 4.764 -7.517) 12.558 11.252 ( 13.856 -5.657 6.365) 16.263 11.554 ( 3.441 -13.306 1.767) 13.857 12.619 ( -11.219 3.946 -1.186) 11.951 12.714 ( -11.885 -0.294 0.661) 11.907 13.078 ( -5.477 -1.151 1.893) 5.908 13.127 ( -3.809 -0.910 1.502) 4.194 15.317 ( 8.340 4.241 -2.431) 9.667 15.631 ( 5.877 -0.057 1.227) 6.004 15.747 ( -6.653 -0.597 -6.395) 9.248 15.859 ( -6.199 -1.465 -1.510) 6.546 16.119 ( 16.964 -5.030 -3.865) 18.111 16.284 ( 10.266 -7.623 -4.474) 13.547 16.733 ( -1.198 2.966 2.829) 4.270 17.114 ( 0.032 -2.757 2.353) 3.625 21.183 ( -2.002 0.381 2.950) 3.586 21.251 ( -0.986 -1.591 0.603) 1.967 23.185 ( -2.929 1.551 2.012) 3.878 23.420 ( 0.923 -4.277 3.121) 5.375 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.509 20.605 6.916) 21.787 1.856 ( -4.224 20.119 -0.509) 20.564 2.514 ( 4.214 -3.686 -0.586) 5.629 2.663 ( -0.231 -8.157 3.174) 8.756 2.667 ( 3.188 -7.572 7.612) 11.200 2.802 ( 0.579 -6.411 -6.862) 9.408 2.910 ( 0.791 -9.330 0.862) 9.403 3.048 ( 4.093 -8.050 3.301) 9.615 3.177 ( -6.831 2.878 -2.131) 7.713 3.284 ( 3.893 -0.563 -16.137) 16.610 3.343 ( 1.804 8.624 5.930) 10.620 3.504 ( -1.110 6.301 3.581) 7.332 3.700 ( 4.017 0.971 -4.173) 5.873 3.806 ( 0.941 5.844 1.488) 6.103 4.008 ( 8.969 9.657 -1.838) 13.308 4.055 ( 8.601 2.334 -0.978) 8.965 4.748 ( -5.959 0.406 5.684) 8.245 4.777 ( -3.535 2.960 -7.093) 8.460 5.028 ( 5.254 5.201 4.748) 8.786 5.094 ( 0.728 3.547 4.940) 6.125 5.319 ( -1.435 7.001 -2.414) 7.543 5.716 ( 1.445 -3.772 3.007) 5.036 5.908 ( 0.295 -6.572 -3.103) 7.273 6.034 ( 11.144 -6.461 -3.383) 13.318 6.344 ( -2.663 3.397 -3.293) 5.429 6.391 ( -4.459 1.005 1.045) 4.689 6.473 ( 5.693 3.932 0.954) 6.984 6.925 ( 6.871 -6.023 3.912) 9.939 7.200 ( -5.650 14.257 -1.527) 15.412 7.485 ( -1.264 12.629 -8.534) 15.294 7.782 ( -13.779 2.068 0.049) 13.934 7.859 ( 2.776 0.287 3.025) 4.116 7.990 ( 0.061 -3.284 -1.698) 3.698 8.160 ( -2.047 9.251 -2.199) 9.726 8.872 ( 0.915 -1.553 -0.392) 1.844 8.976 ( -9.219 6.739 -0.052) 11.419 9.275 ( -0.724 -2.738 5.655) 6.324 9.450 ( -1.885 9.086 -2.336) 9.569 9.747 ( -11.747 -8.370 3.940) 14.952 10.105 ( 1.274 -0.691 -0.354) 1.492 10.469 ( 2.673 5.175 1.137) 5.934 11.046 ( 13.490 9.652 -1.430) 16.649 11.510 ( 13.413 -9.580 -3.760) 16.907 11.638 ( 3.388 -11.649 5.399) 13.279 12.394 ( -14.707 5.779 -0.361) 15.806 12.525 ( -13.427 1.742 1.405) 13.612 12.987 ( -7.158 -0.770 -0.403) 7.210 13.066 ( -3.872 -2.864 -0.769) 4.877 15.437 ( 8.230 7.337 -2.590) 11.326 15.558 ( -9.112 0.984 -1.591) 9.302 15.685 ( -2.944 2.180 1.432) 3.934 15.822 ( 8.334 2.294 -0.322) 8.649 16.256 ( -0.036 11.806 -2.854) 12.146 16.467 ( 19.445 -8.965 -1.383) 21.457 16.833 ( 8.235 -5.403 2.359) 10.127 17.116 ( -1.603 -4.331 0.496) 4.645 21.156 ( -4.314 2.906 0.885) 5.277 21.235 ( -2.689 1.553 1.400) 3.406 23.159 ( -2.058 0.964 0.455) 2.318 23.447 ( 0.128 -5.863 0.368) 5.876 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -1.707 21.722 2.439) 21.925 1.923 ( 0.675 24.439 6.986) 25.427 2.544 ( 1.709 -4.567 -2.728) 5.588 2.668 ( -2.984 -2.433 2.178) 4.424 2.717 ( -0.463 -3.349 -4.838) 5.903 2.763 ( -2.240 -1.952 6.926) 7.536 2.950 ( 0.230 -6.363 -4.013) 7.526 2.961 ( 1.146 -6.455 0.009) 6.556 3.183 ( 3.513 -4.600 -9.226) 10.891 3.255 ( 6.634 -2.146 2.276) 7.334 3.438 ( -0.090 7.460 -2.651) 7.917 3.554 ( -1.995 -0.582 10.312) 10.520 3.694 ( -1.145 6.680 -5.421) 8.679 3.770 ( 0.073 -0.276 3.984) 3.994 4.104 ( -0.051 1.400 5.505) 5.681 4.197 ( 8.397 14.540 2.678) 17.002 4.667 ( -5.161 1.853 3.269) 6.384 4.754 ( 2.576 6.956 -1.199) 7.514 5.068 ( -1.837 4.925 1.226) 5.397 5.260 ( 8.392 -0.019 2.279) 8.696 5.296 ( -0.256 8.869 0.599) 8.893 5.660 ( -5.640 -2.920 -2.624) 6.872 5.938 ( 6.268 -2.710 -1.662) 7.028 6.108 ( 3.237 -1.455 -1.397) 3.814 6.314 ( 0.209 2.011 2.295) 3.058 6.384 ( -3.773 3.563 3.386) 6.196 6.649 ( 12.359 3.137 1.452) 12.833 6.996 ( -5.412 3.712 3.871) 7.619 7.081 ( 0.815 1.961 -3.093) 3.752 7.433 ( -5.908 8.586 -6.768) 12.427 7.521 ( -4.548 6.472 -2.423) 8.273 7.935 ( 1.967 -5.345 0.187) 5.698 7.962 ( -1.085 -1.656 -1.681) 2.598 8.089 ( -5.382 15.663 2.289) 16.720 8.835 ( -0.807 -0.983 -7.535) 7.641 8.932 ( -0.506 1.955 4.562) 4.989 9.291 ( -2.723 -2.788 3.576) 5.289 9.472 ( 3.725 7.346 -0.314) 8.243 9.568 ( -8.748 -10.855 -3.145) 14.291 10.228 ( 6.403 -6.447 4.414) 10.102 10.445 ( -3.134 9.850 0.799) 10.367 11.270 ( 11.744 8.677 0.508) 14.610 11.579 ( 4.579 -15.755 -4.073) 16.905 11.749 ( 6.215 -3.915 -2.409) 7.730 12.220 ( -8.769 5.836 3.750) 11.181 12.330 ( -14.078 2.672 3.774) 14.818 12.861 ( -4.942 0.215 -3.325) 5.960 13.006 ( -2.138 -3.901 -1.061) 4.574 15.443 ( -4.125 2.128 4.012) 6.135 15.486 ( -2.270 1.212 3.185) 4.095 15.760 ( 8.977 8.427 1.796) 12.443 15.955 ( 4.831 6.606 0.253) 8.188 16.187 ( -2.752 16.124 -1.874) 16.464 16.736 ( 14.715 -6.656 -1.236) 16.198 16.957 ( 2.673 -5.204 0.836) 5.910 17.095 ( 0.796 -5.489 -1.380) 5.715 21.075 ( -4.493 6.440 -1.906) 8.081 21.193 ( -3.563 3.757 0.319) 5.187 23.133 ( -0.955 -0.235 -0.717) 1.217 23.433 ( -0.216 -7.014 -2.694) 7.517 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.967 13.963 -2.726) 14.260 2.265 ( -6.815 15.644 -7.685) 18.715 2.392 ( -0.649 -2.926 -4.230) 5.184 2.626 ( -1.994 -1.756 2.599) 3.716 2.643 ( -2.227 -14.141 -6.393) 15.678 2.658 ( -1.467 -1.908 -1.926) 3.082 2.839 ( 2.767 -0.111 4.627) 5.392 2.942 ( 0.814 -3.902 5.385) 6.700 3.071 ( 3.060 -0.592 -6.556) 7.259 3.132 ( 3.148 -8.208 -4.019) 9.666 3.367 ( -0.062 1.992 -8.977) 9.195 3.425 ( 1.322 -4.907 -4.358) 6.695 3.996 ( -0.981 2.871 21.268) 21.483 3.997 ( 2.092 4.153 17.856) 18.451 4.441 ( 0.198 20.854 8.953) 22.696 4.574 ( 1.160 9.960 5.053) 11.229 4.655 ( 2.708 -2.366 3.257) 4.851 4.811 ( -1.174 -9.809 4.309) 10.778 5.112 ( -4.707 4.960 -3.412) 7.642 5.188 ( -6.166 -2.362 -5.855) 8.825 5.469 ( 2.053 3.771 2.895) 5.179 5.546 ( 2.098 -3.923 0.057) 4.449 6.072 ( 6.095 5.080 -0.783) 7.973 6.155 ( 7.974 -3.589 1.802) 8.928 6.404 ( -11.411 5.585 3.799) 13.260 6.449 ( -2.287 1.014 5.396) 5.948 6.810 ( -6.430 2.303 -1.826) 7.070 6.863 ( -1.293 -3.510 -0.682) 3.802 7.157 ( 3.245 1.667 -2.254) 4.288 7.205 ( 5.656 -2.865 -3.604) 7.293 7.831 ( -0.590 -1.712 1.565) 2.393 7.842 ( 0.356 -3.064 0.024) 3.085 7.909 ( 7.733 16.852 -13.189) 22.753 8.177 ( 6.409 -8.222 -10.368) 14.703 8.816 ( -6.593 11.132 1.219) 12.995 9.021 ( -4.455 -4.238 2.891) 6.795 9.137 ( -1.459 0.804 3.597) 3.965 9.287 ( 2.876 -9.667 8.008) 12.878 9.775 ( -0.488 11.701 3.417) 12.200 10.001 ( -3.919 -11.621 1.222) 12.325 10.808 ( 1.398 19.171 -0.501) 19.228 11.175 ( 0.123 -17.415 -5.929) 18.397 11.582 ( 1.468 6.772 0.220) 6.933 11.745 ( 4.733 -8.960 -2.768) 10.504 12.163 ( -5.749 6.986 -1.596) 9.187 12.264 ( -2.921 -3.137 1.567) 4.564 12.848 ( 1.857 3.201 -0.346) 3.717 12.915 ( 1.183 -3.665 0.112) 3.853 15.521 ( 0.856 1.033 10.084) 10.172 15.537 ( 0.917 -0.592 9.469) 9.531 16.025 ( -0.860 6.632 0.641) 6.719 16.088 ( -1.112 1.214 -0.589) 1.749 16.459 ( 2.651 15.388 -2.315) 15.785 16.709 ( 3.830 -10.789 -3.927) 12.104 16.901 ( -2.956 1.023 1.107) 3.319 16.977 ( -1.639 -6.014 -0.905) 6.298 21.150 ( -0.424 5.845 -2.049) 6.208 21.202 ( -0.620 0.488 -1.688) 1.863 23.130 ( -0.137 3.478 -2.926) 4.547 23.240 ( 0.002 -7.497 -4.470) 8.728 ======================= Grid point 144 (76/170) ======================= q-point: ( 0.09 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -4.361 9.657 -2.812) 10.963 2.144 ( -1.909 6.499 -3.056) 7.431 2.332 ( -1.430 1.821 -1.762) 2.910 2.521 ( -0.934 -10.939 -6.424) 12.720 2.610 ( -2.194 1.076 -0.637) 2.525 2.626 ( -1.883 -1.976 -0.152) 2.734 2.911 ( 0.857 -1.073 -2.696) 3.025 2.963 ( -0.190 -5.714 4.832) 7.486 3.035 ( -0.628 -1.132 -3.954) 4.160 3.086 ( 2.705 -7.243 -10.540) 13.072 3.348 ( 3.289 5.121 -1.192) 6.202 3.451 ( 4.058 -5.466 -3.326) 7.577 4.185 ( -4.488 5.505 20.324) 21.529 4.213 ( -3.786 0.976 19.286) 19.678 4.497 ( -5.554 16.785 7.819) 19.331 4.649 ( -3.807 7.765 8.429) 12.076 4.737 ( 0.050 0.344 2.558) 2.582 4.895 ( -0.282 -8.090 5.697) 9.899 4.957 ( -2.571 5.396 -3.615) 6.985 5.015 ( -3.134 -0.762 -3.304) 4.618 5.490 ( -0.807 4.005 -0.567) 4.125 5.556 ( 0.208 -2.742 -3.172) 4.198 6.115 ( -5.556 7.423 4.592) 10.346 6.274 ( -12.323 -7.527 2.894) 14.727 6.342 ( 4.316 0.014 4.771) 6.433 6.367 ( 3.374 -0.895 3.791) 5.154 6.604 ( -10.503 7.074 -4.143) 13.323 6.749 ( -11.132 -7.988 -4.977) 14.578 7.305 ( 16.770 9.560 -0.339) 19.306 7.455 ( 20.109 -5.790 -2.021) 21.023 7.758 ( 0.014 4.926 -7.484) 8.959 7.815 ( 0.685 -2.952 -1.340) 3.314 7.987 ( 7.276 6.331 -3.506) 10.262 8.148 ( 3.774 -6.751 -9.371) 12.151 8.771 ( -1.264 10.410 2.631) 10.811 8.975 ( -2.318 -9.902 1.463) 10.275 9.254 ( 6.791 10.281 5.901) 13.662 9.431 ( 8.021 -5.279 2.316) 9.877 9.794 ( -3.492 7.597 6.280) 10.457 9.927 ( -6.526 -6.559 1.682) 9.404 10.830 ( 1.353 14.823 -0.162) 14.885 11.119 ( 1.811 -13.357 -6.030) 14.766 11.464 ( -13.820 3.589 -1.393) 14.346 11.594 ( -16.461 -8.711 -4.367) 19.129 12.241 ( 13.685 5.487 0.515) 14.753 12.343 ( 10.091 -4.724 0.486) 11.153 12.897 ( 3.898 3.072 -0.223) 4.968 12.949 ( 3.007 -2.133 -0.987) 3.816 15.695 ( 4.900 1.447 11.031) 12.157 15.709 ( 4.935 -0.103 11.606) 12.612 15.925 ( -11.200 6.613 1.651) 13.111 15.985 ( -9.881 0.673 -1.240) 9.981 16.501 ( 4.335 11.863 -1.505) 12.720 16.676 ( -5.390 -7.212 -2.115) 9.249 16.806 ( -8.638 -0.340 -0.377) 8.653 16.882 ( -5.552 -6.691 -3.351) 9.318 21.133 ( 1.057 5.447 -1.895) 5.863 21.186 ( 1.165 0.153 -1.919) 2.251 23.105 ( 1.367 2.652 -3.365) 4.497 23.196 ( 1.454 -6.455 -5.405) 8.544 ======================= Grid point 145 (77/170) ======================= q-point: ( 0.18 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 3.234 3.710 5.335) 7.258 2.119 ( 1.326 0.978 1.160) 2.015 2.337 ( 2.123 5.429 1.796) 6.099 2.471 ( -0.142 -4.949 -1.486) 5.170 2.561 ( -2.255 0.022 -1.471) 2.693 2.592 ( -1.121 -4.893 -1.710) 5.303 2.855 ( -0.285 2.845 -5.758) 6.429 2.932 ( 1.953 -4.285 -11.993) 12.884 3.047 ( -0.244 -4.809 3.687) 6.064 3.064 ( -0.890 -5.077 5.221) 7.337 3.344 ( -0.275 4.532 -5.534) 7.158 3.440 ( 0.834 -5.112 -5.193) 7.334 4.228 ( -13.537 6.195 8.379) 17.083 4.288 ( -8.887 0.334 15.193) 17.604 4.434 ( -12.713 11.833 4.398) 17.916 4.617 ( -8.671 4.492 10.057) 14.018 4.661 ( -10.201 -1.359 -0.660) 10.312 4.718 ( -4.241 -3.164 -6.548) 8.419 5.044 ( 4.336 10.991 3.771) 12.403 5.203 ( 10.689 -3.269 6.722) 13.043 5.471 ( 0.016 1.640 -0.173) 1.649 5.518 ( 0.329 -2.665 -1.431) 3.043 6.002 ( -16.145 3.157 4.259) 16.993 6.112 ( -7.015 -5.908 4.175) 10.077 6.429 ( -7.161 1.008 2.253) 7.574 6.477 ( -0.116 0.537 -0.362) 0.658 6.489 ( -3.454 -0.546 -2.632) 4.376 6.554 ( 10.205 -3.718 -3.798) 11.506 7.503 ( 4.695 8.776 0.365) 9.960 7.633 ( 1.862 -3.764 -1.662) 4.516 7.789 ( 16.401 7.169 -4.102) 18.363 7.896 ( 11.261 -3.996 -0.346) 11.954 8.026 ( 2.793 2.289 -3.251) 4.859 8.113 ( 4.916 -4.744 -8.158) 10.641 8.836 ( 3.915 8.175 4.977) 10.340 8.976 ( 0.428 -5.611 0.722) 5.674 9.450 ( 10.128 11.314 4.552) 15.853 9.572 ( 9.266 2.651 -3.695) 10.322 9.807 ( -4.290 1.038 6.703) 8.026 9.850 ( -4.912 -5.223 1.936) 7.426 10.821 ( -3.586 16.596 -0.028) 16.979 11.104 ( 2.776 -8.557 -5.688) 10.643 11.213 ( -13.439 -2.710 -0.351) 13.714 11.258 ( -17.154 -10.151 -3.294) 20.203 12.488 ( 14.291 1.458 1.915) 14.493 12.531 ( 11.542 -2.877 1.028) 11.940 12.948 ( 3.564 2.171 -1.538) 4.447 12.975 ( 3.000 -0.498 -3.116) 4.354 15.687 ( -13.361 7.348 -0.524) 15.257 15.777 ( -12.850 -1.368 -1.071) 12.967 15.888 ( 3.142 2.957 7.081) 8.292 15.941 ( 2.050 -1.688 9.573) 9.934 16.479 ( -16.669 -1.668 3.013) 17.021 16.509 ( -8.810 -2.404 4.833) 10.332 16.680 ( 0.497 5.138 -3.795) 6.407 16.810 ( 3.727 -6.456 -7.515) 10.585 21.137 ( 1.214 4.195 -0.906) 4.460 21.192 ( 1.158 -1.191 -0.739) 1.819 23.099 ( 2.078 2.002 -2.694) 3.948 23.167 ( 1.900 -4.785 -4.685) 6.961 ======================= Grid point 146 (78/170) ======================= q-point: ( 0.27 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.373 3.726 5.319) 7.829 2.269 ( 8.016 -3.268 8.979) 12.472 2.422 ( 3.908 4.844 2.815) 6.831 2.482 ( 0.822 -0.810 1.688) 2.044 2.524 ( 0.782 -1.055 -1.760) 2.196 2.566 ( 1.143 -5.326 -0.860) 5.515 2.779 ( -1.310 3.690 -5.239) 6.541 2.835 ( 1.561 -2.312 -10.305) 10.676 3.061 ( -1.669 -0.474 3.519) 3.923 3.119 ( -0.840 -4.980 3.023) 5.886 3.257 ( -1.754 2.838 -3.292) 4.687 3.378 ( -1.256 -7.700 -4.856) 9.189 4.022 ( -17.201 10.818 1.870) 20.406 4.195 ( -18.931 10.835 1.686) 21.877 4.231 ( -15.033 -7.362 6.821) 18.075 4.440 ( -16.656 -10.144 -0.244) 19.504 4.625 ( 0.523 3.093 -1.332) 3.408 4.670 ( -0.974 -1.803 4.158) 4.636 5.114 ( 0.900 14.885 2.026) 15.049 5.358 ( 4.532 -8.287 0.945) 9.492 5.481 ( 0.505 3.762 1.175) 3.973 5.555 ( 2.645 -2.286 -0.312) 3.509 5.834 ( -8.032 7.056 2.732) 11.035 6.016 ( -6.075 -10.404 -3.957) 12.681 6.354 ( -1.804 2.900 3.263) 4.723 6.435 ( 1.067 -4.879 4.824) 6.944 6.578 ( 4.326 4.581 -0.786) 6.350 6.632 ( 5.151 -0.912 -4.907) 7.172 7.504 ( -3.269 6.826 1.061) 7.643 7.604 ( -3.108 -2.723 0.569) 4.171 7.975 ( 1.509 2.524 -5.782) 6.487 8.021 ( -0.965 -1.043 -2.866) 3.199 8.076 ( 19.995 6.266 0.422) 20.958 8.217 ( 16.525 -5.628 -1.547) 17.525 8.976 ( 4.456 3.151 4.904) 7.337 8.987 ( 0.809 1.846 -0.440) 2.063 9.550 ( -3.713 10.279 -3.288) 11.413 9.653 ( 9.008 5.453 -1.920) 10.704 9.803 ( -3.511 -3.624 6.392) 8.144 9.884 ( 7.537 -5.054 -0.008) 9.074 10.688 ( -9.881 15.330 -2.822) 18.455 10.936 ( -14.300 1.498 0.863) 14.404 11.082 ( 1.874 -10.058 -5.490) 11.611 11.189 ( -1.030 -10.520 5.663) 11.992 12.698 ( 9.096 -0.172 1.262) 9.185 12.714 ( 9.528 -1.875 2.604) 10.054 12.977 ( 2.806 1.174 -2.643) 4.030 12.980 ( 3.054 0.859 -3.265) 4.553 15.463 ( -12.942 5.878 -0.865) 14.240 15.566 ( -12.395 -4.161 -0.301) 13.079 15.873 ( -11.159 1.457 0.589) 11.269 15.944 ( -9.774 -5.347 0.954) 11.182 16.344 ( -3.657 1.989 3.045) 5.157 16.413 ( -5.864 -5.199 4.060) 8.827 16.756 ( 7.941 3.697 1.167) 8.837 16.816 ( 6.056 -2.548 -5.109) 8.323 21.146 ( 0.200 2.657 0.246) 2.676 21.198 ( -0.249 -2.543 0.420) 2.589 23.110 ( 1.881 1.313 -1.021) 2.511 23.153 ( 1.364 -3.015 -2.434) 4.108 ======================= Grid point 147 (79/170) ======================= q-point: ( 0.36 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 6.386 5.378 4.877) 9.669 2.438 ( 0.465 1.784 -3.402) 3.869 2.460 ( 0.091 -0.983 -5.943) 6.024 2.463 ( 3.895 -4.792 4.587) 7.693 2.597 ( 4.610 2.730 2.117) 5.761 2.652 ( 6.064 -2.711 2.017) 6.942 2.740 ( 2.245 4.223 -0.423) 4.802 2.795 ( 4.653 -1.196 -1.736) 5.108 3.067 ( -2.122 2.703 2.488) 4.242 3.090 ( -0.987 4.222 -2.908) 5.221 3.249 ( -2.171 -6.579 4.116) 8.059 3.304 ( -2.063 -7.911 -3.428) 8.866 3.783 ( -13.202 6.683 0.246) 14.799 3.902 ( -17.337 9.269 -0.345) 19.662 4.008 ( -18.000 -15.098 1.153) 23.522 4.140 ( -19.363 -14.487 -1.327) 24.219 4.619 ( 2.437 4.998 -4.144) 6.935 4.695 ( -0.031 -3.090 0.318) 3.106 5.150 ( 0.751 15.950 2.825) 16.215 5.418 ( 1.989 -10.113 1.625) 10.434 5.478 ( 0.087 5.118 -2.965) 5.916 5.557 ( 0.281 -0.170 -1.682) 1.713 5.835 ( 0.256 3.342 6.425) 7.247 5.906 ( -1.916 -3.912 -1.867) 4.740 6.392 ( 3.529 4.018 -4.662) 7.094 6.488 ( 5.245 -2.791 -6.553) 8.845 6.635 ( 1.386 0.312 0.865) 1.664 6.659 ( 1.253 -1.077 5.655) 5.892 7.443 ( -4.562 7.838 -0.816) 9.105 7.555 ( -3.833 -3.022 0.217) 4.886 7.915 ( -0.792 2.227 -3.928) 4.585 7.945 ( -2.162 -0.488 -4.457) 4.978 8.371 ( 16.039 6.088 -1.535) 17.224 8.470 ( 13.707 -3.188 -0.098) 14.074 8.928 ( -3.734 9.678 -2.070) 10.578 9.074 ( -0.906 -5.324 4.585) 7.084 9.490 ( -1.908 8.420 3.744) 9.410 9.655 ( -1.030 -6.896 -1.713) 7.180 9.914 ( 5.376 2.272 5.973) 8.351 10.008 ( 7.642 -4.702 -1.633) 9.120 10.528 ( -4.165 17.083 -4.289) 18.099 10.765 ( -8.383 -0.765 -0.159) 8.419 11.090 ( 1.981 -2.696 -0.886) 3.461 11.229 ( -2.170 -11.353 5.416) 12.764 12.815 ( 4.628 1.151 0.680) 4.818 12.858 ( 4.782 -3.250 2.214) 6.191 12.992 ( 2.988 2.088 -1.339) 3.883 13.011 ( 2.814 -0.008 0.035) 2.814 15.284 ( -7.912 2.984 -1.093) 8.526 15.391 ( -9.433 -7.893 -0.201) 12.301 15.664 ( -12.147 1.142 -0.141) 12.202 15.748 ( -13.170 -7.652 0.046) 15.232 16.343 ( 2.388 2.862 -3.762) 5.296 16.394 ( 1.241 -2.572 -3.068) 4.192 16.880 ( 5.384 1.541 -0.202) 5.604 16.898 ( 5.085 -0.310 3.592) 6.233 21.145 ( -0.922 1.225 0.619) 1.653 21.191 ( -1.278 -3.371 0.536) 3.645 23.136 ( 1.285 0.617 1.323) 1.944 23.158 ( 0.568 -1.608 0.658) 1.828 ======================= Grid point 148 (80/170) ======================= q-point: ( 0.45 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -2.582 3.024 -10.151) 10.902 2.367 ( -1.935 -1.911 -8.997) 9.400 2.491 ( 4.961 2.543 1.467) 5.765 2.536 ( 0.990 -2.340 -0.019) 2.541 2.686 ( 7.195 7.008 0.960) 10.090 2.758 ( 6.011 1.248 1.545) 6.330 2.819 ( 2.783 5.573 3.684) 7.237 2.911 ( 2.500 -2.101 4.567) 5.614 3.009 ( -7.305 7.511 0.100) 10.478 3.071 ( 2.040 2.643 -1.484) 3.654 3.208 ( -6.737 -5.083 0.550) 8.457 3.270 ( 1.196 -9.547 -0.242) 9.625 3.643 ( -5.604 -1.939 -0.859) 5.991 3.716 ( -2.571 -5.121 -0.762) 5.780 3.766 ( -9.112 -9.180 -1.367) 13.007 3.847 ( -14.028 -13.151 -1.263) 19.270 4.603 ( 2.569 3.472 -6.321) 7.656 4.660 ( -1.004 -3.008 -5.371) 6.238 5.193 ( -0.654 16.440 4.379) 17.026 5.440 ( 2.290 5.578 -2.654) 6.588 5.478 ( -0.291 -9.639 3.889) 10.398 5.561 ( 2.223 -2.679 -0.289) 3.494 5.864 ( -2.467 7.426 3.315) 8.498 5.969 ( 2.090 -1.897 8.007) 8.490 6.340 ( 1.540 3.218 -10.675) 11.256 6.444 ( 2.287 -5.083 -12.701) 13.870 6.670 ( 1.152 2.606 1.041) 3.033 6.726 ( -0.534 -2.743 4.227) 5.068 7.360 ( -2.025 8.026 -3.218) 8.881 7.487 ( -2.858 -4.390 -2.673) 5.881 7.891 ( 1.465 1.784 -1.276) 2.638 7.906 ( 1.482 0.789 0.085) 1.681 8.458 ( 3.970 6.412 -11.741) 13.954 8.537 ( 0.932 -1.455 -10.153) 10.299 8.954 ( 3.510 8.109 8.500) 12.260 9.096 ( -1.036 -6.534 4.716) 8.124 9.540 ( -2.481 8.218 9.229) 12.604 9.691 ( 1.588 -6.609 7.695) 10.267 10.030 ( -1.864 -2.242 3.890) 4.861 10.057 ( 3.597 -4.849 -0.821) 6.093 10.478 ( 4.885 16.919 -6.042) 18.617 10.652 ( -4.184 2.768 -2.918) 5.804 11.099 ( -0.805 -1.001 0.398) 1.345 11.235 ( -2.849 -11.272 3.258) 12.074 12.864 ( 1.118 1.740 0.459) 2.118 12.912 ( 0.520 -3.064 0.578) 3.161 13.045 ( 2.230 1.913 2.901) 4.129 13.068 ( 1.672 -0.668 3.290) 3.750 15.200 ( -1.336 -0.583 -0.939) 1.734 15.271 ( -4.432 -7.980 -0.974) 9.180 15.544 ( -2.529 -1.461 0.074) 2.921 15.580 ( -7.328 -5.505 0.038) 9.165 16.323 ( 2.155 2.422 -6.629) 7.379 16.363 ( 1.578 -1.730 -7.060) 7.438 16.954 ( 2.644 2.042 1.805) 3.797 16.977 ( 0.341 -0.297 2.640) 2.678 21.133 ( -0.959 0.298 0.254) 1.036 21.174 ( -0.998 -3.797 -0.071) 3.927 23.179 ( 0.204 0.044 3.792) 3.797 23.186 ( 0.383 -0.670 3.212) 3.304 ======================= Grid point 149 (81/170) ======================= q-point: (-0.45 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -1.141 2.910 -9.207) 9.723 2.227 ( -1.500 -2.601 -9.849) 10.296 2.485 ( -1.083 2.351 -5.203) 5.812 2.526 ( 1.844 -1.790 -5.063) 5.678 2.756 ( -13.982 3.011 1.815) 14.417 2.791 ( -10.010 -0.891 2.238) 10.296 2.829 ( 0.818 7.857 2.421) 8.262 2.913 ( 5.358 10.070 5.200) 12.536 3.030 ( 1.911 -3.337 2.459) 4.564 3.061 ( 2.274 -7.909 -3.394) 8.902 3.182 ( 6.087 4.671 0.255) 7.677 3.327 ( 5.052 -8.410 1.093) 9.871 3.598 ( 4.545 -2.551 -3.851) 6.480 3.664 ( -3.596 -8.421 0.241) 9.160 3.739 ( 4.053 -3.397 -2.481) 5.841 3.826 ( 13.390 -11.414 -2.145) 17.725 4.525 ( -1.452 3.337 -9.263) 9.953 4.604 ( 3.355 -5.100 -5.076) 7.940 5.222 ( -2.917 16.818 5.553) 17.949 5.477 ( 3.031 7.461 1.418) 8.177 5.509 ( -3.252 -11.869 5.538) 13.495 5.612 ( 2.022 -5.458 1.692) 6.061 5.841 ( -5.149 15.952 1.969) 16.878 6.083 ( 1.913 -4.251 6.924) 8.347 6.210 ( -3.754 -1.615 -8.846) 9.744 6.287 ( -1.231 -5.139 -13.638) 14.626 6.690 ( 2.020 4.814 -1.467) 5.423 6.760 ( 0.250 -2.332 2.094) 3.144 7.328 ( 2.448 5.122 -3.375) 6.605 7.433 ( 2.353 -5.104 -4.362) 7.114 7.940 ( 4.116 3.351 0.810) 5.369 7.961 ( 3.335 1.206 1.066) 3.703 8.339 ( -0.922 2.278 -10.589) 10.870 8.354 ( -6.254 0.653 -11.695) 13.279 9.100 ( 2.768 2.041 3.568) 4.956 9.117 ( -1.303 0.485 1.504) 2.048 9.607 ( -3.871 10.775 12.463) 16.924 9.822 ( -1.377 -8.894 12.067) 15.053 9.932 ( -9.032 6.449 -0.449) 11.107 10.123 ( 0.463 -11.229 2.054) 11.425 10.528 ( 7.868 10.132 -4.922) 13.740 10.575 ( 0.892 6.533 -3.177) 7.319 11.081 ( -1.625 1.275 0.771) 2.205 11.228 ( -1.102 -11.760 1.748) 11.940 12.865 ( -2.299 1.595 1.227) 3.056 12.900 ( -2.751 -2.144 0.576) 3.535 13.105 ( -0.183 0.930 4.184) 4.291 13.119 ( -0.605 -0.471 4.057) 4.129 15.204 ( 2.482 -1.004 -0.909) 2.828 15.262 ( 5.510 -7.255 -1.270) 9.198 15.536 ( 2.344 -0.978 -0.232) 2.550 15.584 ( 7.110 -6.188 0.135) 9.427 16.253 ( -1.185 1.656 -8.039) 8.293 16.280 ( -1.407 -1.207 -8.605) 8.802 16.973 ( -3.525 2.477 1.824) 4.678 17.000 ( 0.234 -0.388 2.606) 2.645 21.129 ( 0.291 -0.047 0.266) 0.397 21.166 ( 0.399 -3.770 -0.346) 3.807 23.216 ( -1.223 1.051 4.714) 4.982 23.241 ( 0.475 -1.514 4.843) 5.097 ======================= Grid point 150 (82/170) ======================= q-point: (-0.36 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -0.840 5.608 -6.206) 8.407 2.156 ( 3.095 -2.604 -4.112) 5.768 2.411 ( 0.652 4.427 -6.906) 8.229 2.498 ( 1.580 -3.686 -3.596) 5.387 2.551 ( -11.075 0.945 0.726) 11.139 2.610 ( -9.346 -4.119 0.804) 10.245 2.853 ( -0.584 1.522 0.953) 1.889 2.959 ( -3.939 -7.357 -3.997) 9.253 3.075 ( 3.589 7.951 9.213) 12.688 3.199 ( 7.315 -1.885 6.004) 9.649 3.334 ( 9.417 3.207 2.477) 10.252 3.441 ( 6.782 -8.221 1.589) 10.775 3.616 ( 5.983 -0.217 -11.740) 13.178 3.648 ( 3.857 -3.771 -6.422) 8.386 3.847 ( 13.654 6.727 -3.182) 15.550 4.046 ( 17.035 -11.419 -4.842) 21.072 4.444 ( 2.588 8.631 -3.224) 9.570 4.655 ( 6.781 -12.009 -0.476) 13.799 5.204 ( -6.521 15.078 3.644) 16.827 5.450 ( -9.893 -8.272 0.136) 12.896 5.548 ( 0.530 2.457 5.155) 5.735 5.621 ( -3.571 -3.025 2.625) 5.366 5.729 ( -3.729 17.799 -6.307) 19.248 6.040 ( -4.256 -13.099 -7.703) 15.781 6.207 ( 6.804 1.901 1.996) 7.341 6.255 ( 4.336 -3.183 5.755) 7.877 6.676 ( -1.205 4.616 -3.734) 6.058 6.750 ( -2.115 -3.126 -2.181) 4.359 7.361 ( 6.442 6.833 -2.893) 9.827 7.496 ( 8.709 -6.515 -0.578) 10.892 7.985 ( -0.030 3.126 -1.790) 3.602 8.009 ( 2.358 2.314 -0.108) 3.305 8.126 ( -7.314 5.934 -8.829) 12.910 8.237 ( 0.227 -3.748 -6.626) 7.616 9.060 ( -5.365 3.003 -0.410) 6.162 9.113 ( -3.934 -2.564 0.512) 4.724 9.661 ( -5.391 9.381 5.897) 12.323 9.763 ( -10.305 5.910 2.965) 12.244 9.880 ( -6.027 0.178 6.174) 8.630 10.077 ( -7.908 -12.586 0.821) 14.887 10.556 ( 6.707 15.718 -3.129) 17.374 10.728 ( 15.091 -3.650 0.788) 15.546 11.083 ( 0.303 3.470 2.210) 4.125 11.246 ( 0.502 -12.528 2.367) 12.759 12.812 ( -6.353 1.704 1.143) 6.677 12.835 ( -6.783 -1.151 1.125) 6.971 13.117 ( -3.287 0.614 2.866) 4.404 13.135 ( -2.580 -0.961 2.992) 4.066 15.275 ( 8.584 3.528 -1.622) 9.421 15.388 ( 10.816 -8.304 -0.483) 13.644 15.652 ( 12.252 1.919 -0.663) 12.419 15.750 ( 12.407 -7.977 0.176) 14.752 16.110 ( -4.722 0.754 -8.142) 9.443 16.133 ( -3.726 -1.858 -9.173) 10.074 16.923 ( -5.078 6.371 2.039) 8.398 17.022 ( -1.248 -3.882 2.895) 5.001 21.152 ( 1.488 0.078 1.117) 1.862 21.182 ( 1.721 -3.047 0.133) 3.502 23.241 ( -2.117 2.651 4.224) 5.418 23.297 ( -0.262 -3.165 4.644) 5.626 ======================= Grid point 151 (83/170) ======================= q-point: (-0.27 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 1.153 12.777 1.039) 12.870 2.195 ( 2.379 3.392 1.117) 4.290 2.369 ( 3.072 1.257 -3.760) 5.015 2.466 ( -2.615 -0.487 2.681) 3.777 2.519 ( 1.785 -5.060 1.358) 5.535 2.558 ( 1.440 -10.675 1.618) 10.892 2.851 ( -1.280 -3.164 -3.821) 5.124 2.862 ( -0.619 -4.157 -0.463) 4.228 3.221 ( 1.010 8.570 9.022) 12.485 3.373 ( 4.775 -4.172 5.737) 8.551 3.435 ( -3.487 1.658 1.932) 4.318 3.516 ( 5.912 4.713 -17.115) 18.711 3.576 ( 6.252 -6.992 4.768) 10.522 3.653 ( 10.489 -6.631 -12.796) 17.825 4.067 ( 18.027 12.119 -3.420) 21.989 4.213 ( 11.450 4.276 -4.680) 13.088 4.555 ( 8.414 1.912 3.395) 9.272 4.762 ( 4.723 -13.057 -0.028) 13.885 5.109 ( -6.942 9.084 1.484) 11.529 5.228 ( -13.271 -2.834 -1.259) 13.628 5.558 ( -4.499 9.651 0.245) 10.651 5.630 ( 0.702 -0.962 5.432) 5.561 5.692 ( 5.781 3.988 -1.746) 7.237 5.907 ( -1.800 -12.106 -7.904) 14.570 6.372 ( 7.599 3.688 5.757) 10.222 6.430 ( 6.534 -2.156 2.808) 7.432 6.569 ( -5.154 4.140 -4.761) 8.147 6.669 ( -2.222 -6.146 -1.203) 6.645 7.455 ( 7.458 11.582 -1.870) 13.902 7.650 ( 8.010 -7.960 1.917) 11.454 7.875 ( -7.239 6.050 -7.482) 12.041 7.946 ( -6.384 -1.527 -1.994) 6.860 8.042 ( 1.087 7.991 -0.874) 8.112 8.194 ( 2.207 -5.818 -4.874) 7.905 8.953 ( -7.903 3.287 1.274) 8.653 9.037 ( -6.676 -5.374 2.486) 8.923 9.531 ( -11.580 14.735 0.209) 18.741 9.679 ( -5.970 3.518 0.298) 6.936 9.797 ( -9.454 -2.025 0.994) 9.719 9.952 ( -7.497 -13.249 2.869) 15.491 10.679 ( 10.216 20.692 -1.809) 23.148 10.970 ( 14.458 -5.938 -1.933) 15.749 11.167 ( 6.619 0.344 3.972) 7.727 11.301 ( 2.112 -11.798 4.731) 12.885 12.685 ( -10.854 2.655 0.521) 11.186 12.713 ( -10.609 -0.403 1.761) 10.762 13.070 ( -5.202 0.607 0.952) 5.323 13.098 ( -4.621 -1.945 0.475) 5.036 15.430 ( 13.034 7.366 -2.230) 15.137 15.571 ( 12.284 -6.450 -1.019) 13.912 15.769 ( -2.272 3.147 -3.203) 5.032 15.827 ( -5.078 -2.290 -2.184) 5.983 16.056 ( 14.591 -0.318 -3.842) 15.092 16.125 ( 15.873 -7.365 -3.620) 17.869 16.867 ( -4.784 8.956 2.212) 10.392 17.023 ( -2.483 -6.813 2.319) 7.613 21.191 ( 1.006 0.769 1.710) 2.128 21.216 ( 1.661 -1.828 0.844) 2.610 23.240 ( -2.762 4.073 2.621) 5.575 23.329 ( -1.143 -5.032 2.969) 5.953 ======================= Grid point 152 (84/170) ======================= q-point: (-0.18 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 3.817 16.042 4.331) 17.050 2.249 ( 3.256 17.175 2.132) 17.611 2.427 ( 5.054 -8.978 -0.262) 10.306 2.490 ( 1.472 -2.622 3.232) 4.415 2.573 ( 1.497 -4.500 3.904) 6.142 2.655 ( 3.419 -13.378 5.550) 14.882 2.788 ( -0.324 1.886 -2.916) 3.487 2.881 ( 2.506 -7.314 -1.458) 7.868 3.217 ( -5.508 1.370 -4.276) 7.106 3.251 ( -3.692 -2.399 -12.327) 13.090 3.510 ( 2.169 8.837 7.577) 11.841 3.562 ( 5.303 3.465 2.375) 6.765 3.650 ( 5.409 -4.945 -9.825) 12.257 3.712 ( 1.648 -9.841 5.841) 11.561 4.295 ( 10.126 14.762 -4.561) 18.473 4.318 ( 9.662 15.311 0.911) 18.127 4.671 ( 1.072 -5.188 0.258) 5.304 4.754 ( -0.650 -7.501 -2.346) 7.886 5.099 ( 0.483 2.312 5.411) 5.904 5.126 ( -2.230 -0.189 6.069) 6.468 5.484 ( -2.649 10.645 -2.829) 11.328 5.665 ( -3.988 -5.729 0.886) 7.036 5.810 ( 9.511 0.167 -3.155) 10.022 5.902 ( 13.093 -6.937 -1.627) 14.906 6.381 ( -5.155 0.996 -3.317) 6.210 6.392 ( -5.072 -0.165 -3.823) 6.354 6.611 ( 8.061 8.596 5.513) 13.010 6.777 ( 7.922 -8.694 5.352) 12.922 7.480 ( -6.366 14.151 -1.124) 15.558 7.694 ( -1.495 7.445 -5.636) 9.457 7.712 ( -8.318 -8.157 -2.255) 11.866 7.806 ( -1.310 -3.698 -2.260) 4.528 8.053 ( 1.286 7.487 -1.723) 7.789 8.194 ( 3.997 -5.077 -5.332) 8.377 8.881 ( -4.462 4.063 4.412) 7.475 8.998 ( -4.166 -6.066 7.460) 10.479 9.326 ( -13.781 9.956 -0.295) 17.004 9.533 ( -13.324 -9.462 -2.297) 16.502 9.686 ( -0.594 11.432 -0.212) 11.449 9.941 ( 0.030 -13.366 4.036) 13.962 10.776 ( 4.716 21.723 -2.437) 22.362 11.149 ( 10.741 -10.821 -1.371) 15.308 11.302 ( 7.502 1.158 -0.746) 7.627 11.453 ( 10.340 -9.105 3.480) 14.210 12.502 ( -12.967 4.636 1.567) 13.860 12.547 ( -12.915 -0.128 2.211) 13.103 12.979 ( -6.141 0.351 -0.989) 6.230 13.009 ( -5.105 -2.699 -1.673) 6.012 15.545 ( -0.227 3.288 -2.791) 4.318 15.570 ( -7.202 0.034 -2.183) 7.526 15.752 ( 6.245 5.266 1.065) 8.238 15.838 ( 11.927 -1.961 0.891) 12.120 16.351 ( 19.969 -2.007 -1.803) 20.151 16.367 ( 16.151 -0.576 -2.187) 16.308 16.837 ( -1.161 6.504 2.153) 6.949 16.996 ( -3.032 -8.207 1.013) 8.807 21.208 ( -0.761 2.475 0.771) 2.702 21.242 ( -0.024 -0.856 0.962) 1.289 23.213 ( -2.724 4.716 0.518) 5.471 23.325 ( -1.695 -6.652 0.430) 6.878 ======================= Grid point 153 (85/170) ======================= q-point: (-0.09 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 2.048 17.203 -1.251) 17.370 2.350 ( 2.871 19.757 2.418) 20.110 2.444 ( 1.561 -7.090 -6.115) 9.492 2.586 ( 0.453 -3.973 7.242) 8.273 2.636 ( 0.785 -5.995 3.746) 7.112 2.732 ( 0.582 -15.269 -0.289) 15.283 2.777 ( 2.261 6.513 -1.585) 7.074 2.881 ( 0.193 -2.586 -0.795) 2.712 3.082 ( -0.188 -3.874 -4.094) 5.639 3.138 ( -0.452 -8.011 -3.570) 8.783 3.500 ( -1.951 2.010 -10.094) 10.476 3.531 ( -0.949 -1.268 -9.884) 10.010 3.761 ( 2.895 2.909 15.611) 16.141 3.820 ( -0.031 -1.557 12.940) 13.034 4.350 ( 1.933 19.549 3.320) 19.923 4.482 ( 6.135 12.941 2.289) 14.504 4.635 ( -2.463 -4.201 1.036) 4.978 4.775 ( 1.015 -7.530 2.508) 8.001 5.151 ( -0.042 4.330 2.510) 5.005 5.230 ( 4.565 -3.228 1.946) 5.920 5.428 ( -1.183 6.853 -0.361) 6.963 5.565 ( -3.864 -6.812 -2.488) 8.217 5.969 ( 10.739 5.166 -1.865) 12.063 6.064 ( 6.941 -3.713 -3.272) 8.524 6.341 ( 2.154 1.738 2.839) 3.965 6.387 ( 5.109 -2.604 5.157) 7.712 6.759 ( 4.950 7.999 1.235) 9.488 6.910 ( 1.873 -7.368 2.230) 7.923 7.255 ( -13.436 10.421 -2.877) 17.245 7.417 ( -18.155 -5.900 -3.759) 19.456 7.728 ( 8.656 8.463 -3.061) 12.487 7.829 ( 1.697 -4.659 0.180) 4.962 8.008 ( -0.644 7.702 -7.545) 10.801 8.187 ( 5.264 -6.230 -8.540) 11.809 8.888 ( -4.224 9.724 5.572) 11.977 9.024 ( -4.724 3.051 5.128) 7.611 9.184 ( -3.508 -5.503 5.957) 8.836 9.281 ( -13.611 -12.276 -1.631) 18.402 9.727 ( 2.790 13.718 1.578) 14.088 9.999 ( 1.030 -14.409 2.847) 14.723 10.798 ( 1.490 22.569 -1.342) 22.657 11.220 ( 1.526 -21.003 -3.095) 21.284 11.453 ( 12.279 9.751 -0.966) 15.709 11.631 ( 11.213 -8.370 -2.742) 14.259 12.329 ( -11.602 4.661 1.273) 12.568 12.370 ( -12.695 0.461 3.506) 13.179 12.875 ( -3.653 1.628 -2.132) 4.532 12.929 ( -2.591 -3.870 -0.926) 4.748 15.471 ( -4.890 1.183 4.432) 6.705 15.489 ( -4.139 -0.604 3.731) 5.605 15.928 ( 10.486 8.251 0.768) 13.365 16.024 ( 8.890 -0.657 0.419) 8.924 16.461 ( 2.378 11.637 -2.481) 12.134 16.622 ( 13.259 -6.007 -2.433) 14.758 16.885 ( 2.563 -0.087 1.631) 3.039 16.971 ( 0.404 -7.097 -0.134) 7.110 21.186 ( -1.626 4.631 -0.940) 4.997 21.233 ( -1.462 -0.082 -0.236) 1.483 23.171 ( -1.756 4.374 -1.506) 4.948 23.289 ( -1.347 -7.570 -2.287) 8.022 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 0.053 0.000 27.947) 27.947 1.333 ( 3.984 0.000 29.918) 30.182 2.196 ( -0.818 0.000 -18.163) 18.181 2.371 ( -2.024 0.000 -17.617) 17.733 2.528 ( -5.233 0.000 49.285) 49.562 2.793 ( 1.047 0.000 -2.779) 2.970 2.901 ( -3.279 0.000 -7.706) 8.375 3.076 ( -2.025 0.000 9.577) 9.789 3.270 ( -1.010 0.000 -0.889) 1.346 3.624 ( 0.975 0.000 -2.431) 2.619 3.685 ( 2.377 0.000 9.391) 9.687 3.725 ( -0.404 0.000 -5.334) 5.349 3.926 ( 6.561 0.000 -8.242) 10.534 4.110 ( 2.516 0.000 -10.069) 10.378 4.153 ( 0.434 0.000 1.129) 1.209 4.244 ( 0.842 0.000 -1.869) 2.050 4.474 ( 9.189 0.000 10.001) 13.582 4.585 ( -15.061 0.000 7.903) 17.008 4.721 ( 6.045 0.000 8.927) 10.781 5.158 ( -8.394 0.000 -9.570) 12.730 5.163 ( 4.647 0.000 9.628) 10.691 5.389 ( 2.501 0.000 8.005) 8.386 5.773 ( -4.546 0.000 -16.765) 17.370 5.883 ( 1.334 0.000 -6.788) 6.918 6.060 ( 1.420 0.000 9.355) 9.462 6.552 ( -1.832 0.000 -10.079) 10.244 6.552 ( -2.090 0.000 7.255) 7.550 6.839 ( -7.215 0.000 -8.734) 11.329 6.970 ( 1.437 0.000 1.770) 2.280 7.051 ( 4.789 0.000 -1.331) 4.971 7.231 ( -1.167 0.000 5.080) 5.212 7.443 ( 4.548 0.000 -5.276) 6.965 8.051 ( 1.089 0.000 16.352) 16.388 8.258 ( -1.760 0.000 2.170) 2.794 8.278 ( 0.829 0.000 0.157) 0.844 8.879 ( -3.034 0.000 7.233) 7.843 8.915 ( -0.917 0.000 -16.165) 16.191 9.233 ( 0.981 0.000 -9.632) 9.682 9.476 ( 2.019 0.000 0.623) 2.113 10.081 ( 0.934 0.000 -20.454) 20.476 11.018 ( -0.110 0.000 16.622) 16.622 11.429 ( 3.493 0.000 1.733) 3.899 11.771 ( -7.520 0.000 3.062) 8.120 12.108 ( 9.809 0.000 -1.660) 9.948 12.170 ( -14.258 0.000 2.926) 14.555 12.445 ( 2.878 0.000 11.440) 11.797 12.567 ( 4.092 0.000 -8.614) 9.536 12.904 ( -1.320 0.000 -9.437) 9.529 15.142 ( -0.299 0.000 2.223) 2.243 15.233 ( -0.763 0.000 -1.811) 1.965 15.758 ( -0.193 0.000 0.548) 0.581 15.787 ( 0.744 0.000 -1.137) 1.359 15.906 ( 1.564 0.000 23.000) 23.053 16.754 ( 0.329 0.000 -13.814) 13.818 17.113 ( -0.679 0.000 1.199) 1.378 17.187 ( 0.852 0.000 -2.680) 2.812 20.839 ( 1.266 0.000 2.521) 2.821 20.934 ( -1.656 0.000 -1.793) 2.441 23.254 ( 0.371 0.000 1.854) 1.891 23.448 ( -0.148 0.000 -6.995) 6.997 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 9.314 0.000 23.710) 25.474 1.766 ( 10.531 0.000 25.463) 27.555 2.018 ( 5.437 0.000 -20.487) 21.196 2.140 ( 3.490 0.000 -23.552) 23.809 2.750 ( -4.203 0.000 -3.527) 5.487 2.784 ( -1.287 0.000 0.318) 1.325 3.022 ( 0.352 0.000 31.546) 31.548 3.181 ( 1.321 0.000 15.515) 15.571 3.192 ( -5.645 0.000 0.017) 5.645 3.606 ( 0.228 0.000 0.247) 0.336 3.622 ( -4.691 0.000 -5.207) 7.009 3.862 ( 5.462 0.000 9.647) 11.085 3.901 ( 7.746 0.000 -15.467) 17.298 4.024 ( 5.437 0.000 -15.724) 16.638 4.055 ( -10.323 0.000 -2.969) 10.741 4.181 ( -8.320 0.000 -4.534) 9.475 4.419 ( -10.145 0.000 3.090) 10.605 4.537 ( -10.575 0.000 9.113) 13.960 4.896 ( -7.528 0.000 -5.339) 9.229 4.946 ( 4.267 0.000 10.272) 11.123 5.384 ( 6.015 0.000 13.951) 15.192 5.508 ( -5.960 0.000 -15.691) 16.785 5.634 ( 11.008 0.000 14.730) 18.389 5.976 ( 18.663 0.000 -17.695) 25.718 6.265 ( 5.936 0.000 8.821) 10.632 6.387 ( 2.324 0.000 -8.458) 8.771 6.710 ( 11.806 0.000 10.228) 15.620 6.758 ( 2.244 0.000 -3.904) 4.503 6.958 ( -1.186 0.000 -1.159) 1.658 7.029 ( -4.612 0.000 -2.709) 5.349 7.207 ( -9.084 0.000 2.380) 9.391 7.449 ( 5.649 0.000 -6.289) 8.454 8.248 ( -1.382 0.000 0.438) 1.450 8.282 ( 0.058 0.000 3.191) 3.191 8.359 ( 7.656 0.000 19.967) 21.385 8.670 ( 0.913 0.000 -22.809) 22.827 8.957 ( 3.481 0.000 8.542) 9.224 9.205 ( 5.676 0.000 -6.886) 8.923 9.520 ( -5.951 0.000 11.009) 12.515 9.782 ( -8.996 0.000 -21.462) 23.271 11.139 ( -4.113 0.000 12.246) 12.919 11.401 ( -4.365 0.000 -11.038) 11.870 11.688 ( -7.825 0.000 13.639) 15.724 11.949 ( -10.793 0.000 -5.040) 11.912 12.386 ( 17.835 0.000 5.481) 18.658 12.611 ( 1.818 0.000 11.557) 11.699 12.625 ( 11.353 0.000 -7.855) 13.806 12.776 ( 0.873 0.000 -11.315) 11.349 15.204 ( 4.408 0.000 2.950) 5.304 15.234 ( 3.631 0.000 -1.944) 4.119 15.769 ( 0.467 0.000 1.373) 1.450 15.771 ( 0.438 0.000 -1.801) 1.854 16.233 ( 7.365 0.000 21.526) 22.751 16.615 ( 4.499 0.000 -17.891) 18.448 17.090 ( -4.032 0.000 1.411) 4.271 17.152 ( -1.954 0.000 -2.329) 3.040 20.918 ( 4.634 0.000 3.291) 5.684 20.925 ( 3.440 0.000 -2.460) 4.229 23.281 ( -0.631 0.000 3.350) 3.409 23.364 ( -1.111 0.000 -6.327) 6.424 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 7.854 0.000 -16.942) 18.674 1.926 ( 7.915 0.000 -6.205) 10.057 2.032 ( 8.259 0.000 2.074) 8.515 2.193 ( 10.680 0.000 19.905) 22.589 2.681 ( -1.905 0.000 -0.275) 1.924 2.749 ( -4.429 0.000 2.351) 5.014 3.110 ( -3.595 0.000 1.043) 3.744 3.151 ( -0.941 0.000 1.173) 1.504 3.418 ( -3.641 0.000 11.876) 12.422 3.464 ( -9.722 0.000 -2.833) 10.126 3.680 ( -12.993 0.000 2.441) 13.220 3.759 ( -13.982 0.000 -4.757) 14.769 3.816 ( -2.445 0.000 5.180) 5.728 3.894 ( 10.771 0.000 -17.980) 20.959 3.991 ( 11.813 0.000 -15.007) 19.099 4.133 ( 8.001 0.000 6.003) 10.003 4.342 ( -0.415 0.000 -3.652) 3.676 4.561 ( 0.962 0.000 10.889) 10.932 4.810 ( -3.079 0.000 1.813) 3.573 5.040 ( -0.356 0.000 1.789) 1.824 5.266 ( -5.609 0.000 -10.688) 12.070 5.631 ( 3.763 0.000 15.956) 16.394 5.912 ( 8.541 0.000 -24.257) 25.717 5.955 ( 4.287 0.000 14.912) 15.516 6.405 ( 5.206 0.000 5.541) 7.603 6.509 ( 9.306 0.000 -2.611) 9.665 6.739 ( 0.304 0.000 -2.146) 2.168 6.892 ( -1.114 0.000 0.525) 1.231 6.967 ( 3.287 0.000 -0.143) 3.290 6.986 ( -14.843 0.000 -0.295) 14.846 7.166 ( 17.634 0.000 10.466) 20.506 7.463 ( 6.849 0.000 -10.058) 12.169 8.229 ( -0.975 0.000 -0.211) 0.998 8.289 ( -1.574 0.000 1.289) 2.035 8.477 ( 4.455 0.000 -19.951) 20.443 8.631 ( -1.111 0.000 12.839) 12.887 9.250 ( 15.141 0.000 16.351) 22.284 9.250 ( 8.629 0.000 -5.118) 10.033 9.412 ( -6.195 0.000 -15.169) 16.385 9.536 ( -9.160 0.000 14.111) 16.823 11.122 ( -10.752 0.000 -13.858) 17.540 11.159 ( -7.668 0.000 7.544) 10.757 11.727 ( -7.799 0.000 -7.554) 10.858 11.787 ( -2.767 0.000 14.121) 14.389 12.597 ( 1.402 0.000 -11.143) 11.231 12.721 ( 13.649 0.000 6.193) 14.988 12.756 ( 3.052 0.000 10.027) 10.481 12.805 ( 12.658 0.000 -6.560) 14.257 15.303 ( 7.631 0.000 -1.700) 7.818 15.339 ( 8.268 0.000 3.008) 8.798 15.781 ( 3.875 0.000 -2.242) 4.477 15.802 ( 2.873 0.000 -0.301) 2.888 16.508 ( 7.755 0.000 -18.687) 20.233 16.568 ( 6.987 0.000 16.742) 18.142 17.022 ( -6.925 0.000 2.271) 7.288 17.072 ( -4.887 0.000 -2.405) 5.446 20.985 ( 7.600 0.000 -2.599) 8.032 21.050 ( 6.645 0.000 3.996) 7.754 23.280 ( -1.685 0.000 -4.599) 4.898 23.305 ( -2.024 0.000 4.821) 5.229 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 11.702 0.000 -12.446) 17.083 1.911 ( 13.429 0.000 -16.858) 21.553 2.275 ( 5.319 0.000 12.436) 13.526 2.509 ( 5.114 0.000 12.710) 13.700 2.672 ( -1.452 0.000 2.787) 3.142 2.715 ( -5.865 0.000 6.340) 8.636 3.009 ( -9.111 0.000 -2.849) 9.546 3.101 ( -10.207 0.000 0.971) 10.253 3.160 ( -18.214 0.000 -8.762) 20.212 3.298 ( -8.031 0.000 2.201) 8.327 3.513 ( -6.641 0.000 -7.238) 9.823 3.537 ( -7.651 0.000 10.968) 13.373 3.906 ( 12.645 0.000 -15.335) 19.876 4.017 ( 7.654 0.000 0.961) 7.714 4.083 ( 20.885 0.000 -14.002) 25.145 4.282 ( 5.045 0.000 2.922) 5.830 4.325 ( 5.620 0.000 -5.990) 8.214 4.740 ( 1.820 0.000 2.670) 3.232 4.823 ( 4.915 0.000 5.077) 7.066 4.986 ( -3.048 0.000 -6.264) 6.966 5.117 ( -2.628 0.000 -2.850) 3.877 5.823 ( -2.426 0.000 13.922) 14.131 5.855 ( 10.994 0.000 -12.061) 16.320 6.033 ( -3.649 0.000 4.570) 5.848 6.465 ( -4.108 0.000 -1.375) 4.332 6.551 ( -7.201 0.000 5.794) 9.243 6.733 ( -1.416 0.000 -1.674) 2.193 6.762 ( -1.552 0.000 1.055) 1.877 6.900 ( -0.669 0.000 0.973) 1.181 7.106 ( 9.520 0.000 0.128) 9.521 7.454 ( 8.985 0.000 -12.065) 15.044 7.524 ( 9.159 0.000 11.277) 14.528 8.217 ( -0.548 0.000 0.320) 0.634 8.254 ( -3.182 0.000 -0.320) 3.198 8.371 ( 7.612 0.000 -16.042) 17.756 8.628 ( -6.098 0.000 3.009) 6.800 9.301 ( 3.958 0.000 1.540) 4.247 9.365 ( 9.852 0.000 -1.207) 9.926 9.555 ( -6.889 0.000 12.893) 14.618 9.750 ( 18.727 0.000 15.195) 24.116 10.796 ( -9.823 0.000 -14.285) 17.337 11.051 ( -12.531 0.000 2.105) 12.707 11.567 ( -1.324 0.000 -7.787) 7.899 11.824 ( -9.143 0.000 6.879) 11.442 12.560 ( 6.546 0.000 -4.567) 7.982 12.847 ( -1.972 0.000 9.747) 9.944 12.931 ( 10.287 0.000 -4.264) 11.136 13.005 ( 11.382 0.000 3.991) 12.061 15.430 ( 10.492 0.000 -1.528) 10.603 15.517 ( 9.910 0.000 2.435) 10.205 15.849 ( 8.002 0.000 -2.230) 8.307 15.850 ( 5.076 0.000 -2.325) 5.583 16.450 ( 9.471 0.000 -16.589) 19.102 16.761 ( -1.007 0.000 6.016) 6.100 16.947 ( -7.071 0.000 -2.785) 7.599 16.952 ( -5.872 0.000 6.024) 8.412 21.101 ( 9.783 0.000 -1.688) 9.927 21.202 ( 6.386 0.000 4.153) 7.618 23.218 ( -1.227 0.000 -2.036) 2.377 23.322 ( -3.491 0.000 5.935) 6.886 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 12.905 0.000 -10.401) 16.574 1.994 ( 15.132 0.000 -9.746) 17.999 2.396 ( -6.527 0.000 5.469) 8.516 2.597 ( -2.316 0.000 -0.194) 2.324 2.657 ( -4.823 0.000 3.762) 6.117 2.695 ( -7.049 0.000 7.769) 10.490 2.807 ( -1.490 0.000 -1.046) 1.820 2.906 ( -16.292 0.000 5.991) 17.359 2.987 ( -1.001 0.000 -4.089) 4.210 3.236 ( -5.143 0.000 1.835) 5.461 3.426 ( 2.816 0.000 -3.192) 4.257 3.484 ( -10.399 0.000 2.844) 10.781 3.928 ( 6.813 0.000 -8.792) 11.123 4.043 ( 2.994 0.000 -7.034) 7.645 4.341 ( 26.450 0.000 -8.685) 27.840 4.391 ( 12.606 0.000 -8.244) 15.062 4.400 ( 3.787 0.000 3.677) 5.279 4.687 ( -1.017 0.000 -5.796) 5.885 4.825 ( -4.540 0.000 -10.670) 11.595 4.924 ( 0.146 0.000 2.206) 2.210 5.153 ( 3.086 0.000 4.054) 5.095 5.804 ( -9.613 0.000 4.389) 10.567 5.939 ( 8.336 0.000 -4.178) 9.324 6.080 ( 0.747 0.000 4.900) 4.956 6.320 ( -14.369 0.000 -0.812) 14.392 6.482 ( -0.428 0.000 6.141) 6.156 6.705 ( -3.446 0.000 3.837) 5.157 6.783 ( 5.851 0.000 -11.020) 12.477 6.962 ( -2.749 0.000 16.032) 16.266 7.148 ( 1.151 0.000 -7.475) 7.563 7.525 ( 12.129 0.000 -6.550) 13.785 7.688 ( -1.599 0.000 8.888) 9.030 8.213 ( -1.604 0.000 0.132) 1.609 8.222 ( 1.463 0.000 -0.636) 1.596 8.374 ( 10.948 0.000 -9.738) 14.652 8.601 ( -2.757 0.000 5.071) 5.772 9.422 ( 4.984 0.000 1.816) 5.305 9.481 ( -3.959 0.000 11.027) 11.716 9.620 ( 5.434 0.000 0.712) 5.480 10.065 ( 5.124 0.000 2.122) 5.546 10.593 ( 2.154 0.000 -4.377) 4.878 10.861 ( -10.736 0.000 -0.169) 10.737 11.502 ( 3.356 0.000 -7.850) 8.538 11.659 ( -13.911 0.000 -1.535) 13.995 12.691 ( 8.852 0.000 4.061) 9.739 12.898 ( -4.457 0.000 8.670) 9.748 13.028 ( 7.115 0.000 -3.147) 7.780 13.168 ( 5.232 0.000 1.632) 5.480 15.589 ( 11.446 0.000 -1.703) 11.572 15.683 ( 7.809 0.000 1.461) 7.944 15.907 ( 5.067 0.000 -2.142) 5.502 15.979 ( 10.581 0.000 -1.557) 10.695 16.437 ( 9.012 0.000 -12.384) 15.316 16.695 ( -8.355 0.000 0.680) 8.382 16.803 ( -6.086 0.000 -3.518) 7.030 16.938 ( -5.815 0.000 3.309) 6.691 21.244 ( 9.279 0.000 -0.306) 9.284 21.323 ( 3.102 0.000 3.660) 4.797 23.206 ( 0.838 0.000 0.749) 1.124 23.324 ( -4.661 0.000 6.047) 7.635 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 12.947 0.000 -6.001) 14.270 2.140 ( 9.708 0.000 -2.744) 10.088 2.226 ( -11.299 0.000 -1.636) 11.417 2.485 ( -4.705 0.000 -7.219) 8.617 2.635 ( -6.527 0.000 -1.081) 6.616 2.747 ( 5.738 0.000 4.343) 7.196 2.777 ( -12.290 0.000 13.688) 18.396 2.814 ( 0.794 0.000 0.236) 0.828 2.993 ( 5.400 0.000 -0.801) 5.459 3.156 ( -6.342 0.000 0.742) 6.386 3.309 ( -6.828 0.000 -4.763) 8.325 3.459 ( 3.988 0.000 -5.616) 6.888 3.931 ( 3.194 0.000 -3.964) 5.091 4.016 ( 1.349 0.000 -4.605) 4.798 4.432 ( -2.712 0.000 1.287) 3.002 4.484 ( 8.378 0.000 -4.062) 9.311 4.598 ( -3.777 0.000 -4.873) 6.165 4.621 ( 1.749 0.000 -10.855) 10.995 4.732 ( 21.612 0.000 -3.584) 21.907 4.948 ( -3.936 0.000 3.009) 4.954 5.207 ( -1.214 0.000 6.682) 6.791 5.696 ( -6.587 0.000 -0.818) 6.637 6.018 ( 7.262 0.000 -2.404) 7.650 6.063 ( -6.894 0.000 2.107) 7.209 6.192 ( -2.185 0.000 0.888) 2.359 6.392 ( -8.626 0.000 -1.485) 8.753 6.749 ( 5.489 0.000 -8.599) 10.201 6.902 ( 8.870 0.000 7.019) 11.311 7.052 ( -0.330 0.000 -1.872) 1.901 7.075 ( -6.995 0.000 17.319) 18.678 7.639 ( 9.992 0.000 -5.315) 11.317 7.684 ( -7.485 0.000 3.123) 8.110 8.190 ( -2.010 0.000 0.245) 2.024 8.248 ( 3.910 0.000 -2.501) 4.642 8.497 ( 13.445 0.000 -3.255) 13.834 8.623 ( -2.919 0.000 4.237) 5.145 9.429 ( -2.763 0.000 -1.701) 3.244 9.477 ( -13.616 0.000 13.419) 19.118 9.685 ( 5.044 0.000 -5.010) 7.109 10.042 ( 1.385 0.000 -6.743) 6.884 10.728 ( 8.626 0.000 3.961) 9.492 10.761 ( -3.846 0.000 2.987) 4.869 11.404 ( -13.257 0.000 -3.324) 13.668 11.493 ( 7.624 0.000 -9.160) 11.918 12.886 ( 7.156 0.000 7.151) 10.117 12.899 ( -6.913 0.000 7.940) 10.528 13.089 ( 5.083 0.000 -2.915) 5.859 13.205 ( -0.780 0.000 -1.032) 1.293 15.733 ( 8.461 0.000 -1.667) 8.624 15.768 ( 0.688 0.000 0.353) 0.774 15.949 ( 1.133 0.000 -0.003) 1.133 16.111 ( 7.548 0.000 -2.518) 7.957 16.459 ( 6.493 0.000 -5.560) 8.548 16.576 ( -5.895 0.000 -0.260) 5.901 16.721 ( 2.860 0.000 -4.379) 5.230 16.811 ( -10.794 0.000 -1.863) 10.954 21.368 ( -2.245 0.000 3.015) 3.759 21.369 ( 5.963 0.000 0.498) 5.984 23.262 ( 3.753 0.000 2.577) 4.553 23.307 ( -5.036 0.000 4.744) 6.918 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -21.862 0.000 -4.225) 22.266 2.149 ( -6.161 0.000 -4.097) 7.399 2.291 ( 9.526 0.000 -1.931) 9.720 2.410 ( 8.426 0.000 -0.537) 8.443 2.540 ( 1.910 0.000 -5.717) 6.028 2.774 ( 7.886 0.000 -4.793) 9.229 2.783 ( -6.279 0.000 12.026) 13.567 3.029 ( 10.484 0.000 11.782) 15.771 3.065 ( -6.199 0.000 0.758) 6.245 3.088 ( 6.222 0.000 -0.151) 6.224 3.235 ( 1.616 0.000 -2.103) 2.652 3.363 ( 0.380 0.000 -16.822) 16.826 3.941 ( -6.206 0.000 -3.997) 7.382 3.971 ( 3.557 0.000 1.364) 3.810 4.339 ( -11.781 0.000 -0.036) 11.781 4.492 ( -3.754 0.000 -1.607) 4.083 4.515 ( 0.885 0.000 -0.932) 1.285 4.572 ( 6.652 0.000 -5.381) 8.556 4.716 ( -23.264 0.000 -2.674) 23.418 5.021 ( 12.692 0.000 0.122) 12.693 5.380 ( 7.707 0.000 12.870) 15.001 5.544 ( -8.752 0.000 -5.960) 10.589 5.988 ( -4.470 0.000 -0.040) 4.470 6.127 ( 9.047 0.000 -1.421) 9.158 6.253 ( 8.470 0.000 3.547) 9.182 6.288 ( -1.085 0.000 -3.030) 3.219 6.761 ( 2.654 0.000 -2.465) 3.622 6.818 ( -4.124 0.000 -10.535) 11.313 7.131 ( -8.611 0.000 15.388) 17.633 7.286 ( 6.531 0.000 14.254) 15.679 7.513 ( -12.970 0.000 -5.082) 13.930 7.724 ( 8.854 0.000 -5.548) 10.449 8.153 ( -2.346 0.000 -0.546) 2.409 8.281 ( 4.148 0.000 -3.451) 5.396 8.535 ( -9.994 0.000 -1.901) 10.173 8.702 ( 14.271 0.000 -0.875) 14.298 9.359 ( -13.927 0.000 6.757) 15.479 9.413 ( -0.489 0.000 4.665) 4.691 9.700 ( 0.034 0.000 2.207) 2.207 10.008 ( 3.545 0.000 -5.663) 6.681 10.752 ( -3.783 0.000 2.858) 4.741 10.808 ( -2.299 0.000 -2.048) 3.079 11.257 ( -1.206 0.000 1.183) 1.689 11.553 ( 12.748 0.000 -8.653) 15.408 12.858 ( -9.078 0.000 7.547) 11.806 13.050 ( 3.286 0.000 6.850) 7.597 13.128 ( 4.082 0.000 -2.896) 5.004 13.130 ( -5.324 0.000 -3.169) 6.196 15.698 ( -8.645 0.000 -0.784) 8.681 15.788 ( -0.567 0.000 -0.673) 0.880 15.927 ( -5.097 0.000 1.596) 5.341 16.126 ( -0.579 0.000 -4.707) 4.742 16.485 ( -7.496 0.000 -4.721) 8.858 16.536 ( 8.136 0.000 -0.775) 8.172 16.636 ( -3.651 0.000 0.297) 3.663 16.806 ( 11.289 0.000 -2.476) 11.557 21.323 ( -7.171 0.000 2.632) 7.639 21.429 ( 0.609 0.000 0.606) 0.859 23.274 ( -4.118 0.000 2.538) 4.837 23.368 ( 5.590 0.000 2.481) 6.116 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -26.884 0.000 0.455) 26.888 1.877 ( -18.766 0.000 -4.286) 19.250 2.418 ( 6.940 0.000 1.153) 7.035 2.595 ( 9.990 0.000 0.336) 9.996 2.656 ( 16.278 0.000 0.929) 16.305 2.825 ( -2.364 0.000 6.341) 6.767 2.898 ( 9.758 0.000 -2.626) 10.105 2.977 ( -5.360 0.000 0.953) 5.445 3.168 ( 0.075 0.000 3.063) 3.064 3.193 ( 2.901 0.000 -13.325) 13.637 3.258 ( 6.469 0.000 -1.644) 6.675 3.316 ( 8.754 0.000 4.890) 10.027 3.707 ( -19.986 0.000 -1.187) 20.022 4.040 ( 3.345 0.000 0.080) 3.345 4.107 ( -14.350 0.000 -1.563) 14.435 4.318 ( -18.556 0.000 -0.367) 18.559 4.438 ( -2.496 0.000 1.030) 2.700 4.596 ( 1.129 0.000 -2.607) 2.841 4.603 ( 7.984 0.000 1.580) 8.138 5.105 ( -1.717 0.000 0.096) 1.720 5.309 ( -10.570 0.000 -6.932) 12.640 5.674 ( 11.593 0.000 11.827) 16.561 5.912 ( -4.440 0.000 -1.109) 4.576 6.222 ( 2.947 0.000 -1.939) 3.528 6.299 ( 6.987 0.000 -2.515) 7.426 6.508 ( 15.655 0.000 3.914) 16.137 6.654 ( -2.648 0.000 -7.277) 7.744 6.754 ( -5.091 0.000 4.200) 6.600 7.124 ( -9.771 0.000 2.425) 10.067 7.202 ( -14.567 0.000 -2.777) 14.829 7.434 ( -0.126 0.000 2.813) 2.816 7.798 ( 5.051 0.000 -2.390) 5.588 8.108 ( -2.312 0.000 -1.214) 2.611 8.295 ( 2.448 0.000 -3.861) 4.571 8.336 ( -10.618 0.000 -1.429) 10.714 8.867 ( 8.893 0.000 -5.290) 10.347 9.261 ( -7.554 0.000 8.973) 11.729 9.391 ( -11.996 0.000 4.145) 12.692 9.769 ( 2.128 0.000 9.142) 9.386 10.102 ( 16.126 0.000 -3.912) 16.594 10.663 ( -8.092 0.000 -2.437) 8.451 10.690 ( -5.637 0.000 -1.376) 5.802 11.343 ( 6.671 0.000 2.253) 7.041 11.694 ( 14.393 0.000 -5.604) 15.445 12.778 ( -10.779 0.000 5.778) 12.230 12.990 ( -7.079 0.000 -3.105) 7.730 13.125 ( 0.526 0.000 1.598) 1.682 13.152 ( 0.580 0.000 -0.275) 0.642 15.517 ( -12.378 0.000 -0.180) 12.379 15.707 ( -8.579 0.000 0.439) 8.590 15.834 ( -9.305 0.000 2.448) 9.621 16.009 ( -6.085 0.000 -5.947) 8.509 16.239 ( -13.597 0.000 -4.168) 14.221 16.679 ( 9.323 0.000 0.576) 9.341 16.714 ( 8.251 0.000 1.374) 8.364 16.972 ( 10.795 0.000 -0.592) 10.811 21.212 ( -9.923 0.000 2.204) 10.164 21.399 ( -4.967 0.000 0.383) 4.982 23.240 ( -2.203 0.000 0.508) 2.261 23.475 ( 5.477 0.000 0.591) 5.509 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -23.859 0.000 17.610) 29.654 1.505 ( -24.744 0.000 0.291) 24.746 2.505 ( -5.101 0.000 6.922) 8.599 2.739 ( 1.334 0.000 -8.332) 8.438 2.807 ( 5.182 0.000 0.206) 5.186 2.867 ( -18.829 0.000 3.035) 19.072 2.899 ( 15.953 0.000 0.676) 15.967 2.999 ( 6.436 0.000 -1.008) 6.515 3.109 ( -2.147 0.000 -2.456) 3.262 3.273 ( 7.979 0.000 13.372) 15.572 3.299 ( -0.401 0.000 -6.782) 6.794 3.417 ( -6.407 0.000 8.865) 10.938 3.471 ( 6.056 0.000 -5.639) 8.275 3.891 ( -11.289 0.000 0.115) 11.290 4.062 ( 2.298 0.000 -4.370) 4.937 4.216 ( 1.474 0.000 1.853) 2.368 4.422 ( -2.157 0.000 0.567) 2.230 4.549 ( -3.323 0.000 -0.873) 3.436 4.786 ( 12.898 0.000 1.326) 12.966 4.996 ( -8.820 0.000 -2.757) 9.241 5.109 ( -8.323 0.000 -1.208) 8.410 5.812 ( -6.992 0.000 -1.797) 7.219 5.991 ( 13.629 0.000 8.825) 16.237 6.232 ( 0.658 0.000 0.849) 1.074 6.350 ( 1.077 0.000 -1.327) 1.709 6.615 ( -11.035 0.000 -1.298) 11.111 6.635 ( 7.575 0.000 -2.615) 8.014 6.716 ( -6.210 0.000 2.156) 6.573 6.935 ( 1.230 0.000 1.098) 1.649 7.099 ( -8.315 0.000 4.604) 9.505 7.372 ( -2.889 0.000 -8.097) 8.597 7.776 ( -5.533 0.000 -2.492) 6.069 8.035 ( -6.196 0.000 -0.002) 6.196 8.222 ( -2.993 0.000 0.818) 3.102 8.271 ( -0.257 0.000 -3.194) 3.205 8.878 ( 3.629 0.000 -7.173) 8.039 9.171 ( -18.523 0.000 4.050) 18.961 9.294 ( -2.238 0.000 7.664) 7.984 9.985 ( 8.868 0.000 12.255) 15.127 10.285 ( 16.861 0.000 -17.801) 24.519 10.453 ( -11.512 0.000 -6.014) 12.988 10.738 ( 5.653 0.000 13.974) 15.074 11.472 ( 7.714 0.000 0.210) 7.717 11.864 ( 12.319 0.000 -1.988) 12.478 12.636 ( -11.313 0.000 0.232) 11.315 12.859 ( -7.116 0.000 -1.071) 7.196 13.108 ( -5.778 0.000 -1.010) 5.866 13.125 ( 0.059 0.000 -1.920) 1.921 15.338 ( -11.020 0.000 2.105) 11.219 15.560 ( -10.118 0.000 0.461) 10.128 15.703 ( -11.321 0.000 4.612) 12.224 15.828 ( -8.445 0.000 -4.747) 9.687 16.014 ( -11.310 0.000 -0.389) 11.316 16.822 ( 7.476 0.000 0.585) 7.499 16.868 ( 8.700 0.000 1.322) 8.800 17.109 ( 7.339 0.000 -0.951) 7.401 21.070 ( -10.213 0.000 1.251) 10.289 21.291 ( -8.562 0.000 0.004) 8.562 23.219 ( -0.352 0.000 -0.512) 0.621 23.543 ( 4.075 0.000 -2.196) 4.629 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -17.748 0.000 25.455) 31.031 1.158 ( -25.294 0.000 11.770) 27.899 2.237 ( -44.229 0.000 30.060) 53.477 2.605 ( -4.866 0.000 -7.486) 8.928 2.747 ( 0.696 0.000 -1.122) 1.320 2.854 ( 5.026 0.000 -7.241) 8.815 3.023 ( -3.948 0.000 -6.796) 7.859 3.075 ( 10.030 0.000 -2.354) 10.303 3.186 ( -2.610 0.000 -5.395) 5.994 3.283 ( 21.968 0.000 5.577) 22.665 3.436 ( -0.824 0.000 9.188) 9.225 3.589 ( 7.262 0.000 -0.822) 7.308 3.611 ( 7.763 0.000 20.151) 21.594 3.806 ( -0.702 0.000 5.725) 5.768 4.023 ( 2.299 0.000 -8.365) 8.675 4.262 ( 5.029 0.000 -5.542) 7.484 4.329 ( -4.995 0.000 -5.156) 7.179 4.550 ( -0.540 0.000 6.297) 6.320 4.818 ( -9.589 0.000 -1.905) 9.777 5.019 ( 14.349 0.000 0.776) 14.370 5.023 ( -3.729 0.000 2.541) 4.513 5.626 ( -12.222 0.000 -4.161) 12.911 6.159 ( -0.541 0.000 -4.371) 4.405 6.344 ( -7.962 0.000 6.939) 10.562 6.347 ( 16.259 0.000 -0.576) 16.269 6.374 ( -17.071 0.000 1.965) 17.184 6.602 ( -9.937 0.000 4.716) 11.000 6.801 ( 12.357 0.000 3.348) 12.803 6.908 ( -7.697 0.000 2.113) 7.982 7.136 ( 4.606 0.000 3.112) 5.558 7.220 ( 1.386 0.000 -11.912) 11.993 7.561 ( -15.353 0.000 -6.097) 16.519 7.949 ( -6.676 0.000 4.443) 8.019 8.227 ( 1.442 0.000 0.667) 1.589 8.241 ( -1.135 0.000 1.171) 1.631 8.869 ( 4.209 0.000 -4.595) 6.231 8.967 ( -13.450 0.000 5.882) 14.679 9.326 ( 0.693 0.000 0.024) 0.694 10.032 ( -8.314 0.000 -17.167) 19.074 10.279 ( 11.213 0.000 -19.761) 22.721 10.418 ( 5.454 0.000 19.357) 20.111 11.061 ( 11.428 0.000 13.314) 17.546 11.596 ( 9.095 0.000 -1.100) 9.161 12.037 ( 9.875 0.000 1.761) 10.031 12.440 ( -10.347 0.000 -4.589) 11.319 12.689 ( -12.790 0.000 -3.937) 13.382 12.948 ( -10.773 0.000 -3.695) 11.389 13.088 ( -0.391 0.000 -4.470) 4.487 15.228 ( -6.932 0.000 3.082) 7.587 15.411 ( -8.528 0.000 -0.250) 8.532 15.618 ( -8.011 0.000 9.113) 12.134 15.690 ( -4.980 0.000 2.179) 5.435 15.874 ( -8.631 0.000 2.908) 9.108 16.912 ( 3.823 0.000 -1.344) 4.052 17.001 ( 6.104 0.000 1.235) 6.228 17.177 ( 4.286 0.000 -3.111) 5.296 20.928 ( -8.477 0.000 0.304) 8.482 21.146 ( -8.944 0.000 -0.497) 8.958 23.217 ( 0.687 0.000 -0.388) 0.789 23.554 ( 2.400 0.000 -4.825) 5.389 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -12.169 0.000 26.862) 29.490 1.089 ( -17.795 0.000 24.067) 29.932 2.134 ( -24.280 0.000 52.718) 58.040 2.418 ( -5.355 0.000 -11.823) 12.979 2.636 ( -3.518 0.000 -15.546) 15.939 2.824 ( 2.176 0.000 -7.083) 7.409 2.955 ( 1.676 0.000 -1.252) 2.092 3.090 ( -5.296 0.000 -1.076) 5.404 3.214 ( 9.001 0.000 -1.662) 9.153 3.550 ( -1.398 0.000 12.192) 12.272 3.638 ( 3.430 0.000 -3.695) 5.041 3.657 ( 13.186 0.000 5.552) 14.308 3.867 ( 2.089 0.000 7.813) 8.087 4.015 ( 11.062 0.000 -5.476) 12.343 4.076 ( 17.324 0.000 14.584) 22.645 4.204 ( -3.584 0.000 -4.568) 5.807 4.259 ( 4.213 0.000 -6.701) 7.916 4.625 ( -3.069 0.000 9.723) 10.195 4.682 ( -4.915 0.000 -0.569) 4.948 5.041 ( 0.065 0.000 5.920) 5.920 5.209 ( 9.525 0.000 -3.396) 10.112 5.405 ( -8.652 0.000 -1.619) 8.803 6.025 ( -3.728 0.000 -11.973) 12.540 6.118 ( -18.469 0.000 -6.070) 19.440 6.120 ( -18.150 0.000 6.016) 19.121 6.548 ( -5.939 0.000 6.684) 8.942 6.560 ( 10.451 0.000 -3.863) 11.142 6.885 ( 1.383 0.000 4.289) 4.507 6.952 ( 2.559 0.000 2.054) 3.282 7.193 ( -17.321 0.000 -10.696) 20.357 7.201 ( -0.033 0.000 2.643) 2.643 7.324 ( 17.968 0.000 -4.375) 18.493 7.941 ( -3.912 0.000 9.404) 10.186 8.257 ( -1.828 0.000 3.910) 4.317 8.259 ( 1.562 0.000 0.199) 1.575 8.879 ( -7.198 0.000 7.010) 10.048 8.932 ( 7.065 0.000 -1.028) 7.140 9.319 ( 2.126 0.000 -5.204) 5.621 9.636 ( -9.343 0.000 -21.563) 23.500 10.220 ( 8.161 0.000 -19.296) 20.951 10.759 ( 7.070 0.000 19.678) 20.909 11.313 ( 5.698 0.000 7.408) 9.346 11.736 ( 8.014 0.000 0.213) 8.017 12.139 ( -1.599 0.000 -7.916) 8.076 12.274 ( -2.355 0.000 7.494) 7.856 12.410 ( -16.862 0.000 1.943) 16.974 12.715 ( -9.794 0.000 -6.945) 12.006 13.014 ( -1.034 0.000 -6.897) 6.974 15.163 ( -4.336 0.000 1.284) 4.522 15.295 ( -5.026 0.000 -1.158) 5.157 15.671 ( -0.382 0.000 12.473) 12.479 15.737 ( 3.537 0.000 3.755) 5.159 15.801 ( -7.310 0.000 6.841) 10.011 16.887 ( -0.900 0.000 -7.565) 7.619 17.084 ( 2.733 0.000 1.179) 2.977 17.191 ( 2.796 0.000 -3.650) 4.598 20.834 ( -3.952 0.000 1.470) 4.217 21.014 ( -6.278 0.000 -1.097) 6.374 23.230 ( 0.856 0.000 0.527) 1.005 23.517 ( 1.000 0.000 -6.499) 6.575 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -0.842 13.187 23.115) 26.625 1.516 ( 0.174 14.486 25.960) 29.728 2.246 ( -1.401 4.976 -18.219) 18.938 2.442 ( 0.207 4.777 -17.592) 18.230 2.683 ( -2.919 13.974 33.733) 36.629 2.825 ( -0.055 5.279 7.290) 9.001 2.915 ( -1.413 2.534 -5.630) 6.333 2.992 ( -1.434 -7.718 7.676) 10.979 3.234 ( -0.391 -4.226 -3.240) 5.340 3.535 ( 0.768 -8.103 -1.559) 8.287 3.576 ( 0.987 -9.956 8.969) 13.437 3.684 ( -0.530 -4.897 -5.385) 7.297 3.922 ( 2.650 -2.913 -8.045) 8.957 4.045 ( 5.416 -3.980 -4.238) 7.946 4.183 ( 1.129 3.970 5.424) 6.815 4.334 ( 0.914 8.158 -2.268) 8.517 4.473 ( 4.111 2.492 12.907) 13.773 4.607 ( -10.505 2.523 3.756) 11.438 4.720 ( 4.082 0.748 5.533) 6.917 5.075 ( -4.781 -3.585 -1.743) 6.225 5.254 ( 1.394 4.524 2.893) 5.548 5.448 ( 1.984 4.735 2.229) 5.597 5.826 ( -3.767 3.407 -11.049) 12.160 5.959 ( 4.582 8.318 -5.563) 11.006 6.122 ( -3.137 6.538 5.907) 9.353 6.524 ( -1.557 -3.001 3.618) 4.952 6.561 ( 2.415 1.888 -3.893) 4.955 6.840 ( -7.699 0.367 -8.376) 11.383 7.067 ( 3.130 5.560 7.542) 9.879 7.212 ( -4.536 12.992 -0.061) 13.761 7.250 ( 9.428 6.758 3.207) 12.035 7.415 ( 2.710 -1.799 -2.707) 4.232 8.150 ( 1.204 3.347 8.372) 9.096 8.186 ( 1.918 -3.636 5.036) 6.501 8.408 ( -5.594 12.962 -6.767) 15.655 8.806 ( -4.850 -3.790 -4.511) 7.631 8.978 ( 1.374 2.822 -4.996) 5.900 9.241 ( 1.539 0.721 -9.858) 10.003 9.481 ( 1.771 0.853 3.245) 3.793 10.088 ( -0.462 0.867 -19.285) 19.310 10.970 ( -0.734 -4.836 16.688) 17.390 11.404 ( 3.338 -2.573 0.613) 4.259 11.730 ( -3.941 -3.415 3.145) 6.089 12.064 ( 8.181 -4.328 -1.394) 9.360 12.151 ( -13.995 -2.023 4.277) 14.773 12.431 ( 1.756 -1.116 8.432) 8.685 12.607 ( 4.890 3.475 -5.907) 8.419 12.909 ( -1.258 0.438 -8.668) 8.770 15.242 ( 1.119 10.379 2.912) 10.838 15.365 ( -1.924 11.262 -3.509) 11.952 15.775 ( 0.563 1.840 0.975) 2.157 15.824 ( 0.802 3.784 -1.508) 4.151 15.914 ( 0.766 0.994 23.225) 23.258 16.762 ( 0.400 0.694 -13.880) 13.903 17.091 ( 0.066 -2.236 1.398) 2.638 17.175 ( 0.400 -1.404 -2.861) 3.212 20.806 ( 0.552 -1.558 3.351) 3.736 20.951 ( -1.685 1.484 -2.861) 3.636 23.231 ( 0.255 -2.354 1.822) 2.987 23.428 ( -0.072 -2.155 -7.125) 7.444 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 8.473 7.930 21.970) 24.847 1.847 ( 6.418 6.441 23.381) 25.086 2.052 ( 3.844 4.059 -18.602) 19.423 2.267 ( 4.972 9.960 -21.325) 24.056 2.763 ( -1.939 -0.572 -0.463) 2.074 2.775 ( -3.060 2.379 -2.311) 4.512 3.025 ( -3.536 -5.964 9.525) 11.781 3.124 ( -5.824 -2.910 2.488) 6.970 3.267 ( 4.238 9.898 24.854) 27.086 3.534 ( 1.177 -6.382 0.659) 6.523 3.557 ( -4.870 -7.132 -3.599) 9.356 3.747 ( 5.366 -9.246 5.120) 11.853 3.873 ( 3.736 -7.055 -5.995) 9.984 4.016 ( 7.220 3.036 -16.143) 17.943 4.125 ( -11.341 8.209 0.176) 14.001 4.242 ( -10.840 5.896 -4.205) 13.037 4.462 ( -7.937 4.369 4.383) 10.064 4.579 ( -3.729 3.836 5.821) 7.906 4.848 ( -6.077 -2.345 -1.904) 6.787 4.954 ( 3.778 -0.119 6.755) 7.741 5.410 ( 4.471 1.068 10.657) 11.607 5.463 ( -1.976 -0.265 -7.789) 8.040 5.764 ( 6.287 9.586 6.201) 13.034 6.041 ( 14.836 5.684 -13.790) 21.038 6.242 ( 1.991 0.515 6.225) 6.556 6.432 ( 3.007 2.419 -7.111) 8.091 6.691 ( 5.884 -2.011 3.726) 7.249 6.773 ( 7.615 3.973 1.536) 8.725 7.118 ( -8.035 2.390 0.513) 8.399 7.167 ( 0.038 11.955 3.205) 12.377 7.237 ( -5.310 11.561 -4.470) 13.485 7.486 ( 9.309 3.815 -4.750) 11.125 8.256 ( 1.214 -0.038 2.808) 3.059 8.294 ( -1.628 2.127 -3.564) 4.459 8.348 ( 2.989 -0.719 18.800) 19.050 8.621 ( -0.156 -2.437 -16.092) 16.276 9.000 ( 4.286 3.095 3.856) 6.544 9.219 ( 5.845 1.021 -6.354) 8.694 9.559 ( -4.095 4.367 11.730) 13.169 9.792 ( -8.711 1.360 -20.114) 21.961 11.078 ( -5.225 -6.003 12.607) 14.909 11.371 ( -4.053 -3.091 -11.476) 12.557 11.659 ( -7.769 -2.907 12.532) 15.029 11.925 ( -10.689 -2.884 -5.603) 12.408 12.350 ( 17.209 -3.098 6.837) 18.775 12.574 ( 8.335 -2.282 2.750) 9.068 12.685 ( 5.872 3.969 0.602) 7.113 12.788 ( 0.163 1.443 -10.659) 10.757 15.283 ( 0.239 7.992 0.839) 8.040 15.352 ( 4.272 11.081 -0.297) 11.879 15.768 ( -1.372 1.173 -0.348) 1.839 15.821 ( 1.344 3.914 -0.083) 4.139 16.239 ( 7.504 0.710 21.438) 22.724 16.624 ( 4.343 0.811 -17.606) 18.152 17.065 ( -5.183 -2.623 1.042) 5.902 17.128 ( -2.702 -2.528 -2.149) 4.279 20.898 ( 4.991 -1.320 3.490) 6.232 20.937 ( 4.458 1.497 -2.566) 5.357 23.254 ( -0.941 -2.718 3.127) 4.248 23.346 ( -0.726 -1.886 -6.165) 6.487 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 7.540 5.043 -13.963) 16.650 2.028 ( 5.496 4.341 17.491) 18.841 2.121 ( 6.986 11.694 -20.712) 24.789 2.243 ( 10.193 3.182 18.327) 21.211 2.698 ( -2.046 0.567 -1.477) 2.586 2.745 ( -3.396 0.963 3.024) 4.648 3.031 ( -3.573 -7.728 2.525) 8.881 3.061 ( -2.188 -7.972 -0.611) 8.289 3.392 ( -9.538 -6.279 -3.513) 11.947 3.406 ( -7.842 -2.678 5.887) 10.165 3.658 ( -6.395 -2.706 3.772) 7.903 3.791 ( -4.728 -3.700 -4.600) 7.563 3.840 ( -0.650 5.734 1.075) 5.870 3.941 ( -0.910 2.783 -2.817) 4.063 4.001 ( 10.901 6.423 -15.723) 20.182 4.058 ( 2.364 -2.881 0.356) 3.743 4.450 ( 0.692 7.445 -0.087) 7.478 4.623 ( 3.164 6.059 8.770) 11.119 4.777 ( -3.311 -1.508 2.053) 4.177 5.037 ( -0.727 -0.612 0.986) 1.370 5.288 ( -3.586 2.752 -8.498) 9.625 5.627 ( 4.702 -1.026 12.175) 13.092 5.904 ( 3.366 3.114 -8.526) 9.681 6.095 ( 7.002 9.810 -0.648) 12.070 6.304 ( 4.441 -5.151 2.968) 7.420 6.503 ( 3.442 -2.771 -0.556) 4.453 6.753 ( 3.280 1.375 1.293) 3.784 6.895 ( -14.801 -7.424 -3.564) 16.938 7.014 ( 5.931 3.919 4.762) 8.556 7.177 ( -1.882 20.819 2.112) 21.010 7.238 ( 11.896 9.282 0.948) 15.119 7.568 ( 10.361 9.799 -7.094) 15.928 8.192 ( -3.905 -2.288 -7.038) 8.368 8.252 ( -1.724 -4.121 -2.351) 5.047 8.536 ( 3.759 0.608 0.554) 3.848 8.599 ( 3.942 2.383 5.763) 7.378 9.242 ( 13.976 -0.889 13.284) 19.303 9.265 ( 7.736 1.414 -4.504) 9.062 9.402 ( -10.379 2.180 -12.447) 16.352 9.653 ( -3.402 9.060 11.861) 15.308 11.055 ( -10.746 -6.405 -6.103) 13.920 11.123 ( -8.477 -3.689 0.509) 9.259 11.690 ( -7.292 -3.997 -8.028) 11.559 11.755 ( -3.415 -3.404 13.341) 14.186 12.632 ( 3.768 2.513 -7.461) 8.728 12.694 ( 12.528 -1.645 1.137) 12.686 12.756 ( 6.999 -1.085 6.267) 9.457 12.806 ( 7.590 1.009 -1.160) 7.744 15.304 ( 3.206 2.063 -0.647) 3.867 15.455 ( 6.708 9.386 1.726) 11.665 15.761 ( 2.307 -0.528 -1.450) 2.776 15.853 ( 3.599 3.948 -1.434) 5.531 16.516 ( 7.302 0.784 -18.063) 19.499 16.575 ( 7.002 0.595 16.162) 17.624 16.961 ( -8.330 -5.736 0.765) 10.143 17.043 ( -6.058 -3.304 -0.882) 6.956 20.992 ( 7.733 0.297 -1.666) 7.916 21.059 ( 7.400 1.579 3.552) 8.359 23.246 ( -1.921 -3.044 -1.667) 3.967 23.298 ( -1.407 -1.135 1.975) 2.677 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 11.217 6.345 -10.338) 16.521 2.031 ( 9.710 9.831 -17.343) 22.175 2.277 ( 4.138 0.473 12.735) 13.399 2.536 ( 4.227 2.021 10.813) 11.784 2.667 ( -3.097 -1.516 3.126) 4.654 2.745 ( -3.187 3.325 5.301) 7.022 2.967 ( -2.645 -5.511 -1.365) 6.263 3.006 ( -10.037 -7.731 -1.416) 12.748 3.128 ( -13.247 -3.392 -5.239) 14.644 3.245 ( -12.997 -3.043 3.775) 13.872 3.515 ( -8.986 1.272 -0.437) 9.086 3.605 ( -8.251 2.310 3.082) 9.105 3.922 ( 11.125 3.886 -11.888) 16.739 4.021 ( 11.299 -2.340 -5.501) 12.783 4.098 ( 8.825 -3.747 -4.587) 10.628 4.128 ( 13.068 -0.846 -4.812) 13.952 4.442 ( 2.291 3.517 -3.230) 5.297 4.723 ( -2.338 0.342 0.065) 2.364 4.832 ( 2.534 2.115 1.635) 3.683 5.017 ( 2.344 1.270 2.423) 3.603 5.177 ( -1.703 6.738 -4.763) 8.425 5.815 ( -1.686 -0.862 12.236) 12.382 5.843 ( 7.436 0.053 -8.154) 11.035 6.104 ( -3.307 5.647 -1.362) 6.684 6.431 ( 1.609 -4.246 4.566) 6.440 6.455 ( -7.878 -4.853 -2.039) 9.474 6.655 ( -6.122 -7.572 -2.616) 10.082 6.842 ( 0.215 4.143 7.918) 8.939 7.015 ( -2.003 7.760 -5.173) 9.539 7.243 ( 3.083 12.664 3.506) 13.497 7.459 ( 13.977 5.841 -1.842) 15.260 7.659 ( 5.574 10.804 -1.156) 12.213 8.051 ( -0.554 -8.657 -8.855) 12.396 8.220 ( 1.301 -1.450 -2.447) 3.127 8.595 ( -0.947 0.376 3.663) 3.802 8.646 ( 2.624 14.482 -2.849) 14.991 9.276 ( 3.280 0.636 0.672) 3.408 9.361 ( 8.739 -0.384 -1.084) 8.814 9.627 ( 6.557 1.501 16.337) 17.667 9.780 ( 6.986 6.389 10.478) 14.121 10.733 ( -10.624 -6.162 -14.153) 18.739 11.011 ( -12.720 -4.002 3.241) 13.723 11.521 ( -1.522 -4.647 -8.113) 9.472 11.797 ( -8.050 -2.931 7.338) 11.280 12.604 ( 5.924 4.291 -4.903) 8.806 12.852 ( 3.586 -1.702 4.428) 5.947 12.890 ( 5.506 -1.049 0.208) 5.609 13.000 ( 11.265 -1.152 3.929) 11.986 15.375 ( 6.841 -3.513 -1.005) 7.755 15.589 ( 7.746 4.908 1.529) 9.297 15.809 ( 5.463 -1.424 -1.477) 5.836 15.903 ( 6.283 3.082 -3.365) 7.765 16.454 ( 8.401 0.250 -15.862) 17.951 16.709 ( -5.288 -6.320 0.434) 8.252 16.909 ( -1.586 -1.580 7.124) 7.467 16.921 ( -8.377 -4.210 1.097) 9.439 21.116 ( 9.084 0.950 -0.438) 9.144 21.208 ( 6.117 1.065 3.562) 7.158 23.200 ( -0.828 -1.736 -1.493) 2.434 23.310 ( -3.093 -1.257 5.600) 6.520 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 10.956 5.183 -9.621) 15.474 2.054 ( 12.488 5.089 -10.302) 16.971 2.399 ( -5.650 0.191 6.020) 8.259 2.581 ( -2.153 -1.816 -3.421) 4.431 2.651 ( -6.160 -0.399 4.595) 7.695 2.701 ( -5.120 -0.207 4.087) 6.555 2.819 ( -1.540 0.988 1.525) 2.382 2.929 ( -13.301 2.037 5.808) 14.656 2.990 ( -0.610 0.721 -0.920) 1.319 3.152 ( -4.897 -7.370 2.673) 9.244 3.400 ( -2.107 -0.284 -1.902) 2.853 3.536 ( -7.891 1.441 2.882) 8.523 3.922 ( 5.028 0.358 -9.980) 11.181 4.055 ( 2.714 0.730 -9.384) 9.795 4.231 ( 11.788 -9.337 -2.971) 15.328 4.325 ( 24.609 -1.359 -10.337) 26.726 4.509 ( 6.222 0.114 1.632) 6.434 4.668 ( -2.164 1.172 -2.838) 3.756 4.740 ( -4.273 -0.463 -6.882) 8.114 5.122 ( 0.727 -2.745 3.423) 4.447 5.136 ( 0.496 14.227 -0.969) 14.269 5.786 ( -6.546 -1.015 3.697) 7.587 5.965 ( 4.884 0.904 -0.227) 4.972 6.052 ( -1.416 -2.780 0.612) 3.179 6.243 ( -9.187 -5.097 -3.556) 11.092 6.517 ( -11.126 -6.005 -0.968) 12.680 6.565 ( 7.100 0.378 6.928) 9.927 6.903 ( -3.832 -0.247 -2.246) 4.449 6.962 ( 3.770 6.589 3.637) 8.418 7.284 ( -0.976 10.375 1.551) 10.535 7.621 ( 11.044 9.733 -5.449) 15.697 7.710 ( -0.709 3.019 5.846) 6.618 7.999 ( 3.217 -9.853 -5.667) 11.813 8.233 ( 3.527 1.162 -3.173) 4.885 8.610 ( -0.800 1.060 5.073) 5.244 8.677 ( 3.653 19.568 -2.292) 20.037 9.376 ( 1.603 0.636 4.633) 4.943 9.525 ( 11.160 0.061 1.065) 11.211 9.755 ( -4.723 12.855 8.927) 16.348 10.017 ( 5.735 -4.635 1.506) 7.526 10.518 ( 1.744 -7.346 -4.735) 8.912 10.823 ( -11.509 -3.929 0.540) 12.174 11.449 ( 1.381 -4.841 -6.607) 8.306 11.664 ( -11.343 -0.304 -1.448) 11.439 12.713 ( 7.641 2.245 3.109) 8.549 12.921 ( -2.800 1.979 7.835) 8.553 12.976 ( 7.392 -4.157 -3.363) 9.123 13.168 ( 5.262 -0.550 2.440) 5.826 15.493 ( 9.659 -7.576 -1.344) 12.349 15.713 ( 5.603 0.907 0.443) 5.693 15.884 ( 5.271 -2.752 -1.017) 6.033 15.984 ( 8.199 0.750 -2.411) 8.579 16.418 ( 5.370 -2.486 -11.475) 12.911 16.567 ( -7.258 -10.917 -3.510) 13.572 16.792 ( -5.766 -2.079 -0.955) 6.203 16.957 ( -4.011 2.059 4.148) 6.127 21.251 ( 7.301 0.009 0.801) 7.345 21.317 ( 3.055 -0.309 2.770) 4.135 23.200 ( 1.354 -0.544 1.002) 1.770 23.317 ( -4.268 -0.756 6.032) 7.428 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 9.723 2.374 -5.313) 11.331 2.157 ( 8.066 1.154 -3.441) 8.845 2.244 ( -9.775 1.909 -1.065) 10.016 2.464 ( -3.236 -2.183 -7.939) 8.847 2.663 ( -3.871 2.663 -0.495) 4.724 2.747 ( 5.355 0.000 5.053) 7.363 2.798 ( -10.185 2.142 10.863) 15.045 2.835 ( -1.567 2.019 0.496) 2.603 2.985 ( 3.266 -0.495 -0.708) 3.378 3.102 ( -4.454 -5.211 1.033) 6.932 3.310 ( -5.026 0.335 -4.767) 6.935 3.480 ( 1.322 0.925 -3.719) 4.054 3.878 ( 1.218 -4.644 -5.537) 7.329 3.981 ( 1.634 -2.833 -8.788) 9.377 4.375 ( 9.015 -4.038 -2.338) 10.151 4.502 ( -4.396 -6.562 -2.492) 8.282 4.595 ( -1.048 1.577 -0.852) 2.076 4.661 ( 7.318 4.944 -4.393) 9.864 4.673 ( 14.098 -0.980 -1.522) 14.214 5.030 ( -11.713 0.374 -3.475) 12.223 5.226 ( 5.277 7.339 9.037) 12.782 5.728 ( -3.719 2.593 0.352) 4.548 5.965 ( -5.923 -6.755 0.776) 9.018 6.053 ( 5.971 0.413 -1.094) 6.085 6.156 ( 0.097 -2.973 -2.817) 4.097 6.303 ( -10.498 -6.557 -2.490) 12.626 6.739 ( 5.151 -0.273 -0.615) 5.195 6.828 ( -3.452 -4.925 0.460) 6.032 7.107 ( 7.135 7.819 9.587) 14.281 7.273 ( -5.320 11.609 6.319) 14.248 7.698 ( 2.304 3.404 0.518) 4.143 7.756 ( 2.979 8.997 -2.328) 9.759 8.007 ( 3.210 -11.502 -2.443) 12.189 8.227 ( 1.863 -1.536 -6.951) 7.358 8.660 ( -1.279 6.465 4.751) 8.124 8.727 ( 5.932 14.136 -1.160) 15.374 9.398 ( -3.572 1.197 3.752) 5.317 9.656 ( -6.814 10.064 8.276) 14.704 9.689 ( -0.571 4.152 -4.956) 6.491 10.020 ( 3.038 -1.746 -5.735) 6.721 10.656 ( 9.406 -7.044 3.934) 12.392 10.718 ( -4.278 -4.762 3.698) 7.393 11.352 ( -8.852 -4.113 -3.136) 10.252 11.512 ( 2.657 0.611 -8.188) 8.630 12.845 ( -0.130 -1.166 6.135) 6.246 12.973 ( 0.692 4.518 7.465) 8.753 13.040 ( 4.936 -4.068 -2.979) 7.056 13.219 ( -0.236 0.665 0.115) 0.715 15.636 ( 9.308 -8.596 -1.162) 12.723 15.737 ( -2.817 -4.155 -0.509) 5.046 15.942 ( 2.647 -1.449 -0.157) 3.021 16.093 ( 6.830 -1.886 -1.283) 7.201 16.346 ( -2.226 -10.383 -5.741) 12.071 16.450 ( -1.062 -11.064 -4.491) 11.988 16.758 ( 4.110 3.578 -2.132) 5.851 16.870 ( -8.682 4.510 -0.476) 9.795 21.338 ( -0.212 -2.526 2.665) 3.678 21.374 ( 2.942 -0.412 0.685) 3.048 23.264 ( 3.895 0.167 2.675) 4.728 23.306 ( -4.802 -0.158 4.845) 6.823 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -20.297 2.070 -3.372) 20.679 2.163 ( -7.193 0.987 -2.647) 7.728 2.300 ( 9.385 0.075 -3.276) 9.940 2.414 ( 9.345 0.177 -0.444) 9.357 2.583 ( 1.952 4.273 -6.522) 8.038 2.753 ( 1.757 -0.326 1.641) 2.426 2.819 ( -0.721 1.914 4.515) 4.957 3.013 ( 7.350 -1.905 8.644) 11.506 3.029 ( -1.711 -3.209 0.752) 3.714 3.085 ( 6.340 -0.324 1.945) 6.640 3.240 ( 0.658 0.642 -1.738) 1.966 3.383 ( 0.597 1.545 -15.916) 16.002 3.853 ( -3.119 -6.830 -1.592) 7.675 3.925 ( 2.916 -4.618 -3.719) 6.608 4.286 ( -14.704 -5.771 -0.576) 15.806 4.497 ( 3.157 0.360 -1.480) 3.505 4.560 ( -8.714 -2.923 0.122) 9.192 4.627 ( -1.451 9.837 0.740) 9.971 4.730 ( -11.743 1.601 -3.824) 12.453 4.958 ( 13.228 -4.465 -0.190) 13.963 5.452 ( 6.821 6.342 11.567) 14.851 5.607 ( -8.461 6.319 -5.679) 11.990 5.939 ( -0.326 -4.884 1.941) 5.265 6.121 ( 6.877 -2.480 -4.448) 8.557 6.156 ( -0.792 -9.926 -0.827) 9.992 6.242 ( 9.518 0.204 -0.496) 9.533 6.712 ( -4.873 -4.763 0.274) 6.820 6.794 ( 0.423 -0.183 -4.121) 4.146 7.241 ( -8.660 8.158 9.473) 15.209 7.366 ( 5.626 7.051 11.973) 14.991 7.624 ( -9.876 9.983 -4.433) 14.726 7.797 ( 7.464 6.180 -5.082) 10.943 8.026 ( -0.259 -9.331 -0.331) 9.340 8.146 ( 0.983 -9.951 -8.663) 13.230 8.675 ( -1.966 11.235 2.339) 11.643 8.813 ( 7.452 8.796 -2.789) 11.861 9.404 ( -3.749 2.470 6.983) 8.302 9.509 ( -11.161 11.635 2.855) 16.374 9.696 ( -1.109 -0.333 1.943) 2.262 10.025 ( 4.493 2.100 -3.404) 6.015 10.699 ( -3.888 -5.399 2.929) 7.270 10.777 ( 0.256 -3.400 -1.810) 3.860 11.221 ( -2.314 -3.183 2.104) 4.462 11.543 ( 11.743 -1.283 -8.391) 14.490 12.839 ( -7.762 -1.212 6.359) 10.107 13.052 ( -0.053 -4.219 -3.212) 5.303 13.091 ( 2.178 3.459 6.527) 7.702 13.184 ( -1.660 2.036 -1.730) 3.145 15.604 ( -10.076 -8.488 -0.421) 13.181 15.747 ( 2.807 -4.504 -1.201) 5.441 15.945 ( -3.608 1.168 0.986) 3.918 16.117 ( -0.577 -0.773 -4.083) 4.195 16.275 ( -0.398 -18.664 -1.177) 18.705 16.423 ( 2.108 -7.761 -5.256) 9.608 16.738 ( -4.103 3.887 -0.095) 5.653 16.856 ( 9.397 5.546 -0.971) 10.954 21.315 ( -5.618 -1.082 2.821) 6.379 21.412 ( 0.330 -1.930 0.251) 1.974 23.274 ( -4.303 0.080 2.698) 5.079 23.369 ( 5.314 0.063 2.480) 5.865 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -24.389 6.123 1.292) 25.179 1.911 ( -17.084 2.851 -3.510) 17.672 2.418 ( 8.532 -0.610 -0.711) 8.584 2.610 ( 7.472 1.322 2.137) 7.884 2.672 ( 17.059 1.174 -1.085) 17.134 2.837 ( -0.764 1.273 6.908) 7.066 2.906 ( 9.519 0.689 -1.435) 9.651 2.952 ( -4.931 -2.201 0.754) 5.453 3.153 ( 3.151 -1.942 1.326) 3.932 3.186 ( 2.480 -1.011 -11.057) 11.377 3.253 ( 7.187 -0.279 -1.575) 7.363 3.358 ( 7.209 4.410 3.574) 9.176 3.682 ( -16.285 -1.608 -2.332) 16.529 3.967 ( 0.398 -6.726 0.810) 6.786 4.034 ( -13.977 -7.735 -0.247) 15.977 4.230 ( -17.383 -7.219 -1.932) 18.921 4.507 ( -1.756 6.270 2.098) 6.841 4.641 ( 2.618 7.286 -1.653) 7.917 4.710 ( 3.249 6.908 0.331) 7.641 5.076 ( 0.000 -3.784 2.287) 4.421 5.368 ( -9.799 6.615 -7.310) 13.900 5.698 ( 7.793 1.355 10.662) 13.276 5.935 ( -0.871 2.507 -0.592) 2.720 6.142 ( 2.470 -10.889 -2.132) 11.367 6.227 ( 9.343 -2.864 -4.297) 10.675 6.433 ( 10.515 -6.252 -1.115) 12.284 6.669 ( -1.506 2.297 5.434) 6.089 6.748 ( -2.237 -1.983 -1.003) 3.153 7.151 ( -11.894 2.655 0.729) 12.208 7.360 ( -12.918 12.998 -4.351) 18.835 7.506 ( 0.149 7.640 4.375) 8.805 7.841 ( 3.125 1.363 -3.567) 4.934 7.958 ( -3.798 -6.236 -3.665) 8.170 8.133 ( 2.325 -6.640 -0.458) 7.050 8.651 ( -2.716 16.840 0.535) 17.066 8.888 ( 7.195 2.383 -6.094) 9.726 9.346 ( -10.245 4.757 5.902) 12.745 9.405 ( -10.608 5.563 4.011) 12.632 9.747 ( 1.836 -1.936 7.817) 8.260 10.143 ( 13.392 3.661 0.486) 13.892 10.610 ( -6.647 -4.806 -4.600) 9.404 10.682 ( -5.362 -1.195 -1.539) 5.705 11.314 ( 6.944 -2.934 3.458) 8.294 11.675 ( 13.732 -2.109 -5.185) 14.829 12.762 ( -10.292 -1.283 5.632) 11.802 12.947 ( -7.553 -3.541 -3.670) 9.114 13.144 ( 0.240 1.465 -0.364) 1.529 13.169 ( -1.301 1.357 1.748) 2.567 15.432 ( -10.488 -7.195 -0.032) 12.719 15.707 ( -6.077 -1.006 0.156) 6.161 15.849 ( -9.253 1.131 1.171) 9.395 16.008 ( -6.080 -0.206 -5.079) 7.926 16.204 ( -8.420 -5.442 -3.380) 10.580 16.456 ( 8.884 -11.873 0.636) 14.843 16.786 ( 7.542 -1.890 0.491) 7.791 17.000 ( 8.642 3.876 0.114) 9.472 21.237 ( -7.637 1.969 2.439) 8.255 21.383 ( -4.192 -1.737 0.089) 4.539 23.236 ( -2.747 -0.294 0.653) 2.838 23.470 ( 5.077 -0.554 0.548) 5.136 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -19.837 11.362 16.785) 28.361 1.595 ( -20.811 7.852 1.839) 22.319 2.531 ( 3.439 0.921 2.256) 4.215 2.754 ( 6.854 0.975 -8.421) 10.902 2.797 ( 0.722 -0.531 0.393) 0.979 2.895 ( -12.723 2.699 3.771) 13.542 2.912 ( 11.578 0.824 -0.899) 11.642 3.021 ( 3.934 2.803 -1.973) 5.218 3.162 ( -1.232 4.043 -3.569) 5.532 3.222 ( 4.083 -1.752 7.265) 8.515 3.318 ( -3.656 -2.862 0.207) 4.648 3.355 ( -0.376 -3.037 8.040) 8.603 3.513 ( 3.570 4.492 -1.014) 5.827 3.806 ( -13.000 -7.729 2.944) 15.408 3.991 ( 1.351 -6.461 -2.599) 7.094 4.124 ( 3.120 -6.220 -1.900) 7.214 4.548 ( 0.989 9.007 5.389) 10.542 4.605 ( -3.203 5.495 -6.171) 8.862 4.786 ( 8.647 1.652 -0.699) 8.831 5.035 ( -7.427 2.046 1.959) 7.949 5.180 ( -5.867 7.093 -3.264) 9.767 5.823 ( -4.720 0.937 0.455) 4.833 6.007 ( 10.546 1.359 5.111) 11.798 6.190 ( 2.729 -5.701 3.522) 7.235 6.255 ( 1.318 -7.088 -5.442) 9.033 6.498 ( 1.565 -8.040 0.333) 8.198 6.696 ( -7.461 -3.084 6.502) 10.366 6.724 ( -2.870 6.992 -4.982) 9.053 7.009 ( 3.000 2.952 0.954) 4.316 7.163 ( -12.029 7.788 0.417) 14.336 7.480 ( -3.507 12.187 -3.218) 13.084 7.804 ( -4.083 1.770 -3.881) 5.905 7.869 ( -2.775 -5.060 -0.277) 5.777 8.161 ( 1.017 -3.075 0.101) 3.240 8.604 ( -3.390 19.496 -0.148) 19.789 8.889 ( 3.670 0.526 -8.253) 9.047 9.180 ( -15.396 0.987 3.956) 15.927 9.337 ( -5.220 5.627 4.944) 9.130 9.935 ( 8.431 -4.532 10.237) 14.014 10.322 ( 3.421 -1.594 -4.240) 5.676 10.414 ( 0.026 1.254 -16.147) 16.195 10.716 ( 5.000 -2.576 13.861) 14.959 11.460 ( 8.514 -1.495 -0.218) 8.647 11.843 ( 11.879 -2.327 -1.199) 12.164 12.637 ( -11.297 -0.138 2.372) 11.544 12.762 ( -11.357 -7.545 -2.449) 13.853 13.110 ( -5.065 -0.001 -1.696) 5.342 13.135 ( -1.657 0.726 -1.270) 2.210 15.294 ( -7.659 -3.094 1.451) 8.387 15.606 ( -6.178 3.176 1.072) 7.029 15.709 ( -10.990 0.463 3.712) 11.609 15.838 ( -8.367 0.807 -3.991) 9.305 16.022 ( -10.679 1.485 -0.094) 10.782 16.643 ( 11.461 -11.992 1.670) 16.672 16.920 ( 7.983 -1.473 0.133) 8.119 17.110 ( 5.611 1.033 -0.907) 5.777 21.131 ( -8.260 4.954 0.803) 9.665 21.289 ( -7.440 -0.201 -0.025) 7.443 23.208 ( -0.869 -1.049 -0.453) 1.436 23.532 ( 3.774 -1.204 -2.259) 4.560 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -13.372 15.589 22.544) 30.497 1.346 ( -18.917 15.638 12.262) 27.436 2.412 ( -36.166 18.138 22.865) 46.473 2.601 ( -3.330 -0.846 -6.600) 7.441 2.767 ( 1.233 1.434 -0.285) 1.913 2.849 ( 5.300 -0.824 -6.092) 8.117 2.962 ( -1.379 -4.923 -9.813) 11.065 3.116 ( 6.621 0.477 -3.061) 7.310 3.174 ( 0.045 -0.027 -6.548) 6.548 3.257 ( 13.025 -4.719 6.435) 15.275 3.435 ( 5.549 1.576 8.667) 10.411 3.540 ( 5.196 -2.871 0.219) 5.940 3.647 ( 1.452 0.368 19.987) 20.043 3.728 ( -0.492 -2.336 6.866) 7.269 3.977 ( 3.888 -4.345 -5.099) 7.746 4.171 ( 5.109 -3.662 -3.997) 7.449 4.458 ( -2.482 4.126 -8.733) 9.973 4.608 ( -0.603 6.659 4.682) 8.162 4.875 ( -4.971 6.090 -2.564) 8.269 5.011 ( 9.965 1.877 2.348) 10.409 5.093 ( -3.237 4.041 0.241) 5.183 5.672 ( -10.049 4.582 -4.084) 11.776 6.099 ( -3.398 -4.705 -5.090) 7.719 6.238 ( 0.007 -4.369 2.472) 5.020 6.342 ( 5.936 0.028 6.083) 8.499 6.493 ( -4.728 -12.932 4.183) 14.391 6.571 ( -9.401 6.709 1.912) 11.706 6.715 ( 1.713 2.944 5.640) 6.589 6.957 ( -5.885 3.778 -1.829) 7.228 7.173 ( 6.225 1.583 3.611) 7.369 7.360 ( -4.504 16.926 -4.759) 18.150 7.593 ( -15.207 3.380 -4.671) 16.264 7.906 ( 5.199 -0.717 1.615) 5.491 8.168 ( 0.275 -4.146 -0.808) 4.233 8.571 ( -0.013 22.116 0.399) 22.119 8.858 ( 2.984 -1.303 -4.984) 5.953 9.018 ( -9.993 4.910 3.022) 11.537 9.309 ( -1.163 -0.315 -0.953) 1.537 9.971 ( -7.586 -5.990 -16.003) 18.695 10.299 ( 7.597 -1.391 -7.008) 10.429 10.394 ( 6.570 0.679 8.655) 10.887 11.040 ( 11.959 -1.960 13.575) 18.197 11.566 ( 8.107 -2.812 -3.950) 9.447 12.018 ( 9.404 -2.561 1.761) 9.905 12.451 ( -11.774 0.915 -3.810) 12.409 12.542 ( -16.218 -10.775 3.319) 19.752 12.949 ( -10.620 -0.033 -3.957) 11.333 13.089 ( -0.797 -0.211 -4.354) 4.431 15.225 ( -4.296 1.788 2.666) 5.363 15.554 ( -1.770 10.474 -1.704) 10.758 15.621 ( -7.547 0.626 8.345) 11.269 15.700 ( -5.147 0.965 2.624) 5.857 15.884 ( -9.158 1.849 3.678) 10.041 16.823 ( 8.970 -7.647 0.725) 11.809 17.016 ( 3.735 0.065 -0.487) 3.767 17.157 ( 3.903 -1.831 -3.482) 5.542 20.989 ( -9.130 4.754 -1.752) 10.442 21.163 ( -7.857 1.872 -0.386) 8.086 23.200 ( 0.428 -1.711 -0.427) 1.815 23.539 ( 2.235 -1.680 -4.915) 5.655 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.11 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -14.571 17.280 18.305) 29.086 1.309 ( -9.549 19.630 22.759) 31.536 2.322 ( -18.068 19.970 42.683) 50.469 2.460 ( -3.918 3.714 -9.866) 11.247 2.673 ( -4.159 2.070 -13.813) 14.574 2.833 ( 2.352 0.284 -6.633) 7.043 2.896 ( 2.389 -5.721 0.477) 6.218 3.075 ( -3.894 -0.143 -5.618) 6.837 3.207 ( 6.794 -1.639 -2.060) 7.287 3.461 ( 2.070 -9.266 8.881) 13.000 3.542 ( 0.002 -7.328 -1.450) 7.470 3.701 ( 7.780 3.875 3.043) 9.208 3.802 ( 7.977 -8.786 5.868) 13.238 3.924 ( 5.202 -1.094 10.659) 11.911 4.087 ( 9.051 -1.557 1.310) 9.277 4.197 ( 5.415 0.943 1.674) 5.746 4.371 ( 0.552 7.684 -4.104) 8.729 4.648 ( -3.292 2.056 7.074) 8.069 4.753 ( -4.676 8.013 -3.296) 9.846 5.051 ( -1.264 0.583 3.983) 4.219 5.216 ( 9.198 1.166 -1.906) 9.466 5.485 ( -6.429 6.697 -2.956) 9.743 5.963 ( -4.303 -2.655 -5.897) 7.768 6.095 ( -12.304 2.276 -2.901) 12.845 6.298 ( -15.475 7.950 -3.933) 17.837 6.495 ( -6.641 -1.086 9.670) 11.781 6.522 ( 7.739 -5.684 -0.583) 9.620 6.914 ( 9.011 -0.656 7.365) 11.657 6.981 ( 2.033 4.017 5.047) 6.763 7.178 ( -7.829 2.202 -5.474) 9.803 7.282 ( -4.989 14.331 -1.955) 15.300 7.370 ( 1.587 4.376 0.453) 4.677 8.029 ( 5.434 1.832 4.199) 7.108 8.155 ( -0.573 -5.586 0.001) 5.615 8.559 ( -1.173 21.916 -6.069) 22.771 8.874 ( -2.696 0.369 1.469) 3.092 8.956 ( 2.472 1.835 1.035) 3.248 9.294 ( 3.033 -1.564 -3.994) 5.253 9.613 ( -8.356 -2.704 -19.026) 20.955 10.244 ( 5.860 2.095 -17.792) 18.849 10.715 ( 7.006 -4.266 19.718) 21.356 11.302 ( 5.920 -1.109 6.764) 9.057 11.654 ( 6.878 -6.563 -0.223) 9.509 12.083 ( -1.961 -5.921 -5.011) 8.000 12.300 ( -7.167 1.021 8.989) 11.542 12.357 ( -10.773 -2.205 5.017) 12.086 12.722 ( -8.252 0.588 -7.641) 11.262 13.012 ( -1.288 -0.256 -6.437) 6.570 15.211 ( -1.315 6.849 2.752) 7.497 15.459 ( -3.926 12.084 -4.632) 13.523 15.671 ( 0.122 0.172 11.385) 11.387 15.769 ( 4.730 3.531 3.532) 6.878 15.816 ( -7.711 1.868 8.395) 11.551 16.885 ( 0.916 -0.745 -6.695) 6.798 17.048 ( 2.720 -2.971 0.423) 4.051 17.177 ( 3.424 -1.642 -3.400) 5.097 20.837 ( -7.106 1.197 0.069) 7.207 21.040 ( -5.981 2.354 -1.726) 6.656 23.210 ( 0.762 -2.107 0.455) 2.286 23.499 ( 0.935 -2.001 -6.628) 6.986 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -3.119 17.096 14.011) 22.323 1.777 ( -3.170 12.794 19.199) 23.288 2.342 ( -3.694 3.787 -16.485) 17.313 2.474 ( 3.182 -0.984 -11.315) 11.795 2.772 ( -0.894 -1.416 -1.242) 2.085 2.830 ( -0.207 -7.757 3.299) 8.432 2.968 ( -1.646 3.319 -9.672) 10.357 3.084 ( 4.847 -6.770 -4.944) 9.684 3.223 ( 1.365 15.888 24.951) 29.612 3.357 ( 1.924 -10.453 3.572) 11.213 3.396 ( -4.183 -2.494 6.298) 7.961 3.571 ( 0.528 -5.151 -3.367) 6.176 3.712 ( -0.552 -11.125 -3.354) 11.633 4.152 ( 3.898 10.680 5.423) 12.596 4.307 ( 1.850 8.516 11.459) 14.396 4.476 ( 3.392 5.181 8.876) 10.822 4.592 ( -1.186 9.892 5.224) 11.249 4.653 ( -0.044 1.883 1.190) 2.228 4.808 ( -4.289 8.895 -6.091) 11.602 5.030 ( -4.494 -1.124 -3.714) 5.937 5.337 ( 1.231 4.536 3.106) 5.634 5.522 ( 0.982 2.492 -2.582) 3.720 5.894 ( -0.926 4.269 -1.377) 4.580 6.136 ( 3.714 8.982 -0.317) 9.725 6.284 ( -4.688 8.720 -0.974) 9.948 6.463 ( 2.653 -2.715 3.636) 5.256 6.619 ( 2.150 3.928 1.385) 4.687 6.856 ( -7.244 1.309 -6.874) 10.072 7.142 ( -0.918 1.838 3.691) 4.224 7.260 ( 13.593 -0.661 0.714) 13.628 7.374 ( -3.244 2.261 1.999) 4.431 7.641 ( -2.252 17.764 -5.494) 18.731 8.117 ( 3.111 -4.612 4.814) 7.356 8.133 ( 2.313 -1.363 9.710) 10.074 8.610 ( -4.100 1.115 -8.365) 9.383 8.876 ( -6.071 15.793 -11.137) 20.257 9.013 ( 1.928 2.029 -1.934) 3.402 9.239 ( 0.620 -1.765 -9.440) 9.624 9.534 ( 3.140 5.511 8.893) 10.924 10.115 ( -2.756 1.680 -15.135) 15.476 10.853 ( -1.894 -6.828 16.382) 17.849 11.334 ( 2.653 -4.822 -2.449) 6.024 11.666 ( 0.281 -3.317 0.819) 3.428 11.957 ( 7.841 -6.739 -3.077) 10.787 12.103 ( -13.270 -2.379 7.091) 15.233 12.406 ( 0.244 -1.767 3.453) 3.886 12.683 ( 4.465 4.415 -1.701) 6.506 12.920 ( -0.837 0.666 -6.447) 6.535 15.483 ( 3.343 12.719 3.450) 13.596 15.581 ( -3.766 10.759 -1.492) 11.496 15.831 ( 3.083 4.282 2.215) 5.723 15.914 ( -1.628 4.384 3.961) 6.129 15.967 ( 0.480 6.278 15.731) 16.945 16.767 ( 0.895 -0.655 -13.305) 13.352 17.033 ( 0.697 -3.653 1.684) 4.082 17.129 ( -0.479 -3.521 -2.894) 4.583 20.832 ( -0.243 4.731 1.993) 5.140 20.998 ( -1.480 3.718 -3.974) 5.640 23.169 ( -0.011 -3.925 1.464) 4.189 23.364 ( 0.076 -4.654 -7.289) 8.648 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 5.989 9.813 16.862) 20.408 1.968 ( 1.643 6.461 18.293) 19.470 2.143 ( 0.857 4.944 -13.143) 14.069 2.420 ( 7.421 4.967 -14.513) 17.040 2.742 ( -3.231 -2.648 0.497) 4.207 2.804 ( -4.225 -3.576 -0.931) 5.613 2.890 ( -0.642 -3.523 -0.983) 3.713 3.002 ( -2.377 -8.478 -7.207) 11.379 3.366 ( -3.777 -6.594 1.195) 7.693 3.373 ( -3.903 -9.689 1.821) 10.603 3.487 ( 3.637 -4.633 5.249) 7.889 3.584 ( 2.981 -7.231 0.190) 7.823 3.808 ( 4.735 12.670 15.442) 20.528 4.170 ( -0.720 12.007 -5.055) 13.047 4.324 ( -10.230 10.727 2.005) 14.957 4.397 ( -12.483 10.855 -5.637) 17.477 4.556 ( -4.273 4.848 8.555) 10.722 4.684 ( 2.236 7.691 -1.848) 8.220 4.844 ( -4.000 1.501 -1.395) 4.495 4.946 ( 5.758 -0.381 4.703) 7.444 5.425 ( 1.972 1.234 4.692) 5.237 5.479 ( 0.056 0.847 -4.432) 4.512 5.954 ( 4.464 9.827 6.789) 12.750 6.169 ( 4.776 7.714 -7.853) 11.999 6.300 ( 1.409 4.421 5.214) 6.980 6.446 ( 0.448 -0.963 -8.888) 8.952 6.655 ( 0.502 -2.079 4.977) 5.417 6.877 ( 8.894 4.716 0.244) 10.070 7.039 ( -9.615 -3.938 -1.892) 10.561 7.376 ( 1.383 6.468 2.192) 6.968 7.456 ( 5.975 6.019 -0.639) 8.505 7.623 ( 10.561 10.814 -4.714) 15.833 8.205 ( -3.287 -7.256 1.611) 8.127 8.217 ( 0.963 -5.660 4.213) 7.122 8.511 ( -1.444 12.814 1.755) 13.014 8.682 ( -0.446 11.253 -9.404) 14.672 9.059 ( 5.215 3.718 2.294) 6.803 9.226 ( 6.234 -0.285 -4.628) 7.769 9.684 ( 0.274 8.112 12.691) 15.065 9.847 ( -8.641 4.633 -17.043) 19.661 10.938 ( -7.076 -7.967 13.401) 17.121 11.287 ( -2.757 -5.726 -12.069) 13.640 11.584 ( -8.598 -4.781 9.178) 13.454 11.830 ( -10.688 -7.108 -6.223) 14.264 12.294 ( 15.967 -2.353 8.536) 18.258 12.516 ( 10.292 -3.888 -0.510) 11.014 12.763 ( 4.146 4.245 2.226) 6.337 12.832 ( 0.121 2.966 -8.330) 8.843 15.473 ( -5.546 11.141 -0.784) 12.469 15.593 ( 3.954 12.780 2.006) 13.527 15.813 ( -4.276 3.420 -1.090) 5.583 15.913 ( 0.913 5.506 1.144) 5.697 16.266 ( 8.065 2.346 19.663) 21.382 16.637 ( 3.749 0.285 -16.331) 16.758 16.993 ( -7.829 -4.816 0.194) 9.194 17.057 ( -4.812 -4.879 -1.251) 6.966 20.904 ( 4.353 2.536 2.416) 5.587 20.991 ( 5.925 4.291 -2.236) 7.649 23.184 ( -1.215 -4.439 2.587) 5.280 23.290 ( 0.142 -4.050 -5.823) 7.094 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 6.005 7.418 -6.338) 11.457 2.111 ( 2.677 4.939 11.286) 12.607 2.266 ( 8.810 0.464 11.003) 14.103 2.371 ( 6.127 11.638 -10.411) 16.775 2.668 ( -3.511 -3.383 -2.381) 5.425 2.767 ( -2.249 -2.808 4.290) 5.599 2.869 ( -2.682 -6.456 2.554) 7.443 2.895 ( -4.065 -8.445 -3.329) 9.946 3.249 ( -6.746 -7.592 -5.423) 11.513 3.327 ( -7.665 -5.560 4.906) 10.665 3.552 ( 1.347 -8.760 -0.155) 8.864 3.647 ( 3.610 -9.994 -0.769) 10.654 3.913 ( -5.618 5.533 -0.903) 7.937 4.041 ( -9.651 8.115 -1.672) 12.719 4.180 ( -2.513 13.147 -6.165) 14.736 4.213 ( 1.963 13.439 -2.278) 13.771 4.568 ( -2.073 5.498 -1.098) 5.977 4.753 ( 2.072 2.655 3.981) 5.214 4.810 ( 1.266 7.947 7.319) 10.877 5.032 ( -0.188 1.305 -0.912) 1.603 5.365 ( -0.389 4.872 -5.737) 7.536 5.591 ( 4.823 -2.527 7.326) 9.128 6.011 ( -1.825 6.861 -4.567) 8.442 6.252 ( 8.581 3.761 4.190) 10.263 6.290 ( 0.492 5.060 -6.596) 8.328 6.418 ( 0.780 -5.286 -1.075) 5.450 6.688 ( -13.724 -11.001 -6.775) 18.849 6.755 ( -2.452 -3.617 10.493) 11.366 7.139 ( 8.442 9.343 2.130) 12.770 7.386 ( 2.728 7.596 -2.366) 8.410 7.575 ( 6.423 14.916 3.806) 16.680 7.779 ( 14.389 10.448 -6.242) 18.846 8.105 ( -4.211 -7.061 -6.411) 10.426 8.191 ( -1.517 -3.999 -5.169) 6.709 8.532 ( 1.672 7.390 1.873) 7.805 8.763 ( 6.422 10.309 9.551) 15.451 9.236 ( 9.342 1.128 5.353) 10.826 9.306 ( 9.234 2.879 -0.862) 9.711 9.513 ( -8.898 9.087 -12.743) 18.004 9.827 ( -0.150 8.680 12.463) 15.189 10.911 ( -12.066 -7.948 0.824) 14.472 11.035 ( -8.553 -4.939 -4.500) 10.853 11.573 ( -7.074 -8.293 -8.431) 13.780 11.657 ( -3.988 -6.924 11.607) 14.092 12.608 ( 12.896 -3.101 1.904) 13.399 12.698 ( 12.898 -3.595 2.212) 13.571 12.749 ( 2.283 4.689 -8.470) 9.947 12.851 ( 2.627 3.042 3.748) 5.495 15.380 ( -4.302 5.721 -1.090) 7.240 15.641 ( -0.962 8.680 1.699) 8.897 15.778 ( 2.785 3.037 -1.409) 4.355 15.939 ( 2.742 4.849 -1.868) 5.875 16.528 ( 4.429 -0.200 -14.695) 15.349 16.585 ( 6.921 0.281 11.564) 13.480 16.832 ( -9.815 -6.994 0.645) 12.070 16.948 ( -8.743 -6.419 0.785) 10.875 21.001 ( 6.872 1.279 0.175) 6.992 21.114 ( 7.622 3.748 2.176) 8.768 23.176 ( -1.422 -4.060 -0.121) 4.303 23.259 ( -0.421 -3.025 0.672) 3.127 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 8.445 8.940 -6.642) 13.977 2.206 ( 4.553 6.899 -12.702) 15.155 2.302 ( 1.714 2.691 7.394) 8.053 2.561 ( 3.036 0.178 10.550) 10.980 2.608 ( -1.043 -4.089 -2.545) 4.928 2.776 ( -4.325 -3.939 -2.474) 6.351 2.830 ( -1.814 -2.694 8.906) 9.480 2.884 ( -1.589 -6.480 4.919) 8.289 3.046 ( -8.210 -4.496 -6.248) 11.254 3.214 ( -12.675 -0.902 4.726) 13.558 3.516 ( -6.170 -1.993 0.977) 6.557 3.613 ( -5.172 -1.644 -1.371) 5.597 3.882 ( 6.499 -6.522 -3.494) 9.848 3.941 ( -1.759 -5.459 0.626) 5.770 4.109 ( 8.117 10.765 -13.947) 19.398 4.286 ( 8.302 10.812 -3.654) 14.113 4.471 ( -3.596 1.094 -7.002) 7.947 4.750 ( -1.222 1.799 0.664) 2.274 4.953 ( -2.272 8.580 -4.796) 10.089 5.004 ( 1.088 -0.876 8.622) 8.735 5.345 ( 3.941 9.774 -1.722) 10.678 5.756 ( 4.198 -4.740 8.988) 10.994 5.901 ( -4.214 4.382 -4.119) 7.344 6.168 ( -7.216 -1.082 -7.334) 10.346 6.322 ( -4.012 -2.675 -3.716) 6.088 6.416 ( -1.269 -8.874 -4.010) 9.821 6.492 ( 1.336 -1.317 4.676) 5.038 6.867 ( -0.090 -1.549 10.432) 10.547 7.161 ( -3.520 8.372 -4.328) 10.061 7.421 ( 1.417 7.368 1.199) 7.598 7.732 ( 10.573 16.429 -0.373) 19.540 7.854 ( -0.498 7.638 -3.051) 8.240 7.966 ( 1.463 -0.558 -10.627) 10.742 8.196 ( 8.102 -0.504 -3.324) 8.772 8.579 ( 0.985 2.203 2.600) 3.548 8.957 ( 4.415 15.538 6.699) 17.487 9.352 ( 6.327 -0.533 -0.900) 6.413 9.385 ( 5.556 10.889 -1.793) 12.355 9.595 ( 13.227 -2.401 11.460) 17.665 9.950 ( 0.178 8.015 9.476) 12.412 10.600 ( -12.548 -6.370 -12.085) 18.550 10.919 ( -13.243 -4.819 5.019) 14.960 11.397 ( -1.371 -8.509 -8.183) 11.885 11.708 ( -5.887 -6.627 7.699) 11.741 12.694 ( 5.163 3.813 -5.036) 8.158 12.785 ( 9.659 -2.217 -3.656) 10.563 12.917 ( 0.954 1.342 6.541) 6.745 12.961 ( 10.243 -2.235 4.332) 11.344 15.328 ( -0.218 -1.072 -1.502) 1.858 15.646 ( 0.631 0.536 1.283) 1.527 15.816 ( 2.193 2.265 -1.361) 3.434 15.964 ( 4.912 3.159 -4.182) 7.183 16.434 ( -0.168 -4.289 -9.531) 10.453 16.549 ( -5.437 -7.787 -9.013) 13.093 16.815 ( -7.675 -5.697 1.500) 9.675 16.903 ( 2.537 0.283 10.642) 10.944 21.121 ( 6.660 -0.143 1.402) 6.807 21.240 ( 4.791 1.649 2.278) 5.555 23.161 ( 0.301 -2.189 -0.267) 2.226 23.274 ( -2.003 -2.452 4.962) 5.886 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 5.387 4.679 -11.148) 13.236 2.161 ( 7.288 6.970 -7.200) 12.391 2.396 ( -2.585 -0.554 4.737) 5.425 2.534 ( -0.857 -2.485 -6.363) 6.885 2.644 ( -5.441 -0.369 3.940) 6.727 2.675 ( -2.201 -2.619 2.946) 4.515 2.827 ( -1.265 -0.390 3.018) 3.296 2.939 ( 0.328 -2.604 2.900) 3.911 3.013 ( -0.423 0.744 5.049) 5.121 3.059 ( -13.496 0.649 4.730) 14.316 3.408 ( -4.216 0.245 -2.153) 4.740 3.520 ( -7.750 -1.782 2.275) 8.271 3.891 ( -0.675 -6.202 -7.453) 9.720 3.977 ( 9.423 -10.520 -5.741) 15.245 4.153 ( 6.960 3.710 -13.824) 15.916 4.262 ( 12.491 -5.593 -11.112) 17.629 4.464 ( 0.495 -1.072 5.105) 5.240 4.743 ( -1.880 6.299 1.514) 6.745 4.849 ( -1.010 9.210 -5.109) 10.581 5.050 ( -2.686 -4.620 3.182) 6.220 5.399 ( 0.539 12.616 1.827) 12.759 5.783 ( -6.737 1.089 0.739) 6.864 5.889 ( -0.929 -7.508 6.168) 9.761 6.008 ( -0.971 -3.281 -4.837) 5.925 6.214 ( 1.543 0.837 -11.881) 12.010 6.329 ( -7.130 -7.279 3.346) 10.725 6.626 ( 5.113 1.769 5.163) 7.478 6.906 ( -5.816 -0.409 -1.613) 6.050 7.068 ( 2.889 5.489 -0.150) 6.205 7.446 ( -1.825 6.445 3.964) 7.783 7.785 ( -2.897 6.902 0.154) 7.486 7.876 ( 6.303 11.018 0.459) 12.702 7.901 ( 4.096 -0.501 -10.430) 11.216 8.282 ( 6.745 4.118 -6.058) 9.958 8.652 ( 3.071 4.198 5.858) 7.834 9.033 ( 0.162 17.334 0.892) 17.357 9.424 ( 1.982 0.608 1.370) 2.484 9.570 ( 13.491 8.799 2.345) 16.276 9.869 ( 5.455 -5.843 5.095) 9.479 10.046 ( 0.136 10.453 7.973) 13.147 10.360 ( -1.870 -6.956 -5.036) 8.788 10.723 ( -13.488 -5.894 1.010) 14.754 11.335 ( 0.949 -7.151 -4.872) 8.705 11.626 ( -8.894 -3.886 -0.007) 9.706 12.763 ( 5.740 2.426 0.920) 6.299 12.890 ( 8.206 -2.535 -3.042) 9.111 12.980 ( -0.791 2.540 6.273) 6.814 13.137 ( 5.321 -2.552 4.026) 7.143 15.347 ( 4.982 -7.095 -1.714) 8.837 15.692 ( 2.753 -3.158 0.210) 4.195 15.794 ( -2.801 -6.798 -0.546) 7.373 16.001 ( 4.198 0.250 -2.673) 4.983 16.298 ( -6.132 -10.403 -4.975) 13.061 16.379 ( -1.694 -6.628 -11.117) 13.053 16.768 ( 1.621 0.705 -0.559) 1.854 16.999 ( -2.136 1.901 5.117) 5.861 21.224 ( 3.420 -2.557 2.235) 4.820 21.312 ( 2.101 -0.950 1.111) 2.559 23.189 ( 2.320 -0.528 1.746) 2.951 23.296 ( -3.173 -1.512 5.953) 6.913 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 2.838 -1.377 -4.834) 5.772 2.196 ( 4.897 3.420 -3.724) 7.039 2.302 ( -6.103 4.382 -1.260) 7.618 2.418 ( -1.592 -2.131 -9.044) 9.426 2.707 ( 2.317 -0.957 -1.439) 2.891 2.728 ( 6.426 0.258 6.585) 9.204 2.844 ( -4.079 1.852 4.328) 6.228 2.892 ( -9.707 3.604 4.550) 11.310 2.983 ( -0.668 -2.438 0.825) 2.659 3.007 ( -0.936 -0.248 -0.209) 0.991 3.309 ( -4.566 -1.205 -4.290) 6.380 3.462 ( 0.231 -2.562 -1.707) 3.087 3.779 ( -1.719 -5.693 -7.044) 9.218 3.922 ( 1.684 -4.123 -13.908) 14.603 4.194 ( 12.629 -13.964 -4.094) 19.268 4.369 ( -8.069 -10.325 -2.178) 13.284 4.522 ( 12.024 -6.063 3.277) 13.859 4.713 ( -4.992 8.788 2.910) 10.518 4.845 ( 1.357 6.862 -1.759) 7.213 4.984 ( -4.290 0.439 -2.574) 5.022 5.448 ( -0.861 12.354 10.120) 15.993 5.741 ( 3.330 -0.455 -0.931) 3.487 5.892 ( -6.885 -0.984 3.913) 7.980 5.966 ( -0.654 -9.113 -1.746) 9.302 6.114 ( 3.051 0.522 -11.601) 12.007 6.291 ( -1.198 5.097 1.153) 5.361 6.673 ( -2.397 -6.482 -3.144) 7.593 6.815 ( -1.545 1.853 1.856) 3.044 7.217 ( 8.528 2.490 7.459) 11.601 7.445 ( -5.117 5.894 5.256) 9.410 7.773 ( -0.611 5.400 2.322) 5.909 7.859 ( 3.195 -3.236 -6.611) 8.024 7.957 ( 6.048 9.511 -3.808) 11.896 8.226 ( -1.760 1.748 -11.919) 12.174 8.794 ( 5.220 8.452 6.461) 11.850 9.001 ( -2.365 12.751 -1.548) 13.061 9.448 ( -2.085 3.034 4.090) 5.503 9.728 ( 4.306 5.586 -3.214) 7.751 9.903 ( -3.040 6.214 3.009) 7.544 10.063 ( -1.927 11.374 0.561) 11.549 10.481 ( 11.458 -10.965 4.577) 16.506 10.587 ( -6.426 -8.563 4.208) 11.504 11.269 ( -5.886 -4.711 -1.777) 7.745 11.494 ( -0.645 -2.628 -6.439) 6.985 12.844 ( -0.179 0.747 3.805) 3.881 12.965 ( 4.909 -3.012 -2.635) 6.333 13.055 ( 1.621 3.652 6.716) 7.814 13.214 ( 0.200 -1.294 2.186) 2.548 15.444 ( 8.708 -10.778 -1.109) 13.901 15.617 ( -8.512 -8.226 -1.645) 11.951 15.841 ( 6.938 -9.943 0.425) 12.132 16.008 ( -4.750 -10.099 2.211) 11.377 16.154 ( -1.545 -5.381 -7.462) 9.329 16.270 ( 1.412 -5.842 -8.635) 10.521 16.837 ( 7.129 4.533 -0.549) 8.466 16.953 ( -7.272 3.981 0.971) 8.347 21.272 ( -0.591 -4.310 2.571) 5.053 21.342 ( 1.204 -3.211 0.009) 3.429 23.267 ( 3.901 0.111 3.028) 4.939 23.300 ( -4.039 -0.444 5.047) 6.480 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -15.323 3.059 -2.271) 15.790 2.166 ( -6.765 -0.974 -3.046) 7.482 2.280 ( 5.839 -1.560 -4.140) 7.326 2.418 ( 10.950 0.321 -0.745) 10.980 2.675 ( -1.292 4.452 -5.354) 7.082 2.768 ( 1.253 1.730 0.118) 2.140 2.843 ( -0.957 0.627 3.920) 4.084 2.954 ( 7.129 -4.068 3.920) 9.096 2.982 ( -1.209 -0.693 -0.783) 1.599 3.080 ( 8.247 0.166 5.059) 9.676 3.245 ( 0.312 -1.068 -1.977) 2.269 3.397 ( 2.377 -0.477 -12.924) 13.149 3.728 ( -0.665 -5.914 0.397) 5.964 3.834 ( 2.881 -4.504 -7.637) 9.322 4.106 ( -16.975 -12.792 -1.026) 21.281 4.360 ( 0.717 -14.090 -2.310) 14.296 4.531 ( -8.963 -2.012 2.882) 9.627 4.756 ( 2.937 5.348 6.437) 8.869 4.866 ( 6.426 4.373 -1.912) 8.005 4.935 ( 1.801 9.359 -4.946) 10.738 5.552 ( -2.090 2.420 11.857) 12.281 5.730 ( -11.703 4.767 -2.213) 12.829 5.871 ( 6.855 -0.143 -1.609) 7.043 5.983 ( 7.040 -5.106 2.616) 9.082 6.069 ( 2.313 -2.591 -5.995) 6.928 6.304 ( 6.609 5.443 -6.835) 10.955 6.615 ( -4.585 -5.619 6.051) 9.445 6.799 ( -1.051 0.271 -3.063) 3.249 7.343 ( -8.978 0.838 4.735) 10.185 7.495 ( 7.115 4.310 8.974) 12.236 7.784 ( -2.181 4.579 -1.614) 5.323 7.845 ( 2.164 -0.096 -4.258) 4.778 7.975 ( 0.209 4.754 -4.713) 6.698 8.036 ( 1.235 0.754 -10.518) 10.617 8.898 ( -0.517 11.404 2.527) 11.692 8.977 ( 3.128 8.001 -1.686) 8.755 9.463 ( -4.419 4.548 5.620) 8.473 9.689 ( -1.546 0.511 -1.720) 2.368 9.809 ( -11.310 17.996 2.996) 21.465 10.096 ( 3.506 5.221 1.226) 6.407 10.559 ( -3.706 -8.983 3.077) 10.193 10.676 ( 6.579 -7.110 -0.569) 9.704 11.161 ( -4.818 -2.731 3.315) 6.455 11.494 ( 9.311 -4.131 -7.065) 12.397 12.834 ( -6.106 0.837 3.900) 7.293 12.979 ( -0.342 -3.275 -2.192) 3.956 13.153 ( 1.313 2.697 5.347) 6.130 13.204 ( -2.359 0.110 0.160) 2.367 15.422 ( -9.146 -9.853 -0.650) 13.459 15.623 ( 9.819 -8.444 -2.041) 13.110 15.901 ( -5.858 -18.957 0.901) 19.862 15.937 ( 1.569 -3.637 0.671) 4.018 16.105 ( 0.155 -0.739 -4.294) 4.360 16.226 ( 5.289 -9.936 -7.072) 13.294 16.823 ( -8.638 5.239 0.238) 10.105 16.959 ( 7.895 4.640 0.291) 9.162 21.273 ( -2.638 -3.362 2.838) 5.129 21.350 ( 0.068 -4.573 -0.433) 4.594 23.278 ( -4.357 0.330 3.034) 5.320 23.367 ( 4.437 -0.378 2.571) 5.142 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -17.632 9.877 2.441) 20.357 1.963 ( -12.552 2.732 -2.909) 13.171 2.373 ( 8.934 -4.018 -1.366) 9.891 2.624 ( 4.125 -0.449 5.255) 6.696 2.665 ( 13.280 -2.834 -5.592) 14.686 2.861 ( -0.713 -0.958 11.516) 11.578 2.918 ( -1.454 0.885 -4.077) 4.418 2.934 ( 9.301 2.887 0.866) 9.777 3.081 ( 7.740 -5.364 -1.350) 9.514 3.165 ( 0.199 -1.583 -8.992) 9.132 3.258 ( 7.286 0.873 -1.785) 7.552 3.433 ( 9.749 1.978 1.853) 10.119 3.699 ( -6.123 3.967 -1.554) 7.459 3.818 ( -6.901 -7.996 1.044) 10.613 3.854 ( -7.285 -9.269 -0.090) 11.789 4.083 ( -17.145 -8.051 -1.215) 18.980 4.634 ( 5.791 4.611 3.173) 8.054 4.820 ( 0.942 7.212 -1.931) 7.526 4.863 ( -1.233 13.788 0.543) 13.853 4.982 ( 4.039 -5.710 0.347) 7.003 5.484 ( -12.029 2.976 -2.810) 12.707 5.689 ( 2.134 -1.576 9.725) 10.080 5.903 ( 3.457 -7.415 -1.399) 8.300 6.030 ( 1.365 1.554 -4.307) 4.778 6.200 ( 11.386 1.457 -3.561) 12.019 6.334 ( 4.981 -3.742 -2.064) 6.563 6.642 ( -4.425 -4.792 5.092) 8.275 6.753 ( 2.132 2.070 0.095) 2.973 7.182 ( -10.677 0.366 -2.632) 11.003 7.580 ( -11.297 10.367 -5.760) 16.379 7.676 ( 2.180 6.418 6.549) 9.425 7.855 ( 1.256 5.784 -0.809) 5.973 7.960 ( 4.105 -3.537 -5.883) 7.998 8.046 ( 3.187 2.201 0.513) 3.907 8.871 ( -2.031 5.887 -1.397) 6.382 9.019 ( 2.989 11.844 -1.685) 12.331 9.354 ( -12.860 -0.113 1.899) 13.000 9.651 ( -13.205 11.570 5.837) 18.501 9.738 ( 4.976 6.132 0.794) 7.937 10.196 ( 3.026 0.332 7.045) 7.674 10.503 ( -2.994 -6.005 -0.649) 6.741 10.659 ( -0.079 -0.194 -8.239) 8.242 11.242 ( 6.648 -4.386 5.313) 9.574 11.606 ( 11.573 -5.348 -3.408) 13.197 12.748 ( -9.842 0.243 3.465) 10.437 12.889 ( -7.707 -2.131 -2.637) 8.420 13.161 ( -1.799 0.243 -1.240) 2.198 13.193 ( -2.371 0.875 2.439) 3.512 15.297 ( -5.209 -6.247 -0.522) 8.150 15.665 ( -2.457 -3.065 0.539) 3.965 15.833 ( -4.089 -5.407 -3.235) 7.512 15.992 ( -5.123 -4.032 1.272) 6.643 16.022 ( 5.626 -6.242 -1.899) 8.615 16.281 ( 6.873 -9.526 -3.428) 12.236 16.743 ( -0.862 0.422 1.403) 1.700 17.075 ( 5.874 3.051 0.348) 6.629 21.255 ( -3.508 -0.545 2.497) 4.340 21.331 ( -1.974 -3.674 -0.328) 4.183 23.235 ( -3.700 0.357 0.939) 3.834 23.452 ( 3.926 -1.496 0.507) 4.232 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -11.325 17.094 14.686) 25.222 1.754 ( -13.420 8.734 3.507) 16.391 2.492 ( 6.837 -4.260 -1.267) 8.155 2.725 ( 7.889 -3.584 -1.439) 8.784 2.792 ( 2.956 -2.130 -5.505) 6.601 2.847 ( 5.859 -5.860 -1.257) 8.381 2.955 ( 1.974 0.425 -2.280) 3.046 3.079 ( 2.277 -0.973 -8.254) 8.618 3.181 ( 6.017 -5.175 -1.118) 8.014 3.202 ( 7.607 1.291 14.138) 16.107 3.315 ( -5.662 1.933 -1.958) 6.295 3.393 ( -18.023 13.535 8.261) 24.006 3.597 ( 5.852 2.829 2.350) 6.912 3.702 ( -5.989 -0.174 5.397) 8.064 3.856 ( 1.184 -7.424 -0.850) 7.565 4.012 ( 6.787 -5.600 -2.271) 9.087 4.697 ( -5.366 4.604 -11.053) 13.121 4.742 ( 2.939 10.393 4.336) 11.638 4.872 ( 2.824 7.706 0.072) 8.207 5.072 ( 0.886 -0.346 6.054) 6.128 5.292 ( -8.940 4.664 -2.311) 10.344 5.819 ( 0.116 -2.792 6.463) 7.041 5.977 ( 5.296 -9.206 0.531) 10.634 6.033 ( 5.177 -2.962 -1.736) 6.212 6.195 ( 2.821 0.653 -9.010) 9.464 6.418 ( -0.336 -0.641 4.832) 4.886 6.565 ( -6.234 -7.534 1.163) 9.848 6.868 ( 5.099 4.744 2.346) 7.349 7.042 ( -1.249 3.338 -0.856) 3.665 7.348 ( -12.503 10.655 -2.096) 16.560 7.745 ( 1.436 9.996 1.513) 10.212 7.847 ( -2.568 5.668 -0.951) 6.294 7.925 ( -0.429 8.222 -3.926) 9.121 8.085 ( -0.305 -4.790 0.819) 4.869 8.826 ( 1.088 1.494 -4.541) 4.903 8.980 ( -7.043 12.859 -0.548) 14.671 9.214 ( -6.255 2.421 2.585) 7.188 9.502 ( -10.673 8.899 1.856) 14.020 9.869 ( 8.095 0.680 4.868) 9.470 10.163 ( -10.327 -11.242 -2.533) 15.473 10.551 ( 3.008 6.544 -12.754) 14.647 10.648 ( 11.047 -1.599 13.082) 17.197 11.407 ( 9.892 -4.315 -1.302) 10.870 11.765 ( 9.986 -6.283 0.852) 11.829 12.599 ( -13.872 -2.507 3.028) 14.418 12.698 ( -11.941 0.863 -2.284) 12.188 13.105 ( -5.015 -0.620 -1.490) 5.269 13.140 ( -3.515 -0.483 -1.829) 3.991 15.256 ( 0.040 -0.502 0.529) 0.731 15.649 ( -0.081 1.441 2.086) 2.537 15.709 ( -8.966 -0.577 1.688) 9.142 15.844 ( -8.278 -0.227 -1.765) 8.467 16.086 ( -2.963 4.311 0.150) 5.233 16.411 ( 13.250 -11.865 0.807) 17.805 16.829 ( 8.358 -6.037 0.991) 10.358 17.138 ( 2.469 0.918 -1.266) 2.923 21.201 ( -5.625 1.708 -0.357) 5.890 21.285 ( -3.977 -0.245 0.615) 4.032 23.190 ( -2.142 -0.490 -0.420) 2.237 23.495 ( 2.804 -2.709 -2.349) 4.552 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -7.148 20.357 17.274) 27.639 1.642 ( -10.494 15.310 11.569) 21.872 2.538 ( 2.476 -4.183 -3.952) 6.265 2.766 ( 4.462 -2.677 -6.417) 8.261 2.792 ( 0.232 -3.811 -0.543) 3.856 2.836 ( -10.614 9.472 -4.560) 14.939 2.887 ( -8.403 5.700 0.599) 10.172 3.045 ( 8.798 -7.634 0.825) 11.678 3.131 ( -3.520 -3.467 5.272) 7.225 3.228 ( 2.595 3.675 -6.841) 8.187 3.371 ( 1.906 -5.041 7.214) 9.005 3.520 ( 6.164 -0.528 2.215) 6.571 3.706 ( 1.847 8.228 7.976) 11.607 3.802 ( -1.560 3.066 13.178) 13.619 3.875 ( 8.715 -3.075 1.969) 9.449 4.116 ( 7.070 -2.382 -2.565) 7.889 4.518 ( -0.478 4.843 -7.541) 8.975 4.751 ( -4.187 7.886 1.245) 9.015 5.009 ( 7.896 6.601 -0.154) 10.292 5.090 ( -1.208 1.396 -0.646) 1.956 5.162 ( -4.498 7.812 2.718) 9.415 5.756 ( -8.259 2.530 -3.278) 9.239 6.008 ( -1.473 -5.558 -3.670) 6.822 6.135 ( 6.252 -7.675 4.461) 10.858 6.266 ( 5.620 -3.843 3.921) 7.857 6.410 ( -4.220 4.137 1.452) 6.085 6.530 ( 2.492 -6.034 1.128) 6.626 6.925 ( -5.009 14.111 8.107) 17.027 7.047 ( -0.351 1.475 -3.044) 3.400 7.208 ( -0.957 5.451 1.472) 5.727 7.679 ( -14.605 5.269 -2.766) 15.770 7.755 ( -0.948 19.449 -0.713) 19.485 7.932 ( 3.832 3.908 -0.358) 5.485 8.065 ( -1.409 -6.267 -1.096) 6.516 8.799 ( 2.972 -4.180 -8.888) 10.262 8.909 ( -2.098 12.492 6.775) 14.365 9.160 ( -2.610 10.605 -1.067) 10.973 9.364 ( -6.446 5.420 -1.884) 8.630 9.829 ( -8.279 -8.272 -15.130) 19.129 10.192 ( 8.897 -6.538 11.036) 15.611 10.470 ( 0.740 4.149 -4.333) 6.045 11.007 ( 14.375 -0.422 11.382) 18.340 11.498 ( 8.523 -4.623 -8.254) 12.733 11.912 ( 5.526 -8.997 0.927) 10.599 12.395 ( -15.457 -2.040 5.567) 16.555 12.504 ( -11.554 3.155 1.366) 12.055 12.944 ( -9.938 -0.484 -4.647) 10.981 13.073 ( -1.717 -1.514 -3.606) 4.272 15.301 ( 3.628 5.775 1.728) 7.035 15.621 ( -7.539 0.346 7.613) 10.720 15.723 ( -5.676 1.348 3.520) 6.813 15.731 ( 6.697 6.212 -0.665) 9.158 15.993 ( -8.882 10.372 2.682) 13.916 16.653 ( 14.368 -9.962 1.026) 17.514 16.971 ( 7.235 -4.853 0.119) 8.713 17.125 ( 0.592 -1.495 -4.425) 4.708 21.066 ( -8.550 3.442 -3.116) 9.730 21.212 ( -5.911 2.799 -0.263) 6.545 23.163 ( -0.511 -1.829 -0.696) 2.022 23.488 ( 1.575 -3.722 -5.038) 6.459 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.22 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -8.168 19.371 12.204) 24.309 1.658 ( -9.194 18.312 15.764) 25.853 2.501 ( 1.398 -0.017 -7.750) 7.875 2.629 ( -4.572 -4.769 -13.357) 14.902 2.776 ( -3.268 6.362 9.640) 12.003 2.803 ( 2.685 0.195 -2.459) 3.646 2.856 ( -1.056 11.019 11.755) 16.147 3.110 ( -0.903 1.907 -5.425) 5.820 3.145 ( 2.159 -2.336 -3.760) 4.925 3.251 ( 4.847 -11.142 5.041) 13.155 3.417 ( -3.685 -2.761 2.936) 5.461 3.585 ( 3.802 -9.243 -3.340) 10.538 3.761 ( -0.003 -8.868 -0.430) 8.878 3.956 ( 6.728 10.425 9.407) 15.570 4.120 ( 4.282 5.648 14.084) 15.767 4.224 ( 7.887 1.849 8.005) 11.389 4.532 ( 5.358 9.789 -2.044) 11.346 4.695 ( -5.329 3.004 3.629) 7.113 4.960 ( -5.256 10.074 -4.191) 12.111 5.072 ( 0.292 3.701 -0.903) 3.821 5.266 ( 6.537 4.392 1.623) 8.041 5.586 ( -5.976 2.965 -3.764) 7.659 5.935 ( -1.072 -1.010 -3.470) 3.770 6.193 ( -6.820 6.706 -0.085) 9.565 6.348 ( 0.132 -1.383 2.574) 2.925 6.354 ( 2.059 -5.097 2.876) 6.204 6.613 ( -4.055 6.251 3.123) 8.079 6.923 ( 8.789 3.024 2.439) 9.609 7.125 ( 0.839 3.353 6.182) 7.083 7.152 ( -6.039 3.380 -6.582) 9.550 7.447 ( -9.498 4.340 1.483) 10.547 7.719 ( -2.167 22.825 -1.344) 22.967 8.009 ( 3.566 -2.545 3.339) 5.508 8.046 ( 0.920 -4.959 0.784) 5.104 8.732 ( 0.200 -3.713 -7.805) 8.646 8.985 ( -0.124 2.698 4.340) 5.112 9.079 ( -3.089 19.092 -8.633) 21.180 9.310 ( 3.272 3.512 -1.954) 5.183 9.530 ( -6.768 -5.529 -11.745) 14.639 10.272 ( 2.641 -0.003 -12.476) 12.752 10.624 ( 5.161 -4.318 18.458) 19.646 11.275 ( 6.423 -1.451 4.228) 7.826 11.549 ( 9.829 -4.461 -4.312) 11.623 11.928 ( -0.651 -9.900 -1.099) 9.982 12.268 ( -12.104 -1.717 4.771) 13.123 12.401 ( -7.360 3.883 9.076) 12.314 12.736 ( -5.533 0.943 -7.597) 9.445 13.001 ( -1.528 -1.044 -4.830) 5.172 15.389 ( 3.857 10.301 2.907) 11.377 15.630 ( -3.719 3.661 5.411) 7.517 15.703 ( 1.833 4.640 4.571) 6.767 15.864 ( 3.599 5.207 2.634) 6.856 15.911 ( -5.878 10.265 7.014) 13.752 16.833 ( 7.052 -5.027 -3.404) 9.305 16.999 ( 0.540 -2.091 -2.445) 3.263 17.124 ( 4.597 -3.886 -3.235) 6.833 20.898 ( -7.590 5.168 -2.003) 9.399 21.098 ( -5.974 3.754 -2.398) 7.452 23.158 ( 0.298 -3.075 0.037) 3.089 23.439 ( 0.596 -4.424 -6.805) 8.139 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -5.482 12.714 5.470) 14.887 2.004 ( -2.488 11.069 10.733) 15.617 2.368 ( -4.255 -1.180 -8.756) 9.807 2.446 ( 3.413 -0.523 -9.533) 10.139 2.700 ( -2.483 -3.742 0.715) 4.547 2.725 ( -0.578 -6.205 -2.904) 6.875 2.891 ( 3.458 -5.724 -8.757) 11.018 2.999 ( 2.051 -5.785 -16.168) 17.294 3.164 ( 3.240 -7.236 5.755) 9.797 3.191 ( -1.469 -5.629 8.494) 10.295 3.358 ( -3.498 -7.954 -0.430) 8.699 3.440 ( 4.002 -5.848 -5.337) 8.872 4.018 ( 0.334 29.991 22.776) 37.661 4.340 ( -0.865 8.167 11.053) 13.770 4.452 ( 1.913 5.414 16.076) 17.070 4.575 ( 5.962 6.503 10.115) 13.422 4.683 ( 1.852 2.162 1.652) 3.291 4.798 ( 0.216 9.872 -0.119) 9.875 4.983 ( -4.647 6.482 -5.674) 9.788 5.037 ( -7.857 2.333 -8.412) 11.745 5.427 ( 0.317 4.612 1.269) 4.794 5.545 ( -0.110 0.191 -3.171) 3.178 5.980 ( 2.893 4.510 3.885) 6.618 6.263 ( 4.022 1.666 0.255) 4.361 6.378 ( -3.696 3.798 4.757) 7.121 6.481 ( 4.674 4.600 1.847) 6.813 6.704 ( -7.848 4.539 0.276) 9.070 6.875 ( -3.080 0.050 -4.152) 5.170 7.137 ( -5.163 -1.805 -0.779) 5.524 7.199 ( 14.190 -4.319 -2.447) 15.033 7.484 ( -0.627 8.069 -0.766) 8.130 7.799 ( 0.882 0.456 -9.757) 9.808 7.988 ( 1.742 -7.141 4.608) 8.676 8.133 ( 2.623 -3.836 -1.241) 4.809 8.659 ( -3.028 8.316 2.879) 9.306 9.056 ( 0.397 4.180 2.702) 4.993 9.143 ( -2.506 -0.732 -10.702) 11.016 9.260 ( -0.805 12.117 -5.415) 13.296 9.691 ( 3.118 10.468 9.774) 14.657 10.125 ( -4.390 -1.346 -6.734) 8.150 10.752 ( -1.473 -2.351 12.364) 12.671 11.218 ( 1.804 -7.776 -7.665) 11.066 11.598 ( 0.606 -3.404 0.764) 3.541 11.816 ( 7.017 -7.878 -5.262) 11.789 12.093 ( -9.576 1.739 6.466) 11.685 12.354 ( -1.082 -3.799 -0.824) 4.035 12.771 ( 3.144 4.754 1.095) 5.803 12.927 ( 0.013 -0.127 -3.541) 3.543 15.662 ( 3.126 6.343 6.890) 9.873 15.736 ( -1.396 4.526 5.501) 7.259 15.945 ( 2.482 7.176 3.192) 8.237 15.997 ( -4.610 5.267 5.268) 8.760 16.156 ( 1.911 12.426 3.563) 13.068 16.720 ( 2.381 -4.662 -11.069) 12.245 16.963 ( -0.401 -3.440 1.585) 3.809 17.045 ( -1.329 -5.029 -2.429) 5.741 20.968 ( -0.316 8.610 0.142) 8.617 21.088 ( -1.087 5.175 -3.744) 6.479 23.096 ( -0.228 -3.267 0.147) 3.279 23.255 ( 0.159 -6.612 -6.887) 9.549 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 3.134 5.863 11.276) 13.090 2.094 ( -1.612 6.320 11.574) 13.285 2.229 ( 0.533 3.670 -7.450) 8.322 2.437 ( 6.432 -2.346 -6.945) 9.752 2.656 ( -4.648 -4.478 1.176) 6.561 2.696 ( -1.270 -5.602 -1.545) 5.948 2.834 ( -0.439 -3.470 -4.792) 5.933 2.875 ( 1.949 -5.431 -11.320) 12.706 3.225 ( -2.699 -5.917 3.858) 7.562 3.246 ( -1.828 -5.671 1.705) 6.197 3.308 ( 0.916 -7.727 -0.071) 7.781 3.448 ( 3.860 -6.369 -4.439) 8.670 4.208 ( -6.103 21.440 13.437) 26.028 4.402 ( -2.518 9.764 8.130) 12.953 4.500 ( -13.112 8.976 0.593) 15.901 4.616 ( -5.318 8.833 1.551) 10.427 4.663 ( -6.907 8.915 -0.096) 11.278 4.814 ( -3.167 2.161 0.646) 3.888 4.889 ( 0.830 3.948 -1.041) 4.166 4.983 ( 11.571 6.088 1.624) 13.175 5.456 ( 0.698 1.710 2.881) 3.422 5.496 ( -0.021 0.941 -3.298) 3.430 6.111 ( 3.796 6.383 7.410) 10.491 6.300 ( -0.866 4.714 -2.683) 5.492 6.370 ( 0.413 -0.192 -1.682) 1.743 6.422 ( -5.892 2.194 -4.601) 7.791 6.601 ( -3.816 -3.472 7.933) 9.462 6.817 ( -14.009 -7.650 -2.948) 16.232 7.120 ( 14.582 9.136 -0.906) 17.232 7.436 ( 12.891 0.255 -4.278) 13.585 7.522 ( 5.769 3.326 3.563) 7.552 7.757 ( 8.883 1.648 -8.696) 12.540 8.036 ( -1.392 -7.952 0.915) 8.125 8.116 ( -0.226 -6.041 -3.534) 7.002 8.713 ( 0.149 9.273 11.366) 14.670 8.950 ( -2.139 8.878 -11.360) 14.575 9.173 ( 5.814 9.028 3.837) 11.403 9.260 ( 6.982 6.798 -3.684) 10.418 9.831 ( -0.346 6.952 10.207) 12.355 9.952 ( -6.166 5.100 -8.438) 11.629 10.817 ( -6.192 -3.520 11.338) 13.390 11.155 ( 0.340 -8.088 -10.894) 13.572 11.491 ( -11.075 -4.611 4.141) 12.691 11.668 ( -12.496 -9.454 -5.558) 16.626 12.270 ( 14.672 -0.125 7.500) 16.478 12.433 ( 10.841 -4.631 -1.689) 11.909 12.840 ( 2.918 3.689 1.946) 5.090 12.886 ( 0.867 2.314 -5.413) 5.950 15.679 ( -7.710 10.027 -1.033) 12.690 15.792 ( 4.438 7.524 4.748) 9.942 15.891 ( -8.490 4.733 -1.298) 9.807 16.012 ( -1.294 4.348 5.122) 6.842 16.338 ( 8.538 5.253 10.905) 14.813 16.623 ( 3.010 -2.026 -13.329) 13.815 16.893 ( -10.370 -5.222 0.062) 11.611 16.951 ( -7.540 -5.926 -0.023) 9.590 20.994 ( 2.161 6.425 0.742) 6.819 21.088 ( 5.129 5.251 -1.465) 7.485 23.100 ( -0.547 -3.914 1.386) 4.188 23.197 ( 1.197 -5.502 -5.018) 7.542 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.601 2.905 7.351) 7.927 2.225 ( 4.882 6.070 -0.777) 7.829 2.281 ( 7.619 1.522 8.578) 11.574 2.492 ( 6.495 -1.359 -3.485) 7.495 2.596 ( -2.949 -3.521 3.451) 5.745 2.651 ( -1.939 -2.999 -2.119) 4.152 2.748 ( -4.049 -5.814 -2.679) 7.575 2.825 ( -1.082 -1.907 -1.155) 2.478 3.139 ( -4.669 -3.384 -7.215) 9.236 3.213 ( -4.579 -5.712 4.860) 8.787 3.374 ( 3.150 -8.497 2.448) 9.387 3.467 ( 3.397 -8.669 -3.317) 9.884 4.077 ( -15.520 10.668 -0.504) 18.840 4.251 ( -16.036 12.625 -1.287) 20.450 4.403 ( 0.397 8.852 -13.567) 16.204 4.459 ( -3.873 10.745 7.679) 13.763 4.651 ( -5.179 1.697 -2.705) 6.084 4.770 ( -2.133 1.128 2.155) 3.235 4.938 ( 0.358 5.840 6.224) 8.543 5.163 ( 6.570 11.111 0.854) 12.936 5.457 ( 1.692 4.475 -2.139) 5.240 5.535 ( 2.214 -3.271 3.664) 5.388 6.106 ( -11.417 0.678 2.809) 11.777 6.232 ( -0.491 -3.844 -3.868) 5.475 6.351 ( 2.476 -0.638 -5.641) 6.194 6.389 ( 1.210 -0.854 -7.248) 7.397 6.509 ( -10.582 -2.033 -2.350) 11.029 6.691 ( -2.753 -3.356 14.354) 14.996 7.333 ( 8.138 10.319 -0.360) 13.147 7.512 ( 5.089 6.349 -2.803) 8.606 7.723 ( 12.656 1.735 3.595) 13.271 7.912 ( 19.127 2.287 -6.776) 20.420 7.970 ( -2.718 -5.558 -3.893) 7.310 8.073 ( -1.052 -6.211 -2.268) 6.695 8.797 ( -1.246 14.956 -5.089) 15.847 8.927 ( 4.271 6.090 13.796) 15.674 9.311 ( 7.959 6.930 -1.424) 10.649 9.382 ( 9.644 5.698 1.929) 11.367 9.716 ( -5.186 10.853 -9.356) 15.239 9.955 ( -1.492 4.035 9.243) 10.195 10.792 ( -12.991 -3.392 4.894) 14.291 10.969 ( -4.787 -1.154 -5.841) 7.640 11.380 ( -9.604 -11.725 -7.603) 16.957 11.495 ( -4.029 -10.049 9.142) 14.170 12.558 ( 12.405 -1.866 1.133) 12.596 12.624 ( 13.401 -3.729 3.368) 14.312 12.839 ( 2.082 4.297 -6.382) 7.971 12.903 ( 2.215 2.171 2.244) 3.828 15.512 ( -10.538 7.950 -1.567) 13.293 15.741 ( -8.585 2.646 -0.091) 8.984 15.882 ( 2.329 6.265 0.741) 6.725 16.025 ( 0.661 3.733 -1.645) 4.133 16.482 ( -4.488 -4.258 -5.638) 8.370 16.581 ( 5.257 -1.330 -4.747) 7.207 16.735 ( -5.376 -2.685 6.788) 9.066 16.821 ( -8.875 -6.103 1.951) 10.946 21.052 ( 4.211 3.964 0.605) 5.815 21.179 ( 4.956 2.551 1.466) 5.763 23.106 ( 0.140 -2.937 0.566) 2.994 23.189 ( 0.914 -4.104 0.274) 4.214 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 3.415 3.258 -1.100) 4.846 2.304 ( 4.381 5.546 1.183) 7.166 2.374 ( 0.739 3.326 -7.237) 7.999 2.515 ( 3.241 -2.979 1.132) 4.545 2.590 ( -0.778 0.895 -1.956) 2.288 2.661 ( -5.310 -5.877 2.161) 8.210 2.775 ( 5.775 -4.249 13.483) 15.271 2.808 ( -2.888 -1.865 4.492) 5.657 2.979 ( -3.323 -1.802 -8.213) 9.041 3.192 ( -6.432 -1.567 6.162) 9.045 3.420 ( 0.960 -7.616 -3.051) 8.260 3.482 ( 1.037 -10.169 1.387) 10.316 3.856 ( -9.214 4.429 -1.402) 10.319 3.986 ( -15.577 8.737 -0.527) 17.868 4.293 ( 5.441 6.279 -15.541) 17.623 4.440 ( -5.507 -0.573 -13.725) 14.799 4.474 ( -6.947 3.285 5.348) 9.362 4.809 ( 0.550 0.850 5.705) 5.794 4.945 ( -4.001 4.115 1.462) 5.923 5.200 ( 0.492 12.356 -4.466) 13.147 5.507 ( 4.198 6.244 2.358) 7.884 5.635 ( 2.995 -8.067 6.192) 10.601 5.953 ( -11.427 0.248 3.669) 12.004 6.072 ( -10.088 -8.271 -8.294) 15.458 6.209 ( 4.604 -4.160 -12.220) 13.705 6.352 ( 0.113 1.619 -3.103) 3.502 6.554 ( 4.809 4.248 3.388) 7.256 6.804 ( -0.755 -4.471 9.644) 10.657 7.329 ( -4.156 9.270 -3.602) 10.779 7.549 ( 1.705 5.641 -1.237) 6.021 7.902 ( -1.906 -1.200 -0.980) 2.456 7.956 ( 2.490 -2.987 -9.165) 9.956 7.960 ( 10.304 8.671 0.915) 13.498 8.212 ( 17.273 1.438 -3.050) 17.599 8.735 ( -0.953 12.994 -0.749) 13.051 9.174 ( 3.179 4.732 15.520) 16.534 9.373 ( 3.726 4.708 -1.291) 6.141 9.576 ( 10.316 0.701 2.206) 10.572 9.652 ( 8.688 14.892 -5.586) 18.124 10.007 ( -1.692 -1.810 5.403) 5.944 10.545 ( -13.339 0.773 -3.062) 13.707 10.883 ( -12.183 2.667 4.363) 13.213 11.196 ( -0.417 -12.537 -6.974) 14.352 11.544 ( -3.484 -10.580 6.998) 13.155 12.701 ( 8.229 -0.560 -2.751) 8.695 12.821 ( 6.490 2.240 -3.692) 7.795 12.885 ( 7.799 -1.711 5.933) 9.948 12.967 ( 2.673 1.020 3.102) 4.219 15.345 ( -7.621 2.955 -1.860) 8.383 15.629 ( -6.079 -1.876 1.017) 6.442 15.853 ( -6.147 0.868 -1.544) 6.397 16.005 ( 0.202 0.063 -3.498) 3.505 16.291 ( -8.171 -6.656 -5.255) 11.776 16.444 ( -3.703 -5.580 -11.906) 13.660 16.759 ( 0.465 0.441 1.011) 1.197 16.901 ( 4.057 -0.763 9.934) 10.758 21.127 ( 3.222 1.002 1.572) 3.722 21.251 ( 1.738 -0.747 1.519) 2.426 23.128 ( 1.618 -1.015 1.170) 2.240 23.221 ( -0.415 -3.090 4.287) 5.301 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.052 3.805 -10.587) 11.250 2.281 ( 1.473 4.760 -4.359) 6.620 2.405 ( 3.085 2.170 3.271) 4.993 2.499 ( 0.273 -0.923 -8.014) 8.072 2.590 ( -1.959 -4.639 0.310) 5.045 2.657 ( 1.401 0.553 4.507) 4.752 2.808 ( -0.103 -0.838 3.374) 3.478 2.902 ( 1.947 0.176 -1.957) 2.766 3.002 ( 1.953 -1.851 10.181) 10.531 3.122 ( -11.190 4.072 5.815) 13.252 3.364 ( -2.092 -5.545 -3.854) 7.070 3.468 ( -5.743 -5.847 0.480) 8.210 3.765 ( -3.011 -4.415 -1.814) 5.644 3.801 ( -2.444 -3.849 -2.218) 5.070 4.119 ( -8.866 -6.582 -17.246) 20.478 4.221 ( 3.556 -3.841 -11.961) 13.056 4.453 ( -5.218 1.064 4.746) 7.133 4.826 ( -4.430 -9.189 1.377) 10.293 4.944 ( -0.279 14.545 5.261) 15.469 5.145 ( 2.202 12.242 -5.518) 13.608 5.567 ( -0.712 3.220 3.234) 4.618 5.729 ( 0.066 -9.064 5.362) 10.532 5.849 ( -6.122 5.149 2.397) 8.351 5.915 ( 0.127 -2.390 -4.971) 5.517 6.199 ( 7.271 -0.987 -8.951) 11.574 6.323 ( 0.375 1.684 -0.853) 1.924 6.630 ( 1.502 -0.196 -0.741) 1.686 6.849 ( -1.828 -4.808 1.146) 5.270 7.211 ( -2.630 9.083 -2.871) 9.882 7.545 ( -2.211 3.564 1.563) 4.476 7.858 ( -1.875 -1.817 -5.289) 5.898 7.886 ( -1.259 2.019 2.433) 3.403 8.090 ( 8.885 10.083 -7.350) 15.318 8.363 ( 8.162 3.300 -8.458) 12.208 8.791 ( 3.957 9.984 6.842) 12.733 9.257 ( -5.081 1.734 1.709) 5.634 9.453 ( 4.068 7.890 3.721) 9.625 9.735 ( 5.869 -3.836 4.912) 8.561 9.838 ( 16.367 12.019 -1.041) 20.332 10.072 ( 6.167 -4.012 2.647) 7.819 10.369 ( -10.701 3.009 4.864) 12.133 10.670 ( -13.767 2.856 -2.310) 14.249 11.180 ( 2.109 -8.526 -2.206) 9.055 11.512 ( -6.466 -8.203 1.610) 10.569 12.786 ( 5.915 0.738 -0.950) 6.037 12.892 ( 5.663 1.607 -1.610) 6.103 13.012 ( 1.602 0.595 5.596) 5.851 13.085 ( 4.950 -2.371 4.740) 7.252 15.249 ( -1.530 -2.695 -1.816) 3.592 15.573 ( -3.093 -9.808 0.519) 10.297 15.676 ( -11.376 -3.674 -1.347) 12.030 15.927 ( -8.610 -8.886 0.021) 12.373 16.170 ( 1.475 -1.178 -7.358) 7.596 16.287 ( 1.120 -3.478 -11.329) 11.904 16.822 ( 5.469 4.433 0.451) 7.054 17.017 ( -0.152 -0.178 5.083) 5.088 21.175 ( 0.545 -2.056 1.742) 2.750 21.269 ( -0.467 -3.381 0.439) 3.441 23.185 ( 2.655 0.141 2.872) 3.913 23.262 ( -1.577 -1.974 5.686) 6.222 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -1.132 -0.566 -6.334) 6.459 2.235 ( -2.197 -0.521 -5.156) 5.628 2.398 ( 3.111 0.340 -11.210) 11.638 2.405 ( -3.713 5.378 -3.580) 7.451 2.643 ( 8.072 -2.144 2.493) 8.716 2.771 ( 5.477 2.821 4.751) 7.780 2.869 ( 0.916 1.129 3.186) 3.502 2.900 ( -4.397 0.096 0.431) 4.419 3.013 ( -4.956 4.182 3.107) 7.190 3.044 ( -4.937 1.984 2.222) 5.766 3.253 ( -5.403 -4.228 -4.102) 7.993 3.393 ( 0.329 -5.314 -3.600) 6.427 3.672 ( -3.028 -4.489 -3.266) 6.324 3.814 ( 2.802 -6.836 -8.273) 11.092 3.909 ( 3.596 -14.567 -4.518) 15.670 4.087 ( -9.385 -16.778 -3.741) 19.585 4.469 ( 4.123 -0.962 0.601) 4.277 4.720 ( -8.352 -10.035 -1.900) 13.193 4.991 ( -1.128 16.019 6.205) 17.216 5.182 ( 5.819 13.940 -1.321) 15.163 5.621 ( -0.105 3.406 6.949) 7.740 5.743 ( -0.165 -0.502 -1.473) 1.565 5.824 ( -3.120 -4.487 6.532) 8.517 5.909 ( 1.703 5.547 -0.798) 5.857 6.155 ( 3.862 2.000 -14.256) 14.905 6.399 ( 2.909 1.797 7.831) 8.545 6.545 ( -3.780 -3.502 -9.453) 10.766 6.820 ( -1.125 -1.956 -0.348) 2.283 7.232 ( 4.582 1.166 2.193) 5.212 7.496 ( -5.552 -1.343 0.042) 5.713 7.820 ( 2.545 1.988 -1.643) 3.623 7.904 ( -0.444 4.091 2.523) 4.827 8.111 ( 5.461 7.249 -7.552) 11.807 8.280 ( -2.335 3.044 -13.161) 13.709 8.962 ( 6.805 8.196 6.108) 12.280 9.151 ( -5.762 2.393 -1.853) 6.508 9.550 ( 0.847 9.132 6.451) 11.213 9.806 ( -0.411 2.292 -0.710) 2.435 10.074 ( 10.817 14.306 -0.083) 17.935 10.260 ( 9.192 -11.328 4.644) 15.309 10.296 ( -7.061 2.066 9.367) 11.911 10.456 ( -7.824 1.399 -2.919) 8.467 11.172 ( -2.344 -5.073 0.277) 5.595 11.411 ( -3.028 -6.082 -3.655) 7.714 12.859 ( 1.979 0.752 1.770) 2.760 12.937 ( 1.768 -0.237 -0.972) 2.031 13.106 ( 2.339 1.665 5.382) 6.100 13.178 ( 0.869 -2.044 3.683) 4.301 15.262 ( 4.865 -7.676 -0.999) 9.142 15.431 ( -9.573 -11.068 -2.253) 14.806 15.640 ( 4.950 -8.712 0.131) 10.021 15.761 ( -11.252 -12.615 0.766) 16.921 16.140 ( 2.944 1.318 -6.304) 7.081 16.213 ( 2.311 -1.347 -8.805) 9.202 16.922 ( 6.164 4.286 0.716) 7.542 17.012 ( -4.759 2.033 1.640) 5.429 21.188 ( -0.892 -3.989 1.672) 4.416 21.258 ( -0.552 -5.171 -0.485) 5.223 23.268 ( 3.101 0.051 3.666) 4.802 23.290 ( -2.642 -0.648 5.137) 5.813 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -6.102 0.017 -2.728) 6.684 2.125 ( -1.271 -3.189 -4.707) 5.826 2.281 ( -1.917 1.763 -7.240) 7.694 2.409 ( 9.293 -1.829 -5.110) 10.762 2.733 ( -10.278 2.306 -0.503) 10.545 2.822 ( 3.230 4.172 4.235) 6.765 2.846 ( -0.730 -0.563 3.434) 3.555 2.896 ( 0.689 -0.311 2.013) 2.150 3.020 ( 4.758 3.908 -4.990) 7.926 3.094 ( 9.640 1.098 3.907) 10.459 3.178 ( -1.349 -5.508 -1.545) 5.877 3.364 ( 5.103 -3.023 -9.007) 10.785 3.636 ( -0.969 -3.664 2.219) 4.392 3.748 ( 0.996 -5.013 -4.180) 6.603 3.862 ( -8.815 -11.048 -2.973) 14.443 4.050 ( 7.644 -17.086 -2.279) 18.857 4.446 ( -7.534 -5.402 2.585) 9.624 4.708 ( 11.055 -9.141 -1.770) 14.454 5.035 ( -3.350 15.400 6.458) 17.032 5.240 ( 3.295 17.540 -3.661) 18.219 5.596 ( -8.506 4.323 4.383) 10.500 5.744 ( -3.939 -2.669 0.362) 4.772 5.820 ( -4.520 -6.748 3.205) 8.731 6.019 ( 9.179 7.199 4.614) 12.544 6.063 ( 3.728 0.321 -8.420) 9.214 6.390 ( -0.191 -0.057 -10.531) 10.533 6.530 ( 0.649 -0.137 8.790) 8.815 6.785 ( -0.325 -2.085 -4.409) 4.887 7.297 ( -4.830 -3.409 1.118) 6.017 7.467 ( 8.617 -5.539 -0.019) 10.244 7.871 ( 1.277 6.770 2.453) 7.313 7.920 ( -0.328 4.563 1.542) 4.828 8.056 ( -5.485 4.307 -12.236) 14.084 8.118 ( 4.591 4.324 -6.250) 8.879 9.056 ( -4.526 4.457 -0.879) 6.412 9.100 ( 4.645 4.348 1.517) 6.541 9.602 ( -5.363 10.314 4.819) 12.584 9.742 ( -3.497 6.322 0.548) 7.245 10.131 ( -4.881 10.376 2.718) 11.784 10.201 ( -6.730 7.124 1.356) 9.894 10.379 ( -1.691 -8.827 1.785) 9.163 10.538 ( 14.263 -5.773 0.652) 15.401 11.123 ( -4.976 -1.219 3.918) 6.450 11.386 ( 5.676 -7.160 -4.533) 10.199 12.865 ( -4.195 2.033 2.050) 5.093 12.933 ( -1.314 -1.523 -0.620) 2.105 13.183 ( 0.172 0.239 3.692) 3.704 13.196 ( -1.850 -0.516 1.746) 2.596 15.259 ( -4.733 -6.818 -1.028) 8.364 15.423 ( 12.761 -12.064 -2.145) 17.692 15.625 ( -6.002 -9.155 0.669) 10.967 15.769 ( 10.018 -11.771 0.331) 15.461 16.098 ( -1.234 0.397 -3.915) 4.124 16.136 ( -1.672 -1.136 -6.761) 7.056 16.923 ( -7.260 4.989 0.572) 8.828 17.024 ( 5.299 2.156 0.952) 5.800 21.197 ( -0.353 -4.120 2.083) 4.630 21.248 ( 0.333 -5.672 -0.775) 5.735 23.288 ( -3.491 0.745 3.305) 4.865 23.353 ( 2.880 -1.015 2.827) 4.161 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -7.802 8.416 3.078) 11.882 2.041 ( -5.373 5.865 -2.608) 8.370 2.287 ( 8.187 -4.527 -1.719) 9.512 2.539 ( 10.254 -8.255 -1.902) 13.301 2.621 ( -2.806 -0.652 1.040) 3.063 2.789 ( -7.350 -4.776 6.291) 10.790 2.922 ( 2.728 -4.931 1.099) 5.741 2.988 ( 2.813 -1.054 2.139) 3.688 3.046 ( 6.878 6.106 -9.410) 13.158 3.139 ( 3.877 1.557 -1.071) 4.313 3.279 ( 6.693 1.112 -1.141) 6.880 3.424 ( 10.836 -2.270 -0.374) 11.078 3.659 ( -1.553 -6.244 3.736) 7.441 3.732 ( 0.872 -2.461 -0.779) 2.725 3.806 ( 6.203 -1.644 -2.263) 6.805 3.961 ( -12.467 -0.557 -1.801) 12.609 4.561 ( 13.406 -10.579 5.205) 17.853 4.857 ( 6.955 -8.227 -1.826) 10.926 5.009 ( -5.751 12.901 2.861) 14.412 5.186 ( -2.141 18.931 -5.902) 19.945 5.485 ( -9.949 -0.675 2.036) 10.178 5.685 ( -3.320 0.598 4.016) 5.245 5.791 ( -3.313 -5.297 4.554) 7.732 6.007 ( 3.225 -3.517 -8.106) 9.406 6.280 ( 7.276 0.060 6.116) 9.505 6.312 ( 5.237 5.775 -7.595) 10.884 6.559 ( -4.170 -3.151 -0.411) 5.243 6.755 ( 1.657 -2.309 0.258) 2.854 7.207 ( -2.314 3.296 -2.214) 4.595 7.668 ( 10.250 -6.788 3.268) 12.722 7.774 ( -9.059 9.401 -6.886) 14.760 7.924 ( 0.386 3.072 1.783) 3.573 7.988 ( 0.491 5.431 3.233) 6.340 8.113 ( 3.380 2.276 -6.781) 7.911 8.970 ( -4.921 4.999 -1.531) 7.180 9.166 ( 2.786 0.544 1.758) 3.338 9.444 ( -14.337 12.117 0.239) 18.773 9.723 ( -7.731 3.929 4.243) 9.654 10.042 ( -5.106 12.563 0.076) 13.561 10.140 ( -4.026 -2.113 -1.733) 4.866 10.379 ( -1.522 -6.235 6.718) 9.291 10.703 ( 11.317 3.928 -7.187) 13.970 11.160 ( 3.827 -3.674 4.671) 7.069 11.470 ( 7.862 -8.826 -0.474) 11.830 12.777 ( -8.754 2.610 0.703) 9.161 12.868 ( -6.756 -0.304 0.095) 6.764 13.156 ( -3.396 -0.633 -0.165) 3.458 13.193 ( -2.903 -0.944 0.763) 3.146 15.218 ( 1.660 -1.635 -1.150) 2.598 15.579 ( 2.273 -9.442 0.441) 9.721 15.650 ( 12.962 -5.779 -1.860) 14.314 15.910 ( 2.609 -4.847 2.699) 6.131 16.004 ( -5.602 -0.086 -3.397) 6.552 16.080 ( 6.913 -8.831 -3.225) 11.670 16.819 ( -6.263 6.477 0.954) 9.060 17.101 ( 3.154 -0.423 0.493) 3.221 21.219 ( -0.157 -2.769 1.732) 3.270 21.252 ( 0.874 -4.294 -0.128) 4.384 23.254 ( -3.770 1.730 1.100) 4.291 23.413 ( 2.117 -2.567 0.589) 3.379 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -2.970 14.721 10.952) 18.587 1.950 ( -5.843 13.369 3.987) 15.125 2.407 ( 7.148 -4.523 -1.103) 8.531 2.646 ( 4.657 -4.482 0.628) 6.494 2.664 ( 6.058 -8.793 -0.214) 10.680 2.734 ( -1.243 -5.831 -2.808) 6.590 2.957 ( -2.735 -3.755 -0.737) 4.704 2.977 ( 2.209 -6.134 -7.527) 9.958 3.043 ( 4.314 -4.207 -1.343) 6.173 3.258 ( 2.121 1.535 5.160) 5.786 3.371 ( 4.999 5.123 0.140) 7.159 3.582 ( 6.805 -3.614 2.218) 8.018 3.643 ( -6.705 0.219 8.037) 10.469 3.783 ( 2.968 3.747 -6.081) 7.735 3.828 ( 3.252 9.656 5.555) 11.605 3.941 ( 9.948 4.399 1.327) 10.958 4.749 ( 0.581 -0.119 -7.612) 7.635 4.858 ( 1.308 -7.001 5.305) 8.881 5.008 ( 0.942 6.016 4.279) 7.443 5.098 ( -0.401 13.147 -4.130) 13.786 5.387 ( -6.406 3.752 3.615) 8.257 5.715 ( 1.285 -4.743 4.953) 6.977 5.861 ( 4.466 -3.811 5.282) 7.897 5.932 ( -2.168 -8.043 -7.409) 11.148 6.259 ( 4.709 4.419 -9.515) 11.499 6.437 ( -2.018 -1.117 -3.581) 4.259 6.475 ( 0.160 1.478 6.861) 7.020 6.846 ( 6.203 -5.096 3.742) 8.857 7.198 ( 2.220 11.292 -0.367) 11.514 7.548 ( -10.940 10.373 -4.399) 15.704 7.810 ( 5.264 -2.654 -0.076) 5.895 7.954 ( -0.273 4.502 1.515) 4.758 7.993 ( -7.494 -2.607 2.946) 8.464 8.089 ( 4.188 4.833 -5.361) 8.345 8.873 ( -3.749 5.115 -2.943) 6.991 9.188 ( -10.654 1.639 3.693) 11.394 9.298 ( 0.424 12.049 4.770) 12.965 9.575 ( -12.153 1.983 0.614) 12.329 9.940 ( -11.908 -11.540 -2.838) 16.823 10.039 ( 3.312 11.617 -4.548) 12.907 10.486 ( 0.823 -3.900 7.266) 8.287 10.812 ( 13.527 11.346 -3.330) 17.967 11.291 ( 9.377 -7.710 -2.681) 12.432 11.602 ( 6.473 -10.581 2.821) 12.721 12.611 ( -12.529 3.470 0.444) 13.008 12.732 ( -10.772 2.040 1.022) 11.011 13.086 ( -5.338 -1.286 -1.100) 5.600 13.114 ( -4.723 -2.154 -2.832) 5.913 15.286 ( 7.594 3.813 -0.233) 8.500 15.650 ( 5.175 -2.607 0.250) 5.800 15.706 ( -3.793 1.639 2.683) 4.926 15.836 ( -8.503 -0.522 0.209) 8.522 16.101 ( 14.806 -3.926 1.990) 15.447 16.223 ( 11.033 -7.690 -1.620) 13.545 16.777 ( 0.376 2.153 1.350) 2.569 17.125 ( 0.203 -2.541 -1.257) 2.842 21.207 ( -2.194 -0.341 -0.879) 2.388 21.270 ( -0.133 -1.542 1.118) 1.909 23.200 ( -3.192 1.705 -0.680) 3.682 23.429 ( 1.085 -4.203 -2.270) 4.899 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -4.573 14.070 7.238) 16.470 2.014 ( -1.517 19.268 11.456) 22.468 2.463 ( 3.733 -3.812 -4.016) 6.678 2.660 ( -0.255 -4.150 -7.000) 8.142 2.710 ( 1.144 -4.372 1.174) 4.669 2.788 ( 6.378 -7.006 0.948) 9.522 2.897 ( 1.729 -6.156 -8.251) 10.438 2.928 ( 1.327 -3.901 -0.975) 4.234 3.087 ( -0.571 -6.282 1.171) 6.415 3.271 ( -1.707 -3.758 5.795) 7.115 3.357 ( 0.138 1.848 -11.144) 11.297 3.656 ( -1.201 -8.266 -1.450) 8.478 3.702 ( -1.656 17.846 1.420) 17.979 3.827 ( 3.087 2.169 20.646) 20.988 4.048 ( 12.248 14.082 6.202) 19.666 4.120 ( 7.531 5.386 4.965) 10.506 4.655 ( 2.015 8.146 -3.400) 9.054 4.847 ( -8.067 -2.061 1.465) 8.454 5.083 ( 1.356 3.925 -3.561) 5.470 5.130 ( 7.649 5.917 3.418) 10.256 5.353 ( -3.686 8.587 5.003) 10.600 5.736 ( -7.095 -4.396 -3.332) 8.987 5.865 ( 3.358 -8.231 2.983) 9.377 6.010 ( 7.799 -4.577 0.976) 9.095 6.269 ( 6.084 1.751 -2.765) 6.908 6.413 ( 5.086 -5.612 0.502) 7.591 6.534 ( -0.979 8.334 2.173) 8.668 6.986 ( 6.148 -5.538 1.323) 8.379 7.208 ( -7.379 14.654 3.866) 16.856 7.370 ( -2.830 9.905 -2.926) 10.709 7.751 ( -16.210 0.844 -1.355) 16.288 7.897 ( 1.767 -3.320 0.416) 3.784 7.959 ( -0.786 0.257 -2.108) 2.265 8.092 ( 1.774 4.450 -3.951) 6.210 8.791 ( -2.105 6.119 -4.282) 7.760 9.080 ( -8.721 6.481 7.194) 13.031 9.391 ( 0.536 6.571 4.686) 8.088 9.421 ( -4.662 5.791 -0.568) 7.456 9.665 ( -10.813 -9.848 -11.118) 18.371 10.139 ( 8.131 -0.055 2.516) 8.512 10.518 ( -2.199 3.582 4.081) 5.858 11.067 ( 15.897 6.770 3.366) 17.604 11.368 ( 9.149 -9.751 -9.430) 16.362 11.701 ( 2.966 -12.260 0.383) 12.620 12.430 ( -12.275 4.746 3.531) 13.626 12.572 ( -11.835 3.307 3.366) 12.741 12.930 ( -8.614 -0.867 -5.173) 10.085 13.030 ( -2.700 -2.939 -2.460) 4.688 15.429 ( 8.523 7.377 1.484) 11.369 15.625 ( -6.807 0.068 7.068) 9.813 15.750 ( -4.184 1.682 4.568) 6.419 15.824 ( 9.830 4.161 1.386) 10.764 16.219 ( -1.073 10.968 -0.283) 11.024 16.462 ( 18.488 -9.515 0.713) 20.805 16.866 ( 7.906 -4.732 0.774) 9.247 17.080 ( -1.671 -3.690 -4.130) 5.785 21.131 ( -4.786 3.537 -2.626) 6.505 21.252 ( -3.066 1.099 -0.234) 3.265 23.146 ( -1.959 0.424 -1.520) 2.515 23.399 ( 0.152 -5.633 -4.879) 7.454 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.33 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -3.612 13.998 9.447) 17.269 2.028 ( -7.435 17.513 3.623) 19.368 2.453 ( 1.834 -4.784 -5.528) 7.538 2.552 ( -1.945 -0.461 -7.908) 8.157 2.721 ( -1.045 -3.502 0.702) 3.721 2.808 ( -1.312 -2.893 -6.772) 7.480 2.880 ( 7.561 -5.808 -6.075) 11.305 3.022 ( 5.581 -10.443 4.146) 12.545 3.107 ( -0.055 -3.911 4.431) 5.910 3.187 ( -2.642 -0.914 -11.716) 12.045 3.347 ( 3.013 -10.203 2.522) 10.933 3.510 ( -4.145 -4.011 -7.358) 9.349 3.802 ( -1.092 21.978 15.728) 27.049 4.127 ( 5.625 4.513 19.261) 20.567 4.256 ( 3.584 7.974 10.472) 13.642 4.325 ( 8.387 11.073 8.636) 16.357 4.725 ( 2.673 8.120 -1.662) 8.709 4.743 ( -2.472 2.339 3.377) 4.794 5.047 ( -0.761 3.509 -2.992) 4.674 5.212 ( -0.864 5.462 -3.260) 6.419 5.383 ( 1.496 7.106 3.271) 7.964 5.592 ( -3.734 -2.055 -3.190) 5.324 5.921 ( 1.780 0.046 1.064) 2.074 6.163 ( 5.899 -5.961 5.746) 10.166 6.348 ( 5.397 0.659 0.215) 5.441 6.440 ( -6.067 10.117 1.678) 11.915 6.650 ( 13.489 -1.205 -0.608) 13.556 7.009 ( 2.490 1.244 -3.814) 4.722 7.089 ( -12.239 1.866 3.291) 12.811 7.320 ( -6.820 7.487 -3.087) 10.587 7.517 ( -6.849 3.832 1.712) 8.033 7.893 ( -1.264 -1.069 -5.845) 6.075 7.934 ( 1.328 -5.108 0.740) 5.329 8.089 ( 3.094 2.174 -1.688) 4.141 8.711 ( -2.650 6.871 -2.909) 7.918 9.043 ( -5.185 3.718 5.623) 8.504 9.312 ( -6.224 -3.033 -3.373) 7.702 9.389 ( -3.958 4.535 -11.866) 13.305 9.531 ( 4.581 11.486 6.508) 13.973 10.223 ( 1.420 -5.452 -4.505) 7.213 10.601 ( 1.307 3.444 12.670) 13.195 11.256 ( 4.828 -1.341 -4.332) 6.623 11.452 ( 14.225 -5.949 -3.814) 15.883 11.732 ( 4.107 -9.982 -1.344) 10.877 12.270 ( -13.716 2.154 2.571) 14.120 12.452 ( -10.896 0.838 5.409) 12.193 12.767 ( -2.476 2.666 -4.490) 5.780 12.970 ( -1.428 -2.271 -2.533) 3.690 15.552 ( 2.525 6.240 5.481) 8.681 15.654 ( -2.475 0.361 10.902) 11.185 15.816 ( 5.896 6.964 3.832) 9.897 15.972 ( 4.752 5.725 1.804) 7.656 16.164 ( -4.222 14.476 0.812) 15.101 16.709 ( 11.234 -7.453 -2.132) 13.649 16.951 ( 0.984 -3.306 -1.841) 3.910 17.037 ( 4.422 -5.071 -3.600) 7.631 21.021 ( -4.461 7.363 -2.482) 8.960 21.173 ( -4.497 3.620 -2.310) 6.218 23.109 ( -0.728 -1.573 -1.203) 2.110 23.333 ( -0.271 -6.568 -6.556) 9.284 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -5.974 6.664 -2.106) 9.194 2.172 ( -2.949 4.770 1.093) 5.713 2.326 ( -0.341 -0.396 -3.604) 3.642 2.421 ( 0.838 -5.964 -11.957) 13.388 2.632 ( -1.123 1.294 0.357) 1.750 2.671 ( -2.665 -0.430 0.703) 2.790 2.825 ( 3.460 -2.218 -7.551) 8.597 2.865 ( 1.324 -6.149 -11.504) 13.111 3.067 ( 1.649 -2.186 5.898) 6.502 3.093 ( -1.440 -4.235 7.131) 8.418 3.301 ( 0.667 1.232 -2.183) 2.594 3.353 ( 2.739 -3.768 -4.648) 6.581 4.384 ( 2.281 6.284 17.972) 19.175 4.431 ( -0.261 0.316 18.184) 18.188 4.657 ( 3.604 16.020 11.912) 20.287 4.691 ( -0.036 6.794 5.490) 8.735 4.717 ( 3.803 1.107 2.001) 4.438 4.908 ( 0.749 -1.740 3.667) 4.127 5.041 ( -3.970 1.597 -2.813) 5.122 5.060 ( -9.490 -0.963 -6.093) 11.319 5.496 ( -0.132 2.529 -0.204) 2.541 5.533 ( -0.187 -1.450 -1.659) 2.211 6.078 ( 6.028 6.169 2.209) 8.904 6.199 ( 7.560 -5.896 1.187) 9.660 6.500 ( -10.211 6.497 5.247) 13.191 6.554 ( -0.276 1.545 4.304) 4.581 6.771 ( -10.601 2.885 -1.554) 11.096 6.839 ( -0.260 -3.712 -2.021) 4.234 7.108 ( 0.137 -0.538 -2.160) 2.230 7.128 ( 10.513 -2.684 -3.145) 11.296 7.651 ( 1.707 8.678 -9.659) 13.097 7.763 ( 0.305 -3.268 -9.357) 9.916 7.895 ( 3.115 -1.349 2.929) 4.483 7.981 ( 5.846 -9.249 -4.634) 11.883 8.850 ( -4.884 9.412 1.814) 10.758 9.003 ( -2.983 -6.941 -3.866) 8.486 9.253 ( 1.220 10.309 6.368) 12.178 9.388 ( 0.792 -1.219 1.500) 2.089 9.895 ( -0.630 10.017 7.750) 12.680 10.051 ( -4.418 -6.319 2.537) 8.117 10.810 ( 0.506 8.638 1.310) 8.751 11.027 ( 1.207 -12.146 -7.934) 14.558 11.579 ( 1.279 2.095 -0.215) 2.464 11.671 ( 3.856 -6.953 -4.151) 8.969 12.162 ( -5.163 5.087 1.599) 7.423 12.265 ( -2.664 -5.371 -1.492) 6.178 12.854 ( 1.981 3.782 1.048) 4.396 12.909 ( 0.985 -1.905 -0.830) 2.300 15.743 ( 1.905 2.637 10.206) 10.712 15.770 ( 1.049 -0.135 10.476) 10.529 16.062 ( -1.245 4.489 3.648) 5.916 16.085 ( -3.339 2.466 1.001) 4.270 16.393 ( 3.380 11.804 -3.507) 12.769 16.590 ( 3.717 -8.813 -7.981) 12.457 16.921 ( -1.868 -0.450 0.815) 2.087 16.955 ( -1.906 -3.843 -1.064) 4.420 21.115 ( -0.379 5.781 -0.958) 5.872 21.158 ( -0.659 1.279 -2.344) 2.750 23.068 ( -0.185 0.844 -2.450) 2.598 23.133 ( 0.051 -5.591 -5.265) 7.680 ======================= Grid point 243 (131/170) ======================= q-point: ( 0.09 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.336 2.545 6.147) 6.661 2.146 ( -1.837 -1.537 2.908) 3.767 2.302 ( 2.892 4.914 -2.362) 6.172 2.384 ( 4.984 -3.172 -5.913) 8.359 2.613 ( -3.207 -1.231 1.724) 3.843 2.623 ( -3.688 -1.011 0.699) 3.888 2.772 ( 2.452 -1.706 -9.735) 10.183 2.798 ( 1.664 -2.810 -4.809) 5.813 3.128 ( -2.887 -2.751 6.079) 7.270 3.145 ( -0.781 -4.109 6.946) 8.108 3.279 ( 1.306 2.450 -5.708) 6.347 3.348 ( 3.372 -4.448 -6.382) 8.478 4.483 ( -10.169 6.536 6.038) 13.513 4.521 ( -5.083 2.583 10.917) 12.316 4.629 ( -8.003 6.195 2.790) 10.498 4.718 ( -5.793 -0.763 -6.132) 8.471 4.815 ( -5.944 4.113 5.169) 8.886 4.831 ( -9.333 2.391 -1.849) 9.810 5.005 ( 5.919 8.255 5.487) 11.545 5.090 ( 10.166 1.474 4.461) 11.199 5.483 ( -0.510 1.259 0.916) 1.638 5.503 ( 0.013 -0.471 -1.184) 1.275 6.200 ( 4.194 3.706 1.900) 5.911 6.284 ( -1.959 -5.292 -4.758) 7.381 6.373 ( -4.934 3.939 0.014) 6.313 6.461 ( -13.095 -3.582 4.763) 14.387 6.587 ( -6.526 4.372 3.018) 8.416 6.687 ( -13.933 -5.677 0.338) 15.049 7.288 ( 20.140 7.790 -1.487) 21.645 7.400 ( 21.218 -3.884 -3.059) 21.787 7.606 ( 2.823 5.294 -4.210) 7.329 7.710 ( 5.972 -5.134 -7.409) 10.813 7.949 ( 2.124 -0.683 -1.627) 2.762 8.001 ( 2.988 -5.351 -4.215) 7.438 8.860 ( 0.748 6.349 5.909) 8.706 8.960 ( 1.349 -4.013 -1.989) 4.677 9.367 ( 5.350 9.041 4.489) 11.424 9.422 ( 4.806 4.723 -2.996) 7.374 9.938 ( -4.863 4.201 6.184) 8.919 9.990 ( -6.000 -1.067 3.112) 6.843 10.840 ( 0.689 5.737 2.071) 6.138 10.990 ( 3.840 -8.993 -6.551) 11.770 11.437 ( -14.672 -0.197 -0.568) 14.684 11.503 ( -15.510 -6.936 -3.732) 17.395 12.290 ( 13.108 2.219 3.945) 13.867 12.350 ( 11.651 -3.950 0.150) 12.303 12.896 ( 2.136 1.981 0.091) 2.915 12.912 ( 1.515 0.309 -2.530) 2.965 15.828 ( -4.424 5.105 0.305) 6.763 15.868 ( 1.021 0.768 2.752) 3.034 15.990 ( -8.447 5.281 3.840) 10.676 16.053 ( -4.903 -0.545 7.805) 9.233 16.450 ( 6.921 6.124 -2.107) 9.479 16.557 ( 4.082 -4.827 -8.887) 10.906 16.823 ( -11.560 -1.354 1.279) 11.709 16.852 ( -9.874 -3.950 0.986) 10.681 21.113 ( 0.792 5.080 -0.104) 5.142 21.155 ( 2.301 0.973 -0.699) 2.594 23.057 ( 0.984 -0.148 -0.807) 1.281 23.099 ( 1.795 -4.253 -3.293) 5.670 ======================= Grid point 244 (132/170) ======================= q-point: ( 0.18 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 2.062 1.666 6.031) 6.588 2.250 ( 5.278 -2.525 9.851) 11.458 2.352 ( 5.287 4.398 -1.490) 7.036 2.418 ( 4.896 -3.341 -3.056) 6.668 2.570 ( -3.678 0.494 3.573) 5.151 2.601 ( -2.797 -3.074 4.088) 5.829 2.709 ( 1.354 1.720 -7.202) 7.528 2.777 ( -0.691 -3.795 -1.280) 4.064 3.129 ( -2.915 1.474 -3.670) 4.913 3.148 ( -2.373 -0.918 1.966) 3.216 3.263 ( 0.639 -2.285 3.045) 3.861 3.319 ( 1.808 -6.639 -5.294) 8.682 4.281 ( -15.437 10.212 -1.979) 18.615 4.433 ( -8.758 -3.419 -5.491) 10.888 4.473 ( -13.945 7.531 0.178) 15.849 4.582 ( -4.509 -1.525 -3.935) 6.176 4.671 ( -9.369 6.120 1.793) 11.334 4.777 ( -5.673 -2.323 4.602) 7.665 5.115 ( 2.642 11.527 1.805) 11.963 5.280 ( 7.415 -2.704 2.416) 8.254 5.502 ( -0.842 1.518 1.935) 2.599 5.518 ( 1.759 1.253 0.143) 2.164 6.053 ( -14.488 -0.976 1.033) 14.558 6.136 ( -11.084 -8.226 -3.231) 14.176 6.314 ( 1.568 3.340 -10.180) 10.828 6.387 ( 0.579 -2.794 -5.180) 5.914 6.566 ( -0.334 4.515 4.627) 6.474 6.635 ( -2.727 -2.799 11.291) 11.948 7.513 ( 5.770 8.550 0.128) 10.316 7.618 ( 1.424 1.596 -1.060) 2.387 7.705 ( 21.651 0.075 -3.048) 21.864 7.805 ( 12.749 -7.289 -6.170) 15.929 7.974 ( 7.554 0.847 -2.118) 7.891 7.996 ( 2.011 -2.144 -2.092) 3.608 8.976 ( 1.797 4.026 2.546) 5.091 8.994 ( 3.409 1.409 7.798) 8.627 9.463 ( 6.400 7.251 -6.559) 11.685 9.502 ( 7.859 4.168 -0.360) 8.904 9.869 ( -5.204 5.497 0.806) 7.612 9.960 ( -5.478 -3.346 5.563) 8.494 10.828 ( -8.147 7.429 0.335) 11.031 10.974 ( 4.283 -2.425 -4.900) 6.945 11.187 ( -16.651 -4.027 -1.528) 17.198 11.293 ( -6.530 -10.421 5.308) 13.395 12.542 ( 12.405 0.204 1.885) 12.549 12.566 ( 12.969 -2.253 3.275) 13.564 12.903 ( 2.118 2.345 -3.459) 4.685 12.925 ( 2.157 0.052 -0.455) 2.205 15.664 ( -12.892 7.274 -1.631) 14.892 15.755 ( -10.996 -1.767 -1.107) 11.192 15.981 ( -2.474 4.345 1.353) 5.180 16.048 ( -3.123 -1.884 0.097) 3.648 16.436 ( -6.672 1.061 -5.957) 9.007 16.511 ( -2.734 -5.349 -7.469) 9.585 16.720 ( -1.298 0.558 7.608) 7.738 16.744 ( -2.771 -2.141 3.234) 4.767 21.136 ( 1.446 4.353 0.717) 4.643 21.194 ( 1.688 -1.250 0.961) 2.309 23.079 ( 1.841 0.270 0.637) 1.966 23.115 ( 2.066 -3.284 0.374) 3.898 ======================= Grid point 245 (133/170) ======================= q-point: ( 0.27 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 3.523 5.041 3.185) 6.926 2.379 ( 3.833 1.721 -3.440) 5.430 2.398 ( 1.213 -0.883 -3.536) 3.841 2.443 ( 1.835 -5.233 4.121) 6.909 2.604 ( 0.575 0.678 1.098) 1.413 2.605 ( -2.456 0.470 0.315) 2.520 2.728 ( 5.445 -0.875 7.828) 9.576 2.756 ( -1.383 -3.236 2.797) 4.495 3.019 ( -0.006 6.034 -7.665) 9.755 3.144 ( -0.415 -4.746 0.490) 4.790 3.290 ( -0.406 -3.509 -0.902) 3.646 3.323 ( -1.610 -5.713 5.756) 8.268 4.011 ( -15.091 10.889 -2.681) 18.802 4.179 ( -16.298 8.144 -4.812) 18.844 4.238 ( -12.204 -7.858 -4.627) 15.235 4.361 ( -13.461 -6.504 -7.852) 16.887 4.589 ( -4.376 7.708 0.143) 8.865 4.732 ( -4.454 -6.496 0.633) 7.902 5.167 ( 1.537 14.400 3.411) 14.878 5.376 ( 3.012 0.740 -1.437) 3.418 5.469 ( -0.841 -3.770 -0.086) 3.864 5.545 ( 0.099 -3.093 -0.697) 3.172 5.934 ( -4.162 -0.782 3.369) 5.412 5.953 ( -6.201 -2.702 1.085) 6.851 6.238 ( 3.957 4.829 -11.699) 13.261 6.335 ( 3.029 -3.932 -9.156) 10.415 6.635 ( 1.097 4.363 4.269) 6.202 6.717 ( -0.900 -4.428 7.221) 8.518 7.503 ( -4.131 8.488 -1.589) 9.573 7.606 ( -1.996 -0.907 -0.586) 2.270 7.856 ( 3.693 -1.882 -4.911) 6.426 7.877 ( 5.672 -3.610 -7.510) 10.080 8.108 ( 13.696 6.899 1.391) 15.399 8.204 ( 17.365 -2.819 -0.752) 17.608 8.985 ( -2.658 11.726 1.985) 12.186 9.148 ( 0.498 -5.423 8.949) 10.475 9.490 ( 5.381 5.829 -1.354) 8.048 9.580 ( 5.929 -2.430 -4.565) 7.867 9.859 ( 4.036 7.355 -1.002) 8.450 9.962 ( -0.765 -2.801 5.869) 6.548 10.639 ( -11.612 10.289 -1.202) 15.561 10.896 ( -10.116 -13.327 -5.177) 17.514 11.068 ( 0.695 10.120 4.378) 11.048 11.313 ( -1.700 -13.435 5.715) 14.699 12.718 ( 8.453 2.271 0.349) 8.760 12.779 ( 8.639 -3.813 2.512) 9.772 12.925 ( 4.198 3.157 -0.232) 5.258 12.967 ( 3.180 -1.101 1.116) 3.545 15.437 ( -12.653 6.506 -1.496) 14.306 15.562 ( -12.080 -5.613 -0.171) 13.322 15.869 ( -11.729 2.060 -0.987) 11.949 15.944 ( -9.386 -5.078 -0.982) 10.717 16.260 ( -1.922 2.383 -8.660) 9.185 16.336 ( -3.081 -5.222 -9.972) 11.671 16.807 ( 4.546 3.538 3.331) 6.654 16.868 ( 4.784 -2.641 7.172) 9.017 21.162 ( 0.077 2.594 1.201) 2.860 21.215 ( -0.573 -2.705 1.084) 2.970 23.128 ( 2.093 1.038 2.487) 3.413 23.164 ( 1.226 -2.654 3.507) 4.566 ======================= Grid point 246 (134/170) ======================= q-point: ( 0.36 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -2.720 2.820 -8.794) 9.627 2.323 ( -1.756 -1.121 -6.647) 6.965 2.447 ( 1.598 3.041 3.952) 5.237 2.515 ( 0.073 -3.466 0.297) 3.479 2.545 ( 5.680 5.279 -7.161) 10.555 2.636 ( 6.076 -3.324 -1.405) 7.067 2.828 ( 2.576 3.239 6.431) 7.647 2.914 ( 2.352 -3.780 8.243) 9.368 2.993 ( 4.008 5.917 -1.646) 7.333 3.146 ( 0.170 -5.969 -0.629) 6.005 3.251 ( -4.390 -0.425 0.416) 4.430 3.328 ( -5.085 -6.696 3.087) 8.957 3.765 ( -11.673 6.038 -1.674) 13.248 3.870 ( -15.561 6.961 -3.196) 17.344 3.954 ( -15.033 -10.137 -6.324) 19.203 4.052 ( -14.028 -10.555 -6.826) 18.836 4.524 ( -1.212 5.570 -3.882) 6.896 4.655 ( -4.055 -8.211 -2.407) 9.469 5.245 ( 0.723 15.885 6.189) 17.063 5.357 ( 3.123 9.141 -4.684) 10.736 5.514 ( 0.730 -6.740 -2.442) 7.206 5.529 ( 1.364 -11.577 6.309) 13.255 5.953 ( -0.670 5.340 6.841) 8.704 5.977 ( 2.174 4.129 1.864) 5.025 6.189 ( 5.356 1.026 -9.747) 11.169 6.279 ( 2.678 -6.086 -9.218) 11.366 6.665 ( -0.406 4.010 -0.385) 4.049 6.755 ( -0.349 -4.972 1.342) 5.162 7.389 ( -5.405 9.278 -3.688) 11.353 7.536 ( -5.533 -5.079 -1.738) 7.710 7.843 ( 2.231 1.308 -3.372) 4.249 7.884 ( 1.763 -1.915 0.116) 2.605 8.267 ( 8.110 8.211 -6.886) 13.439 8.375 ( 8.245 -2.563 -7.842) 11.664 8.990 ( 0.112 10.333 5.224) 11.579 9.167 ( -3.566 -8.021 1.986) 8.999 9.624 ( 3.840 5.628 7.144) 9.872 9.673 ( 8.310 -1.741 5.569) 10.154 9.946 ( 8.259 3.844 -1.947) 9.316 10.057 ( 4.115 -3.868 4.609) 7.290 10.468 ( -8.623 11.958 -0.959) 14.774 10.698 ( -7.730 -6.957 -4.615) 11.377 11.120 ( 0.094 6.030 2.859) 6.674 11.320 ( -3.783 -11.692 2.784) 12.600 12.822 ( 4.889 3.071 0.247) 5.779 12.885 ( 3.886 -2.787 0.303) 4.792 13.024 ( 4.282 1.484 4.067) 6.089 13.055 ( 4.111 -1.364 3.634) 5.654 15.257 ( -7.629 3.645 -1.408) 8.571 15.382 ( -10.028 -9.069 -0.684) 13.538 15.658 ( -11.610 1.862 -0.374) 11.765 15.751 ( -13.135 -7.827 0.258) 15.293 16.192 ( 4.546 2.188 -9.078) 10.386 16.235 ( 3.809 -2.334 -10.356) 11.279 16.914 ( 4.456 4.775 2.375) 6.950 16.988 ( 2.138 -2.855 4.099) 5.433 21.160 ( -1.579 0.665 0.801) 1.892 21.200 ( -2.027 -3.320 0.263) 3.899 23.196 ( 1.857 1.098 4.090) 4.624 23.225 ( 0.246 -1.832 5.080) 5.406 ======================= Grid point 247 (135/170) ======================= q-point: ( 0.45 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -3.454 2.403 -8.249) 9.260 2.184 ( -4.309 -3.795 -8.404) 10.179 2.410 ( 1.651 0.890 -9.426) 9.610 2.437 ( -1.364 -1.553 -8.873) 9.111 2.709 ( 12.527 7.289 3.119) 14.825 2.800 ( 11.655 -1.335 1.995) 11.900 2.920 ( 0.267 3.978 4.181) 5.777 2.954 ( -0.418 5.163 -2.236) 5.642 3.023 ( -7.369 -1.414 4.600) 8.801 3.090 ( -6.938 -0.769 0.057) 6.980 3.178 ( -3.406 -1.234 -1.884) 4.083 3.258 ( -0.326 -7.446 -1.378) 7.580 3.646 ( -6.307 0.545 1.343) 6.472 3.683 ( 0.024 -3.257 -1.968) 3.806 3.725 ( -6.578 -4.884 -2.130) 8.465 3.806 ( -9.444 -11.209 -2.554) 14.878 4.467 ( 0.523 1.196 -5.337) 5.495 4.542 ( -4.566 -7.138 -4.625) 9.654 5.315 ( -0.732 16.616 7.058) 18.068 5.413 ( 5.977 9.664 0.495) 11.374 5.561 ( 5.413 -6.255 1.430) 8.395 5.612 ( -1.113 -11.610 7.373) 13.799 5.933 ( -4.381 11.484 -4.314) 13.027 6.056 ( 3.397 6.269 3.907) 8.130 6.141 ( 2.607 -2.918 -14.525) 15.043 6.258 ( -1.763 -10.643 5.454) 12.089 6.629 ( 1.051 7.089 -4.637) 8.536 6.748 ( 0.561 -5.216 -2.275) 5.719 7.292 ( -1.426 5.016 -2.699) 5.872 7.408 ( -5.076 -6.495 -4.386) 9.338 7.885 ( 4.142 3.777 1.380) 5.773 7.933 ( 2.235 -0.838 2.492) 3.451 8.238 ( 1.488 5.769 -9.171) 10.936 8.306 ( -1.427 -0.947 -11.294) 11.423 9.077 ( 3.204 4.083 2.754) 5.875 9.137 ( -1.312 -2.468 -0.479) 2.836 9.760 ( 1.246 11.290 9.951) 15.101 9.870 ( 4.131 2.980 7.243) 8.855 10.063 ( 5.061 -6.810 2.876) 8.959 10.138 ( -2.496 -10.034 5.365) 11.648 10.377 ( 2.094 14.303 -2.880) 14.740 10.549 ( -4.037 -1.204 -5.563) 6.978 11.134 ( -1.706 3.106 2.419) 4.291 11.268 ( -3.645 -8.662 -0.272) 9.401 12.884 ( 1.761 2.019 1.398) 3.022 12.924 ( 0.494 -1.650 0.573) 1.815 13.126 ( 2.451 0.937 4.184) 4.939 13.147 ( 1.830 -1.275 3.748) 4.362 15.179 ( -0.581 -0.676 -1.002) 1.341 15.244 ( -5.317 -7.369 -1.545) 9.217 15.543 ( -2.190 -1.596 -0.175) 2.715 15.582 ( -7.607 -5.827 0.099) 9.582 16.170 ( 3.002 1.541 -7.019) 7.789 16.194 ( 2.785 -1.028 -7.973) 8.508 16.992 ( 2.841 2.898 1.493) 4.324 17.026 ( -1.185 -0.564 1.788) 2.218 21.140 ( -1.337 -0.654 0.436) 1.551 21.169 ( -1.383 -3.551 -0.414) 3.833 23.270 ( 1.410 0.234 4.397) 4.624 23.278 ( -0.696 -0.541 4.936) 5.014 ======================= Grid point 248 (136/170) ======================= q-point: (-0.45 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -0.195 0.902 -4.669) 4.759 2.061 ( 1.319 -3.078 -5.746) 6.650 2.314 ( -0.014 1.462 -9.462) 9.575 2.355 ( 4.751 -3.078 -9.038) 10.664 2.793 ( -14.007 3.693 2.045) 14.630 2.835 ( -11.626 -0.768 3.534) 12.176 2.881 ( -1.581 3.319 1.234) 3.878 2.970 ( 1.305 1.312 -1.609) 2.453 3.022 ( 10.060 -0.519 -0.138) 10.075 3.094 ( 11.486 -1.964 2.766) 11.977 3.160 ( 2.113 5.247 -0.824) 5.716 3.279 ( 5.557 -6.044 -4.081) 9.169 3.603 ( -3.769 0.760 3.166) 4.981 3.680 ( 2.949 0.119 -0.974) 3.108 3.693 ( -4.232 -7.773 0.154) 8.851 3.780 ( 11.670 -9.908 -1.964) 15.435 4.400 ( -1.550 1.942 -2.143) 3.281 4.518 ( 7.533 -9.449 -2.784) 12.401 5.348 ( -5.565 16.434 5.861) 18.314 5.524 ( 4.676 10.733 2.048) 11.886 5.626 ( -6.614 -11.331 3.814) 13.663 5.660 ( 1.938 -4.909 3.315) 6.233 5.766 ( -6.386 10.562 -6.444) 13.924 5.985 ( -0.738 -9.267 -12.420) 15.514 6.168 ( 2.814 7.364 7.645) 10.981 6.295 ( -1.037 -6.477 5.621) 8.638 6.617 ( 2.332 6.067 -4.295) 7.790 6.720 ( 1.169 -4.570 -5.624) 7.340 7.276 ( 0.831 1.755 -1.459) 2.429 7.353 ( 5.926 -5.699 -2.827) 8.694 7.977 ( 3.352 3.103 3.256) 5.610 7.984 ( 0.147 1.933 2.001) 2.786 8.130 ( -4.146 3.305 -9.521) 10.898 8.163 ( 0.226 0.284 -7.320) 7.329 9.101 ( -1.688 1.389 -1.034) 2.419 9.125 ( 1.003 -0.871 -0.793) 1.547 9.829 ( -6.447 12.742 6.730) 15.787 9.930 ( -2.411 12.282 1.989) 12.673 10.059 ( -10.010 -10.652 7.912) 16.621 10.163 ( -2.036 -11.235 1.987) 11.589 10.445 ( 3.274 8.420 -3.839) 9.816 10.508 ( 11.470 0.536 -2.075) 11.669 11.130 ( -2.481 2.713 3.386) 4.998 11.237 ( 1.234 -7.812 -0.684) 7.938 12.898 ( -2.606 1.321 1.579) 3.321 12.915 ( -2.315 -0.652 0.694) 2.503 13.178 ( -1.094 -0.013 2.461) 2.694 13.187 ( -0.793 -0.684 2.126) 2.370 15.181 ( 1.414 -1.046 -1.140) 2.096 15.233 ( 6.925 -6.752 -1.300) 9.759 15.534 ( 1.863 -1.016 0.001) 2.122 15.585 ( 7.368 -6.528 -0.041) 9.845 16.113 ( -2.283 0.853 -4.697) 5.292 16.125 ( -2.394 -0.466 -5.549) 6.061 17.002 ( -3.310 3.182 0.916) 4.682 17.039 ( 1.320 -0.601 1.118) 1.831 21.140 ( 0.710 -1.313 0.786) 1.687 21.159 ( 0.768 -3.206 -0.352) 3.316 23.306 ( -1.610 1.163 3.350) 3.895 23.330 ( 0.731 -1.322 3.150) 3.494 ======================= Grid point 249 (137/170) ======================= q-point: (-0.36 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 2.818 6.576 2.331) 7.524 2.117 ( 6.650 -1.417 0.892) 6.858 2.254 ( 3.401 3.575 -4.889) 6.946 2.376 ( 6.594 -8.050 -3.545) 10.994 2.633 ( -8.484 2.158 3.208) 9.324 2.700 ( -9.862 -4.474 4.988) 11.923 2.850 ( -1.674 -0.676 0.273) 1.825 2.903 ( -4.164 -5.384 -1.293) 6.928 3.188 ( 6.404 7.991 -8.701) 13.438 3.247 ( 10.199 6.484 1.840) 12.225 3.293 ( 6.651 -0.372 -0.094) 6.662 3.346 ( 11.653 -5.736 -3.034) 13.337 3.570 ( -3.554 -1.557 3.996) 5.570 3.652 ( -3.495 -9.138 4.664) 10.838 3.790 ( 12.549 8.046 -1.792) 15.015 3.964 ( 14.501 -6.382 -2.613) 16.057 4.454 ( 7.697 4.356 2.464) 9.181 4.652 ( 9.108 -12.680 -0.309) 15.615 5.258 ( -9.563 12.187 1.523) 15.565 5.429 ( -13.097 -4.229 -1.728) 13.871 5.562 ( 0.095 16.857 -5.559) 17.750 5.696 ( -3.342 0.589 5.113) 6.137 5.711 ( -1.533 -2.305 7.058) 7.581 5.864 ( -1.456 -12.079 -7.936) 14.526 6.308 ( 5.213 3.318 2.585) 6.698 6.368 ( 4.596 -1.544 2.972) 5.687 6.568 ( -1.799 4.533 -4.906) 6.918 6.675 ( -0.028 -5.606 -2.167) 6.010 7.317 ( 6.426 7.999 -1.088) 10.318 7.493 ( 11.456 -10.069 0.028) 15.252 7.924 ( -6.282 6.146 -5.479) 10.357 7.996 ( -2.768 -0.033 -1.911) 3.364 8.050 ( -0.191 4.098 3.960) 5.702 8.119 ( 1.606 -1.722 -3.587) 4.291 9.050 ( -3.831 3.507 -0.058) 5.194 9.116 ( -1.438 -3.676 0.612) 3.995 9.721 ( -10.875 14.046 1.465) 17.824 9.844 ( -11.062 7.888 3.072) 13.929 9.957 ( -10.022 -7.375 -0.085) 12.444 10.094 ( -7.219 -11.663 1.285) 13.776 10.503 ( 9.090 15.144 -2.141) 17.792 10.714 ( 14.879 -5.221 -2.210) 15.922 11.149 ( 0.753 3.796 2.823) 4.790 11.289 ( 3.694 -9.593 2.304) 10.534 12.831 ( -7.027 2.636 0.486) 7.521 12.863 ( -6.178 -0.687 1.370) 6.365 13.148 ( -3.944 0.086 -0.066) 3.946 13.165 ( -3.574 -1.572 -0.232) 3.911 15.242 ( 8.114 4.158 -1.237) 9.201 15.373 ( 11.354 -9.488 -0.780) 14.817 15.642 ( 11.222 3.052 -0.051) 11.629 15.757 ( 12.865 -8.687 0.383) 15.528 16.003 ( -6.283 0.039 -2.500) 6.762 16.008 ( -4.771 -0.770 -1.786) 5.152 16.951 ( -4.125 6.767 0.655) 7.952 17.057 ( -0.289 -4.138 0.582) 4.188 21.176 ( 2.063 -1.216 0.841) 2.538 21.186 ( 2.561 -2.281 0.375) 3.450 23.299 ( -2.411 2.876 1.022) 3.890 23.357 ( -0.167 -3.167 0.799) 3.270 ======================= Grid point 250 (138/170) ======================= q-point: (-0.27 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 2.163 11.004 4.324) 12.020 2.221 ( 2.966 10.368 5.412) 12.066 2.316 ( 6.369 -3.115 -1.282) 7.205 2.473 ( 5.487 -10.434 3.291) 12.239 2.609 ( 0.597 0.297 2.741) 2.821 2.653 ( 0.433 -3.145 -0.117) 3.177 2.834 ( -3.119 -4.425 -0.424) 5.430 2.848 ( -3.041 -5.506 5.466) 8.333 3.102 ( 1.663 6.453 -15.222) 16.617 3.227 ( -1.901 -5.107 -8.054) 9.724 3.451 ( 7.791 1.777 -4.206) 9.031 3.494 ( 6.940 -3.752 1.065) 7.961 3.625 ( 0.368 3.189 14.446) 14.799 3.734 ( 3.531 -6.351 7.671) 10.567 4.026 ( 17.331 13.055 0.309) 21.700 4.168 ( 12.671 4.865 0.067) 13.573 4.620 ( 8.054 -3.889 2.025) 9.170 4.726 ( 1.732 -7.926 -2.293) 8.431 5.165 ( -4.036 7.986 4.208) 9.888 5.272 ( -7.739 -1.146 4.028) 8.799 5.480 ( -1.348 12.059 -5.142) 13.179 5.718 ( -0.946 3.226 5.129) 6.132 5.737 ( -2.664 -12.187 -8.102) 14.875 5.792 ( 1.463 -3.748 7.427) 8.447 6.331 ( 3.392 3.239 -8.693) 9.877 6.387 ( -1.025 -2.757 -7.170) 7.750 6.579 ( 3.558 7.159 6.413) 10.249 6.722 ( 4.333 -7.490 4.692) 9.844 7.426 ( 7.380 12.432 -0.278) 14.461 7.650 ( 7.420 -9.550 -2.350) 12.320 7.752 ( -7.739 7.945 -3.105) 11.518 7.901 ( -7.039 -6.397 -3.438) 10.114 8.064 ( -2.403 4.795 2.576) 5.950 8.120 ( 0.001 -0.885 -0.536) 1.035 8.993 ( -4.278 6.601 2.651) 8.301 9.115 ( -2.112 -6.174 5.061) 8.258 9.543 ( -13.086 10.115 -0.347) 16.543 9.700 ( -10.201 2.916 1.410) 10.703 9.753 ( -9.509 1.348 -4.479) 10.597 10.016 ( -4.584 -12.699 2.902) 13.810 10.638 ( 9.413 16.879 -1.783) 19.408 10.911 ( 14.623 -6.762 -3.772) 16.546 11.205 ( 3.924 4.123 -0.267) 5.699 11.386 ( 4.372 -11.641 2.838) 12.754 12.697 ( -10.316 4.614 0.680) 11.321 12.751 ( -9.990 -0.650 1.843) 10.179 13.063 ( -5.560 -0.773 -1.603) 5.838 13.071 ( -5.551 -1.738 -3.022) 6.555 15.397 ( 12.087 7.596 -0.538) 14.286 15.549 ( 10.438 -7.517 -0.360) 12.868 15.765 ( -0.520 3.770 2.447) 4.524 15.819 ( -6.502 -1.637 1.640) 6.903 16.030 ( 14.680 -1.085 1.260) 14.774 16.086 ( 16.489 -6.365 -0.451) 17.680 16.892 ( -3.722 8.222 0.170) 9.027 17.038 ( -2.070 -6.507 -0.774) 6.872 21.207 ( 1.142 0.637 -0.210) 1.325 21.233 ( 2.001 -1.951 0.655) 2.870 23.255 ( -2.863 3.972 -1.264) 5.057 23.341 ( -1.105 -4.866 -1.888) 5.335 ======================= Grid point 251 (139/170) ======================= q-point: (-0.18 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.224 12.165 1.639) 12.277 2.332 ( 2.476 7.010 3.855) 8.375 2.371 ( 2.357 0.927 -1.650) 3.022 2.599 ( 4.667 -10.289 3.568) 11.848 2.645 ( 0.929 0.865 -1.595) 2.039 2.686 ( 4.028 -2.174 -3.433) 5.722 2.786 ( -3.163 -0.262 2.483) 4.030 2.874 ( -0.305 -4.681 4.009) 6.171 2.994 ( 2.546 -0.491 -7.655) 8.082 3.096 ( -1.080 -10.079 -8.992) 13.550 3.428 ( -1.184 4.296 -7.461) 8.691 3.520 ( -1.370 -5.723 -4.037) 7.136 3.867 ( 4.486 2.428 18.640) 19.325 3.891 ( 4.055 1.461 10.831) 11.657 4.282 ( 11.127 13.317 3.399) 17.683 4.375 ( 11.115 10.692 4.554) 16.081 4.705 ( -1.693 -5.132 3.595) 6.491 4.747 ( 4.855 -2.141 0.441) 5.325 5.200 ( -0.417 4.205 0.880) 4.316 5.225 ( -3.413 3.056 5.025) 6.800 5.443 ( -0.304 4.081 0.988) 4.209 5.594 ( -3.740 -9.643 -5.859) 11.887 5.822 ( 6.582 4.083 4.409) 8.913 5.925 ( 7.260 -5.212 2.781) 9.360 6.297 ( 3.826 1.273 -4.265) 5.869 6.332 ( 3.644 -2.836 -2.141) 5.090 6.701 ( 4.140 8.819 2.230) 9.994 6.858 ( 6.266 -7.682 1.935) 10.101 7.469 ( -11.333 12.456 0.402) 16.845 7.569 ( 3.920 10.846 -3.772) 12.134 7.674 ( -16.527 -8.116 -2.684) 18.607 7.770 ( 4.893 -8.745 -0.846) 10.056 8.015 ( -4.776 3.291 -2.115) 6.174 8.073 ( -1.907 -3.166 -5.260) 6.429 8.996 ( -1.805 12.332 5.322) 13.552 9.150 ( -3.762 -1.235 5.714) 6.952 9.338 ( -10.362 -0.574 2.087) 10.586 9.456 ( -12.397 -10.772 -6.157) 17.539 9.717 ( 0.724 17.241 4.111) 17.739 10.018 ( 0.182 -13.039 3.070) 13.397 10.739 ( 5.016 18.141 -0.428) 18.827 11.086 ( 11.445 -15.568 -4.642) 19.872 11.264 ( 7.565 9.102 -2.878) 12.180 11.472 ( 5.717 -11.716 -1.526) 13.126 12.536 ( -11.928 5.400 1.535) 13.184 12.601 ( -12.051 -0.889 2.743) 12.391 12.926 ( -6.199 0.936 -3.890) 7.378 12.969 ( -3.991 -3.197 -1.974) 5.481 15.557 ( 4.245 5.278 3.055) 7.430 15.616 ( -3.869 -1.341 5.782) 7.085 15.800 ( 3.020 3.880 4.121) 6.415 15.864 ( 10.105 -1.046 2.334) 10.424 16.326 ( 13.356 -0.190 -0.839) 13.384 16.340 ( 18.574 -1.849 -0.014) 18.665 16.857 ( 0.433 4.451 -0.277) 4.481 16.980 ( -2.438 -6.734 -2.680) 7.647 21.198 ( -1.118 3.364 -1.453) 3.831 21.247 ( -0.493 -1.551 -0.531) 1.712 23.187 ( -2.679 3.901 -2.866) 5.532 23.285 ( -1.691 -6.027 -4.151) 7.512 ======================= Grid point 252 (140/170) ======================= q-point: (-0.09 0.44 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.913 10.343 1.193) 10.451 2.304 ( -5.908 6.475 -5.993) 10.618 2.355 ( 0.815 0.899 -2.658) 2.922 2.587 ( -1.595 -7.933 -10.467) 13.230 2.642 ( -0.095 -1.178 -1.782) 2.138 2.685 ( -0.376 -1.655 2.012) 2.633 2.816 ( 3.055 0.928 -0.327) 3.209 2.950 ( 4.984 2.092 1.593) 5.635 2.986 ( -0.535 -13.621 -6.750) 15.211 3.023 ( 3.526 -4.527 0.529) 5.763 3.329 ( -1.613 3.609 -3.408) 5.219 3.413 ( -3.573 -5.059 -4.896) 7.894 4.111 ( 4.697 6.936 17.414) 19.324 4.160 ( 5.385 -0.077 19.587) 20.314 4.465 ( 6.132 12.467 6.783) 15.461 4.574 ( 5.968 9.248 5.489) 12.300 4.710 ( -3.997 0.916 5.601) 6.941 4.839 ( 3.638 -1.098 3.144) 4.932 5.135 ( -2.578 4.854 -4.005) 6.800 5.219 ( -4.421 -3.789 -1.461) 6.003 5.471 ( 0.739 2.640 2.674) 3.830 5.531 ( 0.017 -3.679 -0.116) 3.681 5.968 ( 6.066 4.825 1.930) 7.987 6.064 ( 6.484 -4.832 3.346) 8.751 6.390 ( 9.928 4.004 1.549) 10.817 6.488 ( 9.938 -4.979 4.260) 11.903 6.735 ( 2.751 10.267 -3.771) 11.278 6.916 ( 1.034 -7.966 -2.454) 8.399 7.216 ( -16.510 7.778 -0.060) 18.251 7.342 ( -18.651 -4.539 -2.616) 19.373 7.662 ( 8.122 10.821 -3.764) 14.044 7.836 ( 3.326 -5.941 -0.985) 6.879 7.884 ( -5.389 1.042 -4.220) 6.924 7.976 ( 1.229 -9.076 -8.368) 12.406 8.954 ( -7.802 13.662 -0.163) 15.734 9.110 ( -5.103 0.039 1.613) 5.352 9.222 ( -6.086 -0.369 0.447) 6.114 9.352 ( -1.355 -7.659 5.607) 9.588 9.804 ( 2.110 14.645 6.053) 15.987 10.059 ( -0.133 -11.658 2.598) 11.945 10.790 ( 0.968 15.505 1.181) 15.580 11.103 ( 1.434 -15.092 -7.778) 17.039 11.432 ( 14.141 4.691 -1.043) 14.936 11.562 ( 10.371 -8.131 -3.658) 13.677 12.340 ( -13.986 4.724 0.273) 14.765 12.424 ( -13.046 -3.493 0.627) 13.520 12.836 ( -1.072 4.249 -0.813) 4.457 12.913 ( -1.119 -3.671 -0.651) 3.893 15.628 ( -1.329 2.259 9.237) 9.601 15.653 ( -2.429 -0.566 10.975) 11.255 15.959 ( 8.807 7.154 2.702) 11.664 16.038 ( 7.395 -0.074 1.315) 7.511 16.407 ( 1.377 10.498 -2.598) 10.902 16.568 ( 9.584 -7.356 -3.083) 12.469 16.899 ( 3.157 -0.740 -0.386) 3.266 16.943 ( 3.127 -4.489 -2.480) 6.007 21.151 ( -1.868 5.584 -1.994) 6.217 21.210 ( -2.170 -0.373 -1.867) 2.887 23.116 ( -1.673 2.613 -3.330) 4.551 23.205 ( -1.395 -6.325 -5.411) 8.440 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -0.185 0.000 -23.601) 23.602 1.755 ( 0.185 0.000 23.601) 23.602 1.901 ( -2.543 0.000 -25.016) 25.145 1.901 ( 2.543 0.000 25.016) 25.145 2.786 ( -2.798 0.000 -2.284) 3.611 2.786 ( 2.798 0.000 2.284) 3.611 3.232 ( -1.271 0.000 -4.995) 5.154 3.232 ( 1.271 0.000 4.995) 5.154 3.462 ( 9.343 0.000 -35.898) 37.094 3.462 ( -9.343 0.000 35.898) 37.094 3.609 ( -0.997 0.000 -3.463) 3.604 3.609 ( 0.997 0.000 3.463) 3.604 3.886 ( -2.088 0.000 -9.933) 10.150 3.886 ( 2.088 0.000 9.933) 10.150 4.195 ( 2.058 0.000 -2.547) 3.275 4.195 ( -2.058 0.000 2.547) 3.275 4.626 ( -10.803 0.000 -3.964) 11.507 4.626 ( 10.803 0.000 3.964) 11.507 4.947 ( -9.019 0.000 -11.035) 14.251 4.947 ( 9.019 0.000 11.035) 14.251 5.425 ( -5.059 0.000 -16.357) 17.122 5.425 ( 5.059 0.000 16.357) 17.122 5.664 ( 0.082 0.000 -14.776) 14.776 5.664 ( -0.082 0.000 14.776) 14.776 6.290 ( -3.852 0.000 -13.354) 13.899 6.290 ( 3.852 0.000 13.354) 13.899 6.692 ( -0.889 0.000 -6.407) 6.469 6.692 ( 0.889 0.000 6.407) 6.469 7.007 ( 2.868 0.000 -2.469) 3.784 7.007 ( -2.868 0.000 2.469) 3.784 7.339 ( 3.349 0.000 -5.126) 6.123 7.339 ( -3.349 0.000 5.126) 6.123 8.276 ( -1.463 0.000 0.113) 1.468 8.276 ( 1.463 0.000 -0.113) 1.468 8.473 ( -3.833 0.000 -23.471) 23.782 8.473 ( 3.833 0.000 23.471) 23.782 9.045 ( 3.734 0.000 -8.904) 9.655 9.045 ( -3.734 0.000 8.904) 9.655 9.689 ( -1.568 0.000 -16.928) 17.000 9.689 ( 1.568 0.000 16.928) 17.000 11.308 ( 2.398 0.000 -11.413) 11.662 11.308 ( -2.398 0.000 11.413) 11.662 11.931 ( 6.754 0.000 -10.229) 12.257 11.931 ( -6.754 0.000 10.229) 12.257 12.366 ( 7.055 0.000 -10.790) 12.892 12.366 ( -7.055 0.000 10.790) 12.892 12.686 ( -2.176 0.000 -11.737) 11.937 12.686 ( 2.176 0.000 11.737) 11.937 15.190 ( -0.474 0.000 -2.324) 2.371 15.190 ( 0.474 0.000 2.324) 2.371 15.767 ( -0.798 0.000 -0.697) 1.060 15.767 ( 0.798 0.000 0.697) 1.060 16.382 ( 0.084 0.000 -22.086) 22.086 16.382 ( -0.084 0.000 22.086) 22.086 17.143 ( 0.847 0.000 -1.749) 1.943 17.143 ( -0.847 0.000 1.749) 1.943 20.891 ( -1.713 0.000 -2.467) 3.003 20.891 ( 1.713 0.000 2.467) 3.003 23.322 ( -0.300 0.000 -4.973) 4.982 23.322 ( 0.300 0.000 4.973) 4.982 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 10.513 0.000 -23.179) 25.452 1.614 ( 5.111 0.000 -26.584) 27.070 2.078 ( 6.243 0.000 20.312) 21.250 2.245 ( 7.056 0.000 21.540) 22.666 2.732 ( -3.279 0.000 1.902) 3.790 2.837 ( -2.783 0.000 4.463) 5.260 3.055 ( 6.186 0.000 -23.596) 24.393 3.205 ( -6.680 0.000 0.792) 6.727 3.290 ( 9.904 0.000 -24.830) 26.732 3.585 ( -0.499 0.000 -0.430) 0.659 3.605 ( -5.481 0.000 10.860) 12.165 3.769 ( 2.966 0.000 13.768) 14.084 3.780 ( 2.408 0.000 -10.499) 10.771 4.010 ( -8.925 0.000 0.767) 8.957 4.107 ( -1.105 0.000 2.179) 2.443 4.114 ( -15.082 0.000 5.003) 15.890 4.347 ( -9.504 0.000 -8.923) 13.037 4.651 ( -3.693 0.000 2.767) 4.615 4.820 ( 2.230 0.000 -4.690) 5.193 5.108 ( -2.389 0.000 6.368) 6.802 5.213 ( -2.005 0.000 -12.414) 12.575 5.558 ( 8.140 0.000 -18.099) 19.845 5.714 ( 5.740 0.000 17.200) 18.132 5.936 ( 14.629 0.000 12.426) 19.194 6.246 ( 14.075 0.000 -6.237) 15.395 6.441 ( -3.077 0.000 7.822) 8.405 6.676 ( 4.230 0.000 -5.108) 6.632 6.931 ( 7.393 0.000 7.950) 10.856 6.960 ( -3.129 0.000 -3.464) 4.668 6.976 ( 6.611 0.000 5.531) 8.620 7.251 ( -14.236 0.000 2.505) 14.455 7.308 ( 2.567 0.000 -7.080) 7.531 8.218 ( 1.237 0.000 -13.634) 13.690 8.270 ( -0.023 0.000 -4.925) 4.925 8.297 ( 1.201 0.000 -0.235) 1.224 8.781 ( 0.372 0.000 16.418) 16.422 9.042 ( 7.854 0.000 -8.578) 11.631 9.177 ( 8.684 0.000 12.772) 15.444 9.433 ( -8.621 0.000 -9.369) 12.732 9.830 ( -7.513 0.000 18.271) 19.756 11.122 ( -6.421 0.000 -15.991) 17.233 11.329 ( -5.954 0.000 5.563) 8.148 11.813 ( -8.328 0.000 -6.938) 10.839 11.947 ( -2.935 0.000 11.227) 11.604 12.455 ( 8.822 0.000 -8.706) 12.395 12.544 ( 5.908 0.000 -10.521) 12.066 12.546 ( 12.387 0.000 9.069) 15.352 12.837 ( 1.427 0.000 10.253) 10.352 15.195 ( 4.029 0.000 -1.840) 4.429 15.259 ( 4.919 0.000 2.341) 5.447 15.743 ( -0.712 0.000 -1.003) 1.230 15.775 ( -0.037 0.000 -0.575) 0.576 16.185 ( 7.143 0.000 -23.040) 24.122 16.638 ( 4.006 0.000 16.886) 17.355 17.112 ( -2.384 0.000 -1.627) 2.886 17.128 ( -3.782 0.000 2.408) 4.484 20.875 ( 3.271 0.000 -2.389) 4.051 20.978 ( 5.769 0.000 2.443) 6.265 23.265 ( -1.081 0.000 -3.191) 3.369 23.381 ( -0.878 0.000 6.287) 6.348 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 15.160 0.000 -20.991) 25.894 1.547 ( 14.766 0.000 -18.970) 24.040 2.356 ( 2.956 0.000 16.073) 16.343 2.556 ( 5.200 0.000 14.341) 15.254 2.728 ( -1.910 0.000 4.464) 4.856 2.823 ( 2.423 0.000 -0.897) 2.584 3.034 ( 18.819 0.000 -19.456) 27.068 3.082 ( -6.939 0.000 -2.078) 7.244 3.184 ( 3.294 0.000 -12.218) 12.654 3.437 ( -22.025 0.000 -7.596) 23.298 3.568 ( -0.629 0.000 -1.316) 1.459 3.658 ( -8.028 0.000 -10.003) 12.826 3.771 ( -10.575 0.000 8.305) 13.447 3.896 ( -5.254 0.000 -1.109) 5.370 3.923 ( 4.370 0.000 -0.379) 4.386 4.228 ( 0.874 0.000 -4.269) 4.357 4.232 ( 5.040 0.000 4.080) 6.485 4.722 ( 1.845 0.000 -0.996) 2.097 4.770 ( 3.978 0.000 -3.155) 5.077 5.043 ( -8.505 0.000 -0.897) 8.552 5.096 ( 0.026 0.000 -5.303) 5.303 5.585 ( 12.380 0.000 -4.391) 13.136 5.953 ( 2.557 0.000 14.401) 14.626 6.206 ( -5.283 0.000 9.007) 10.443 6.431 ( 9.100 0.000 -3.993) 9.938 6.472 ( 9.010 0.000 -0.234) 9.013 6.695 ( 7.374 0.000 -3.182) 8.031 6.895 ( -11.280 0.000 -3.498) 11.810 6.952 ( 6.996 0.000 -1.389) 7.133 7.007 ( -10.915 0.000 6.533) 12.721 7.256 ( 1.752 0.000 -9.083) 9.250 7.396 ( 18.458 0.000 10.507) 21.239 8.126 ( 6.093 0.000 -13.049) 14.401 8.235 ( -1.503 0.000 -0.207) 1.517 8.286 ( -1.550 0.000 -1.886) 2.441 8.784 ( -8.536 0.000 3.829) 9.356 9.111 ( 12.707 0.000 -7.715) 14.866 9.277 ( 0.588 0.000 1.375) 1.495 9.640 ( 15.915 0.000 20.450) 25.914 9.881 ( -11.451 0.000 18.962) 22.151 10.801 ( -9.419 0.000 -17.612) 19.972 11.231 ( -9.943 0.000 -2.103) 10.163 11.603 ( -8.950 0.000 -3.335) 9.551 12.015 ( -6.589 0.000 6.880) 9.526 12.410 ( 6.453 0.000 -5.108) 8.230 12.696 ( 14.771 0.000 -3.677) 15.221 12.846 ( 13.166 0.000 6.063) 14.495 12.954 ( 0.306 0.000 8.509) 8.515 15.271 ( 7.714 0.000 -1.574) 7.873 15.389 ( 8.454 0.000 1.855) 8.655 15.739 ( 3.174 0.000 -2.465) 4.019 15.763 ( 2.144 0.000 -3.351) 3.978 16.105 ( 11.701 0.000 -18.800) 22.144 16.827 ( 0.743 0.000 8.016) 8.050 17.031 ( -5.611 0.000 -1.717) 5.868 17.090 ( -5.102 0.000 4.534) 6.826 20.943 ( 7.969 0.000 -1.425) 8.096 21.116 ( 8.005 0.000 2.431) 8.366 23.222 ( -1.192 0.000 -1.238) 1.719 23.429 ( -2.330 0.000 6.818) 7.205 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 17.240 0.000 -18.939) 25.611 1.620 ( 20.254 0.000 -10.678) 22.897 2.524 ( -1.049 0.000 11.813) 11.860 2.644 ( -3.166 0.000 -1.607) 3.550 2.755 ( -1.619 0.000 4.356) 4.647 2.873 ( -2.921 0.000 6.754) 7.359 2.967 ( -11.451 0.000 -0.772) 11.477 2.988 ( -13.266 0.000 -7.010) 15.004 3.142 ( -0.854 0.000 2.653) 2.787 3.191 ( 15.996 0.000 -10.003) 18.867 3.414 ( -8.399 0.000 -1.038) 8.463 3.577 ( 11.483 0.000 -9.488) 14.896 3.624 ( -10.113 0.000 -9.762) 14.056 3.946 ( 11.935 0.000 -3.855) 12.542 3.965 ( 1.919 0.000 1.126) 2.225 4.233 ( 3.788 0.000 -2.058) 4.310 4.364 ( 5.208 0.000 4.668) 6.994 4.628 ( 0.314 0.000 -7.760) 7.766 4.855 ( -9.555 0.000 -5.670) 11.111 4.914 ( 5.616 0.000 3.967) 6.876 5.107 ( 4.980 0.000 0.309) 4.989 5.777 ( 10.433 0.000 1.215) 10.503 6.048 ( -15.416 0.000 4.347) 16.017 6.120 ( 1.092 0.000 6.837) 6.924 6.498 ( 4.547 0.000 4.884) 6.673 6.535 ( -8.346 0.000 -11.951) 14.577 6.612 ( -1.659 0.000 -0.696) 1.799 6.777 ( 1.129 0.000 -0.374) 1.189 7.042 ( 3.323 0.000 -6.585) 7.376 7.109 ( 1.625 0.000 14.712) 14.801 7.229 ( 12.538 0.000 -8.779) 15.305 7.705 ( 8.455 0.000 5.929) 10.326 8.109 ( 6.161 0.000 -8.113) 10.187 8.233 ( 2.143 0.000 0.015) 2.143 8.239 ( -1.581 0.000 -0.173) 1.591 8.728 ( -5.652 0.000 6.912) 8.929 9.276 ( 17.208 0.000 -5.702) 18.128 9.354 ( 4.705 0.000 1.507) 4.941 9.897 ( -13.287 0.000 18.947) 23.141 10.026 ( 6.528 0.000 9.263) 11.332 10.510 ( -1.430 0.000 -11.997) 12.082 10.988 ( -10.903 0.000 -8.691) 13.943 11.475 ( -5.036 0.000 -1.232) 5.185 11.866 ( -13.223 0.000 -1.094) 13.268 12.571 ( 11.023 0.000 4.427) 11.879 12.865 ( 10.104 0.000 -1.973) 10.295 13.018 ( -0.969 0.000 6.777) 6.846 13.081 ( 7.962 0.000 3.146) 8.562 15.392 ( 10.403 0.000 -2.455) 10.688 15.553 ( 9.777 0.000 1.086) 9.837 15.799 ( 6.233 0.000 -1.623) 6.441 15.802 ( 8.856 0.000 -3.220) 9.424 16.128 ( 12.906 0.000 -12.522) 17.983 16.821 ( -6.376 0.000 0.996) 6.453 16.901 ( -8.112 0.000 -1.906) 8.333 17.064 ( -5.618 0.000 3.945) 6.865 21.082 ( 10.302 0.000 -0.345) 10.308 21.268 ( 7.412 0.000 2.258) 7.748 23.206 ( -0.140 0.000 0.452) 0.473 23.452 ( -3.954 0.000 6.174) 7.331 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 21.643 0.000 -15.783) 26.787 1.862 ( 18.642 0.000 -2.938) 18.873 2.499 ( -16.225 0.000 4.880) 16.943 2.506 ( -6.485 0.000 -6.450) 9.147 2.720 ( -2.342 0.000 0.103) 2.344 2.824 ( 1.401 0.000 3.857) 4.103 2.826 ( -11.200 0.000 4.607) 12.111 2.944 ( 0.320 0.000 0.135) 0.347 3.103 ( -11.489 0.000 11.238) 16.071 3.229 ( -2.336 0.000 -2.286) 3.268 3.311 ( -6.871 0.000 -16.363) 17.747 3.380 ( 0.525 0.000 -1.809) 1.883 3.755 ( 16.817 0.000 -6.092) 17.887 4.001 ( -0.597 0.000 2.562) 2.631 4.163 ( 21.552 0.000 -6.423) 22.489 4.327 ( 13.292 0.000 -0.940) 13.326 4.448 ( 1.137 0.000 0.732) 1.353 4.590 ( 0.594 0.000 -2.331) 2.405 4.658 ( -6.816 0.000 -5.169) 8.555 5.023 ( 1.210 0.000 6.599) 6.709 5.218 ( 5.698 0.000 2.726) 6.316 5.829 ( -12.074 0.000 -2.711) 12.375 5.901 ( 5.970 0.000 -0.310) 5.978 6.174 ( -3.017 0.000 3.691) 4.767 6.294 ( -9.302 0.000 -1.798) 9.474 6.552 ( -10.815 0.000 0.172) 10.816 6.607 ( 3.938 0.000 -3.688) 5.395 6.820 ( 6.943 0.000 2.915) 7.530 7.007 ( 4.912 0.000 -0.995) 5.011 7.286 ( -0.806 0.000 14.265) 14.288 7.370 ( 14.563 0.000 -9.402) 17.335 7.787 ( -2.609 0.000 0.982) 2.787 8.130 ( 4.967 0.000 -4.190) 6.498 8.231 ( -1.675 0.000 1.979) 2.593 8.319 ( 8.476 0.000 0.639) 8.500 8.737 ( -4.506 0.000 7.313) 8.590 9.403 ( 2.834 0.000 -4.150) 5.025 9.485 ( 14.455 0.000 -4.609) 15.172 9.858 ( -16.727 0.000 16.096) 23.214 9.973 ( -3.899 0.000 -9.394) 10.170 10.601 ( 11.430 0.000 3.214) 11.873 10.788 ( -1.511 0.000 -6.607) 6.777 11.392 ( -2.732 0.000 -3.186) 4.197 11.629 ( -15.532 0.000 0.285) 15.534 12.797 ( 10.897 0.000 4.360) 11.737 12.970 ( 6.459 0.000 -1.999) 6.762 13.050 ( -3.621 0.000 6.052) 7.052 13.182 ( 2.723 0.000 -0.459) 2.762 15.543 ( 11.979 0.000 -2.390) 12.215 15.704 ( 7.580 0.000 0.581) 7.602 15.908 ( 5.761 0.000 2.834) 6.420 15.925 ( 10.905 0.000 -4.515) 11.803 16.235 ( 13.099 0.000 -5.081) 14.050 16.696 ( -8.797 0.000 -0.583) 8.817 16.749 ( -7.659 0.000 -2.088) 7.939 16.967 ( -9.693 0.000 0.239) 9.696 21.240 ( 9.796 0.000 -0.488) 9.809 21.382 ( 3.708 0.000 1.967) 4.197 23.231 ( 2.187 0.000 1.198) 2.494 23.436 ( -5.441 0.000 4.236) 6.895 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 23.912 0.000 -6.466) 24.770 2.103 ( 11.978 0.000 -0.022) 11.978 2.274 ( -19.220 0.000 6.435) 20.269 2.328 ( -7.392 0.000 -5.644) 9.300 2.628 ( 0.856 0.000 -8.590) 8.633 2.672 ( -12.030 0.000 4.187) 12.738 2.952 ( 7.764 0.000 -1.488) 7.905 3.023 ( 5.559 0.000 9.759) 11.231 3.038 ( -11.259 0.000 9.060) 14.452 3.156 ( 1.956 0.000 -5.485) 5.823 3.159 ( -4.276 0.000 0.762) 4.343 3.270 ( -5.030 0.000 -11.152) 12.233 3.903 ( 6.925 0.000 0.467) 6.941 3.988 ( -3.159 0.000 -0.043) 3.159 4.372 ( 13.423 0.000 -4.257) 14.082 4.458 ( -0.687 0.000 1.494) 1.644 4.526 ( -2.959 0.000 -1.535) 3.334 4.535 ( -5.084 0.000 -1.079) 5.197 4.693 ( 25.596 0.000 -0.257) 25.597 5.006 ( -12.316 0.000 1.915) 12.464 5.380 ( 7.031 0.000 9.433) 11.765 5.608 ( -8.575 0.000 -8.364) 11.978 5.991 ( 6.495 0.000 -0.497) 6.514 6.099 ( -8.391 0.000 1.466) 8.518 6.228 ( -0.169 0.000 2.531) 2.536 6.335 ( -9.391 0.000 -3.877) 10.160 6.678 ( 5.562 0.000 2.177) 5.972 6.799 ( -2.871 0.000 -6.082) 6.726 7.266 ( 10.932 0.000 10.457) 15.129 7.378 ( -4.705 0.000 9.277) 10.402 7.472 ( 13.516 0.000 -9.543) 16.546 7.660 ( -11.243 0.000 -2.868) 11.603 8.170 ( 4.824 0.000 -2.817) 5.586 8.212 ( -3.762 0.000 2.291) 4.405 8.499 ( 12.021 0.000 1.569) 12.123 8.686 ( -9.610 0.000 1.587) 9.740 9.412 ( 4.501 0.000 -0.144) 4.504 9.533 ( -2.306 0.000 -6.266) 6.677 9.798 ( -8.273 0.000 13.674) 15.982 9.855 ( 2.661 0.000 -10.745) 11.070 10.778 ( 6.404 0.000 0.565) 6.429 10.791 ( 3.254 0.000 0.226) 3.262 11.334 ( 3.299 0.000 -6.042) 6.884 11.412 ( -13.862 0.000 4.286) 14.509 12.980 ( 9.324 0.000 -2.539) 9.664 13.040 ( -5.787 0.000 5.730) 8.144 13.050 ( 4.447 0.000 3.078) 5.408 13.159 ( -2.497 0.000 -3.721) 4.481 15.699 ( 9.235 0.000 -1.065) 9.296 15.773 ( -0.383 0.000 0.393) 0.549 16.008 ( 0.272 0.000 5.406) 5.413 16.015 ( 7.369 0.000 -5.988) 9.495 16.411 ( 10.150 0.000 1.454) 10.253 16.554 ( -7.203 0.000 -1.719) 7.406 16.661 ( 1.716 0.000 -1.980) 2.620 16.784 ( -12.228 0.000 -0.276) 12.231 21.364 ( 6.800 0.000 -1.160) 6.898 21.418 ( -1.788 0.000 1.651) 2.434 23.297 ( 4.732 0.000 0.434) 4.752 23.377 ( -5.953 0.000 1.674) 6.184 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.182 6.629 -22.358) 23.350 1.823 ( 1.182 6.629 22.358) 23.350 2.019 ( -0.272 9.688 -22.987) 24.946 2.019 ( 0.272 9.688 22.987) 24.946 2.788 ( -1.710 0.759 -2.958) 3.500 2.788 ( 1.710 0.759 2.958) 3.500 3.142 ( 0.598 -8.870 -6.245) 10.865 3.142 ( -0.598 -8.870 6.245) 10.865 3.517 ( -1.004 0.551 -15.852) 15.893 3.517 ( 1.004 0.551 15.852) 15.893 3.590 ( 7.008 1.547 -8.884) 11.421 3.590 ( -7.008 1.547 8.884) 11.421 3.815 ( -1.913 -4.858 -9.370) 10.727 3.815 ( 1.913 -4.858 9.370) 10.727 4.270 ( 1.392 7.713 -3.600) 8.625 4.270 ( -1.392 7.713 3.600) 8.625 4.622 ( -8.462 0.292 -3.948) 9.342 4.622 ( 8.462 0.292 3.948) 9.342 4.924 ( -9.073 -1.883 -10.330) 13.877 4.924 ( 9.073 -1.883 10.330) 13.877 5.428 ( -5.097 0.439 -9.757) 11.017 5.428 ( 5.097 0.439 9.757) 11.017 5.780 ( 1.149 10.619 -9.464) 14.271 5.780 ( -1.149 10.619 9.464) 14.271 6.315 ( -1.668 2.590 -12.107) 12.493 6.315 ( 1.668 2.590 12.107) 12.493 6.687 ( -2.865 0.389 -6.911) 7.491 6.687 ( 2.865 0.389 6.911) 7.491 7.179 ( -3.557 13.051 -3.312) 13.927 7.179 ( 3.557 13.051 3.312) 13.927 7.330 ( -5.904 0.337 -4.049) 7.167 7.330 ( 5.904 0.337 4.049) 7.167 8.274 ( -2.679 0.074 -5.471) 6.092 8.274 ( 2.679 0.074 5.471) 6.092 8.483 ( -2.691 1.249 -19.007) 19.237 8.483 ( 2.691 1.249 19.007) 19.237 9.058 ( 3.851 1.178 -7.948) 8.910 9.058 ( -3.851 1.178 7.948) 8.910 9.710 ( -2.436 2.546 -16.635) 17.004 9.710 ( 2.436 2.546 16.635) 17.004 11.265 ( 3.078 -4.272 -11.936) 13.045 11.265 ( -3.078 -4.272 11.936) 13.045 11.892 ( 4.793 -3.881 -10.051) 11.792 11.892 ( -4.793 -3.881 10.051) 11.792 12.354 ( 7.058 -1.444 -10.497) 12.732 12.354 ( -7.058 -1.444 10.497) 12.732 12.709 ( -2.230 2.445 -10.451) 10.963 12.709 ( 2.230 2.445 10.451) 10.963 15.301 ( -1.861 10.759 -2.869) 11.290 15.301 ( 1.861 10.759 2.869) 11.290 15.795 ( -1.531 2.941 -1.106) 3.495 15.795 ( 1.531 2.941 1.106) 3.495 16.390 ( 0.358 0.822 -22.050) 22.068 16.390 ( -0.358 0.822 22.050) 22.068 17.125 ( -0.118 -1.803 -1.982) 2.682 17.125 ( 0.118 -1.803 1.982) 2.681 20.882 ( -1.466 -0.349 -3.818) 4.104 20.882 ( 1.466 -0.349 3.818) 4.104 23.300 ( -0.248 -2.353 -5.044) 5.571 23.300 ( 0.248 -2.353 5.044) 5.571 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 8.772 9.089 -19.401) 23.151 1.798 ( 5.991 14.369 -24.251) 28.818 2.127 ( 5.223 5.208 19.844) 21.170 2.301 ( 5.175 3.789 20.059) 21.060 2.740 ( -2.747 0.629 1.157) 3.046 2.828 ( -3.061 -0.039 4.432) 5.387 3.041 ( 0.292 -3.733 -9.312) 10.036 3.119 ( -4.976 -7.076 -2.062) 8.893 3.316 ( 7.998 3.024 -23.722) 25.216 3.516 ( -0.631 -4.889 -2.347) 5.460 3.606 ( -3.050 -3.007 0.326) 4.296 3.682 ( 4.771 -8.395 -2.098) 9.882 3.811 ( 0.848 5.432 7.593) 9.375 3.934 ( -2.220 -7.666 3.545) 8.733 4.143 ( -10.325 6.253 -3.956) 12.703 4.183 ( -14.423 6.719 3.470) 16.285 4.446 ( -4.345 7.988 -5.473) 10.613 4.668 ( -0.784 2.138 3.652) 4.304 4.798 ( 1.953 -1.038 -3.526) 4.162 5.082 ( -1.060 -2.218 3.640) 4.392 5.253 ( -2.917 3.561 -8.428) 9.603 5.556 ( 7.831 -0.196 -6.552) 10.212 5.789 ( 2.867 6.895 4.780) 8.866 5.986 ( 12.659 5.402 8.699) 16.282 6.278 ( 7.360 2.649 -1.579) 7.980 6.442 ( -0.464 -0.239 6.035) 6.057 6.649 ( 5.415 0.244 -5.393) 7.647 6.938 ( 13.118 0.706 9.744) 16.356 7.088 ( -10.738 -0.712 -8.244) 13.556 7.105 ( -1.842 7.243 -1.057) 7.548 7.239 ( -0.969 17.117 2.672) 17.351 7.402 ( 3.050 5.948 -2.998) 7.326 8.193 ( -2.534 -3.014 -4.611) 6.064 8.216 ( -2.423 -3.928 -10.995) 11.925 8.443 ( 5.635 12.840 3.730) 14.510 8.724 ( -0.632 -4.750 15.325) 16.057 9.069 ( 7.760 2.513 -7.497) 11.079 9.177 ( 7.146 -0.173 11.089) 13.194 9.453 ( -8.507 2.517 -9.196) 12.777 9.876 ( -4.861 4.462 17.629) 18.824 11.081 ( -6.558 -4.046 -16.219) 17.957 11.288 ( -6.286 -4.179 6.986) 10.286 11.751 ( -7.481 -5.637 -7.750) 12.157 11.920 ( -3.783 -3.142 9.953) 11.102 12.454 ( 13.977 -2.035 -6.474) 15.537 12.520 ( 9.576 -0.533 0.510) 9.604 12.574 ( 2.877 2.653 -3.486) 5.241 12.849 ( 1.544 1.234 9.332) 9.539 15.262 ( 0.663 7.289 -2.148) 7.628 15.387 ( 4.597 11.555 2.855) 12.759 15.748 ( -1.964 0.778 -1.193) 2.426 15.812 ( 0.147 3.572 -1.070) 3.732 16.200 ( 7.286 1.521 -22.699) 23.888 16.643 ( 3.829 0.425 16.805) 17.241 17.066 ( -4.689 -3.944 -1.037) 6.215 17.122 ( -3.408 -1.376 1.717) 4.057 20.869 ( 4.739 -0.036 -2.669) 5.439 20.985 ( 5.973 0.967 3.544) 7.012 23.243 ( -1.116 -2.329 -3.050) 3.997 23.360 ( -0.724 -2.182 6.284) 6.691 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 13.212 11.179 -15.017) 22.914 1.686 ( 11.357 14.091 -20.652) 27.460 2.375 ( 1.646 1.838 15.269) 15.467 2.587 ( 4.374 2.333 13.315) 14.208 2.726 ( -1.949 -2.196 4.303) 5.210 2.825 ( -0.153 0.421 2.047) 2.095 2.990 ( 6.196 -2.526 -12.193) 13.908 3.039 ( -1.221 -4.317 1.980) 4.904 3.190 ( -0.081 -0.056 -12.925) 12.926 3.438 ( -12.681 -1.023 -9.402) 15.819 3.502 ( 3.085 -4.293 -4.242) 6.778 3.664 ( -10.998 0.578 -7.114) 13.111 3.762 ( 5.481 -3.959 0.944) 6.827 3.898 ( -12.039 1.582 -0.499) 12.153 3.973 ( 3.157 6.426 -2.538) 7.596 4.092 ( -2.641 -4.141 2.945) 5.727 4.385 ( 1.603 5.553 -3.039) 6.530 4.740 ( -1.526 1.248 -6.023) 6.337 4.799 ( 6.002 5.297 4.844) 9.356 5.031 ( -4.614 0.118 -0.179) 4.619 5.150 ( -0.961 4.092 -5.015) 6.543 5.628 ( 10.879 4.137 -3.088) 12.042 5.928 ( 1.902 -1.843 11.074) 11.387 6.218 ( -2.650 1.325 4.769) 5.614 6.349 ( 5.520 -2.250 1.586) 6.168 6.509 ( 3.232 -4.677 0.729) 5.732 6.721 ( 2.043 -3.394 -6.215) 7.370 6.819 ( -1.895 2.300 -3.059) 4.271 7.004 ( -1.630 6.667 -4.849) 8.404 7.249 ( 0.403 21.727 5.052) 22.311 7.252 ( 5.230 -1.176 -2.555) 5.939 7.499 ( 14.295 9.028 2.594) 17.105 8.012 ( -4.598 -4.940 -8.717) 11.025 8.179 ( 0.884 -4.499 -2.262) 5.113 8.557 ( 3.671 18.360 2.419) 18.879 8.749 ( -7.775 -3.023 4.983) 9.717 9.131 ( 11.016 2.291 -6.909) 13.203 9.260 ( 0.942 -0.362 0.420) 1.093 9.607 ( 13.335 -3.177 19.128) 23.533 9.964 ( -7.847 7.251 17.070) 20.138 10.752 ( -10.053 -4.657 -17.475) 20.691 11.207 ( -10.141 -2.515 -0.659) 10.469 11.542 ( -7.889 -5.742 -3.994) 10.543 11.977 ( -5.575 -4.131 7.243) 10.030 12.460 ( 5.710 4.788 -6.030) 9.586 12.632 ( 14.208 -5.308 -5.262) 16.055 12.842 ( 13.518 -0.655 6.072) 14.834 12.961 ( 0.481 0.617 8.016) 8.054 15.275 ( 4.000 1.793 -2.057) 4.842 15.501 ( 5.708 9.471 2.635) 11.368 15.728 ( 2.336 -0.445 -2.100) 3.173 15.792 ( 2.483 2.493 -4.552) 5.753 16.122 ( 11.402 1.887 -18.458) 21.778 16.800 ( -2.906 -3.599 4.802) 6.667 16.992 ( -3.455 -2.784 1.989) 4.862 17.066 ( -6.289 -2.779 3.729) 7.822 20.967 ( 9.070 2.113 -0.148) 9.314 21.130 ( 7.476 1.591 2.804) 8.142 23.202 ( -0.985 -1.963 -1.074) 2.445 23.411 ( -2.118 -1.846 6.878) 7.430 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 14.819 9.216 -18.013) 25.080 1.731 ( 16.157 9.777 -10.790) 21.750 2.525 ( -1.125 -0.452 11.033) 11.099 2.616 ( -5.535 -2.485 -1.689) 6.298 2.767 ( -2.675 0.413 3.095) 4.112 2.851 ( -3.567 -2.748 6.373) 7.803 2.955 ( -13.568 -1.514 -1.380) 13.722 3.006 ( -1.702 2.877 -1.301) 3.586 3.083 ( 0.329 -4.957 4.459) 6.675 3.246 ( 0.921 3.119 -3.850) 5.040 3.433 ( -8.792 1.970 -4.139) 9.915 3.546 ( 17.445 -0.427 -13.572) 22.107 3.691 ( -10.636 4.580 -6.810) 13.434 3.909 ( 12.278 -5.070 -3.861) 13.833 3.960 ( 5.249 1.050 -6.381) 8.329 4.093 ( 0.382 -8.340 -0.226) 8.352 4.457 ( 5.368 2.653 5.712) 8.275 4.656 ( -0.814 4.187 -4.998) 6.571 4.797 ( -7.711 -0.044 -1.723) 7.901 5.048 ( 6.673 7.594 -0.379) 10.117 5.137 ( 1.928 4.104 0.950) 4.632 5.796 ( 8.513 2.497 1.850) 9.063 6.047 ( -9.458 -1.164 7.457) 12.100 6.087 ( -2.484 -2.211 1.093) 3.501 6.369 ( -9.266 -11.531 -6.991) 16.361 6.510 ( 3.328 -3.561 1.774) 5.187 6.625 ( -0.687 0.363 0.961) 1.236 6.851 ( 1.274 5.706 -7.557) 9.554 6.994 ( 0.582 0.693 3.948) 4.050 7.262 ( 8.562 6.678 -6.829) 12.827 7.371 ( 7.151 16.789 3.055) 18.502 7.729 ( 5.631 2.857 4.265) 7.620 7.907 ( 1.651 -7.340 -4.354) 8.693 8.174 ( 1.002 -2.165 -1.399) 2.766 8.607 ( 2.661 20.798 -0.806) 20.983 8.720 ( -4.037 -0.700 7.881) 8.882 9.277 ( 15.360 0.431 -4.990) 16.156 9.346 ( 5.156 1.129 3.116) 6.129 9.966 ( 5.909 -5.600 7.758) 11.246 10.012 ( -8.720 9.593 18.175) 22.325 10.449 ( -3.001 -5.657 -12.351) 13.912 10.964 ( -11.208 -2.587 -8.560) 14.338 11.436 ( -4.595 -3.877 0.167) 6.014 11.854 ( -12.483 -1.644 -0.765) 12.614 12.596 ( 10.672 2.490 3.393) 11.472 12.787 ( 11.406 -6.540 -3.686) 13.655 13.026 ( -0.257 0.795 6.210) 6.266 13.084 ( 8.127 -0.192 3.694) 8.929 15.340 ( 7.307 -3.733 -2.348) 8.534 15.614 ( 6.396 4.415 0.627) 7.797 15.780 ( 6.679 -0.838 -1.736) 6.951 15.827 ( 7.749 1.673 -3.142) 8.528 16.141 ( 12.187 1.536 -12.350) 17.419 16.684 ( -9.958 -11.019 -2.028) 14.990 16.918 ( -8.053 -1.773 0.282) 8.251 17.058 ( -3.572 0.169 4.746) 5.943 21.123 ( 9.291 3.211 0.930) 9.874 21.268 ( 6.374 0.253 2.046) 6.699 23.194 ( 0.355 -1.164 0.584) 1.350 23.440 ( -3.640 -1.338 6.247) 7.353 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 19.631 6.372 -15.436) 25.773 1.911 ( 16.056 4.264 -3.615) 17.001 2.460 ( -8.102 -3.667 -4.241) 9.853 2.513 ( -13.766 0.945 4.338) 14.464 2.727 ( -2.070 -0.227 1.012) 2.316 2.798 ( -3.171 -1.253 5.163) 6.188 2.871 ( -5.681 2.467 3.367) 7.050 2.965 ( -1.735 2.825 -0.823) 3.416 3.104 ( -8.027 -0.293 9.346) 12.324 3.179 ( -6.647 -4.741 0.499) 8.180 3.276 ( -3.743 -1.013 -12.685) 13.264 3.466 ( -3.734 5.375 -6.572) 9.275 3.721 ( 13.870 -1.975 -6.493) 15.442 3.958 ( -1.546 -4.574 0.435) 4.848 4.110 ( 17.672 -6.828 -6.914) 20.167 4.212 ( 19.928 -6.569 -0.811) 20.998 4.559 ( -1.565 5.613 -0.849) 5.889 4.609 ( 0.174 2.734 -0.178) 2.745 4.687 ( -2.842 5.391 1.182) 6.208 5.110 ( -0.374 1.659 -1.044) 1.996 5.222 ( 4.938 6.289 6.309) 10.185 5.847 ( -11.058 1.549 -1.590) 11.278 5.913 ( 5.664 1.234 -0.582) 5.826 6.135 ( -6.140 -5.913 4.568) 9.670 6.162 ( -4.599 -9.761 -3.353) 11.299 6.459 ( -9.181 -5.882 -3.493) 11.449 6.675 ( 1.506 3.544 2.225) 4.447 6.820 ( 1.699 -1.443 -3.291) 3.974 7.060 ( 7.811 4.690 5.016) 10.401 7.378 ( 5.699 7.957 3.530) 10.404 7.493 ( 7.980 12.023 -3.459) 14.839 7.787 ( -0.939 -1.556 2.481) 3.075 7.935 ( 3.540 -7.422 -1.239) 8.316 8.166 ( 0.110 -1.923 -2.842) 3.433 8.653 ( 3.340 18.963 0.096) 19.255 8.751 ( -3.377 2.315 7.149) 8.238 9.424 ( 3.711 2.074 -0.855) 4.336 9.478 ( 13.038 1.008 -3.518) 13.542 9.925 ( -2.034 -2.620 -7.368) 8.080 9.999 ( -15.517 11.100 11.035) 22.040 10.517 ( 11.600 -8.084 3.130) 14.481 10.766 ( -1.901 -2.791 -5.572) 6.515 11.367 ( -2.936 -2.528 -2.125) 4.419 11.623 ( -14.798 -0.786 -0.680) 14.834 12.805 ( 9.716 0.844 3.684) 10.426 12.905 ( 7.682 -5.505 -2.117) 9.685 13.067 ( -2.184 1.624 5.697) 6.314 13.197 ( 3.214 0.891 0.161) 3.339 15.455 ( 10.370 -7.493 -2.015) 12.952 15.713 ( 5.276 -0.181 -0.361) 5.291 15.881 ( 6.673 -2.361 0.176) 7.080 15.944 ( 8.500 1.122 -0.834) 8.615 16.219 ( 9.700 -2.166 -5.700) 11.457 16.500 ( -8.817 -13.274 -3.066) 16.228 16.789 ( -7.423 -1.460 0.120) 7.566 17.000 ( -7.504 3.448 0.543) 8.276 21.263 ( 7.686 1.677 -0.030) 7.866 21.365 ( 3.031 -1.703 1.732) 3.884 23.228 ( 2.697 -0.218 1.247) 2.979 23.430 ( -5.042 -0.661 4.310) 6.666 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.11 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 22.977 3.719 -6.864) 24.267 2.126 ( 12.011 1.513 0.512) 12.116 2.269 ( -15.382 -0.883 2.237) 15.569 2.330 ( -11.593 0.637 -0.529) 11.623 2.637 ( 0.314 0.813 -7.218) 7.271 2.696 ( -11.543 2.507 1.925) 11.968 2.938 ( 6.322 -1.515 -0.054) 6.501 3.012 ( 2.603 -1.156 5.552) 6.239 3.038 ( -7.724 -0.290 7.570) 10.819 3.117 ( -3.938 -3.656 1.923) 5.707 3.159 ( 2.867 0.730 -3.549) 4.620 3.307 ( -6.021 2.913 -10.672) 12.595 3.829 ( 5.896 -5.789 -0.014) 8.262 3.912 ( -4.211 -6.732 -0.236) 7.944 4.309 ( 14.514 -5.727 -2.877) 15.866 4.478 ( -8.042 -0.927 0.062) 8.096 4.580 ( 13.459 2.156 -1.714) 13.738 4.620 ( 6.024 4.218 1.531) 7.512 4.684 ( 5.181 6.234 0.851) 8.151 4.978 ( -14.582 -4.489 -1.816) 15.365 5.433 ( 8.748 7.406 10.265) 15.387 5.663 ( -7.110 5.365 -7.352) 11.549 5.980 ( 3.191 -4.457 -0.492) 5.503 6.052 ( -6.147 -3.263 1.242) 7.069 6.127 ( 2.108 -7.953 0.955) 8.283 6.256 ( -10.380 -4.787 -1.889) 11.586 6.714 ( 2.931 2.051 0.459) 3.607 6.776 ( -1.678 -1.793 -3.569) 4.332 7.326 ( 11.022 5.109 7.783) 14.428 7.458 ( -4.954 7.298 6.633) 11.036 7.573 ( 12.207 8.975 -6.643) 16.543 7.731 ( -7.932 5.358 -1.154) 9.641 7.997 ( 4.505 -11.481 1.715) 12.452 8.099 ( -3.476 -7.760 -4.056) 9.421 8.705 ( 3.657 14.571 -0.503) 15.031 8.752 ( -4.098 6.127 3.094) 7.994 9.466 ( 2.433 4.974 3.291) 6.441 9.556 ( 1.970 1.974 -6.640) 7.202 9.853 ( 4.428 1.967 -8.372) 9.673 9.878 ( -10.893 6.853 8.876) 15.633 10.710 ( 7.851 -6.179 1.325) 10.079 10.760 ( 1.160 -3.942 0.526) 4.143 11.318 ( 3.241 -1.671 -5.037) 6.218 11.404 ( -13.153 -0.809 2.856) 13.483 12.946 ( 6.261 -2.304 -1.604) 6.861 12.975 ( 0.279 -3.896 1.999) 4.387 13.111 ( 1.197 3.470 5.205) 6.369 13.192 ( -1.545 2.386 -3.016) 4.144 15.611 ( 10.687 -8.320 -1.006) 13.581 15.730 ( -3.868 -4.827 0.111) 6.187 15.983 ( 3.983 -2.115 2.465) 5.139 16.028 ( 2.952 0.516 -2.346) 3.806 16.296 ( 4.126 -12.549 -0.186) 13.212 16.369 ( -4.303 -12.339 -1.985) 13.218 16.739 ( 2.723 4.159 -0.220) 4.976 16.855 ( -9.630 6.002 -0.651) 11.366 21.359 ( 5.166 -0.901 -1.104) 5.359 21.397 ( -1.383 -2.311 1.582) 3.123 23.299 ( 4.856 0.266 0.402) 4.880 23.378 ( -5.672 0.014 1.741) 5.933 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -0.644 8.375 -15.200) 17.366 1.973 ( 0.644 8.375 15.200) 17.366 2.180 ( 4.194 6.644 -15.723) 17.577 2.180 ( -4.194 6.644 15.723) 17.577 2.807 ( -0.595 0.032 -4.915) 4.951 2.807 ( 0.595 0.032 4.915) 4.951 2.936 ( 1.596 -11.787 -6.699) 13.651 2.936 ( -1.596 -11.787 6.699) 13.651 3.401 ( -3.056 -8.607 -2.779) 9.547 3.401 ( 3.056 -8.607 2.779) 9.547 3.522 ( -1.282 -9.499 -4.607) 10.635 3.522 ( 1.282 -9.499 4.607) 10.635 3.989 ( 2.805 20.980 -21.191) 29.951 3.989 ( -2.805 20.980 21.191) 29.951 4.465 ( 0.582 11.900 -4.872) 12.872 4.465 ( -0.582 11.900 4.872) 12.872 4.650 ( -2.030 2.703 -0.898) 3.498 4.650 ( 2.030 2.703 0.898) 3.498 4.895 ( -6.611 -1.027 -8.968) 11.189 4.895 ( 6.611 -1.027 8.968) 11.189 5.443 ( -3.117 1.268 -5.771) 6.681 5.443 ( 3.117 1.268 5.771) 6.681 6.002 ( 1.214 11.326 -10.103) 15.226 6.002 ( -1.214 11.326 10.103) 15.226 6.375 ( -0.126 3.531 -7.897) 8.651 6.375 ( 0.126 3.531 7.897) 8.651 6.715 ( -3.708 2.437 -6.162) 7.593 6.715 ( 3.708 2.437 6.162) 7.593 7.231 ( -7.132 -3.465 -1.254) 8.028 7.231 ( 7.132 -3.465 1.254) 8.028 7.482 ( 0.787 9.367 -8.098) 12.407 7.482 ( -0.787 9.367 8.098) 12.407 8.231 ( -2.423 -6.072 -4.183) 7.761 8.231 ( 2.423 -6.072 4.183) 7.761 8.598 ( -2.184 12.424 -10.739) 16.567 8.598 ( 2.184 12.424 10.739) 16.567 9.082 ( 3.085 1.469 -6.091) 6.984 9.082 ( -3.085 1.469 6.091) 6.984 9.793 ( -3.535 6.095 -15.452) 16.983 9.793 ( 3.535 6.095 15.452) 16.983 11.156 ( 4.155 -6.998 -12.984) 15.324 11.156 ( -4.155 -6.998 12.984) 15.324 11.796 ( 1.869 -5.941 -8.892) 10.855 11.796 ( -1.869 -5.941 8.892) 10.855 12.310 ( 5.486 -2.978 -9.808) 11.626 12.310 ( -5.486 -2.978 9.808) 11.626 12.772 ( -1.866 3.817 -7.611) 8.716 12.772 ( 1.866 3.817 7.611) 8.716 15.541 ( -4.414 13.100 -2.311) 14.015 15.541 ( 4.414 13.100 2.311) 14.015 15.877 ( -2.855 5.627 -2.125) 6.658 15.877 ( 2.855 5.627 2.125) 6.658 16.410 ( 1.015 1.129 -21.147) 21.201 16.410 ( -1.015 1.129 21.147) 21.201 17.075 ( -1.328 -3.483 -2.297) 4.379 17.075 ( 1.328 -3.483 2.297) 4.379 20.906 ( -1.271 3.441 -4.582) 5.869 20.906 ( 1.271 3.441 4.582) 5.869 23.234 ( -0.145 -4.506 -4.980) 6.718 23.234 ( 0.145 -4.506 4.980) 6.718 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 7.060 12.997 -11.727) 18.876 2.027 ( 6.786 8.797 -16.200) 19.644 2.261 ( 3.300 7.541 13.647) 15.938 2.336 ( 3.201 0.390 15.641) 15.970 2.728 ( -5.316 -2.243 0.109) 5.771 2.829 ( -1.518 -2.452 0.297) 2.899 2.928 ( 0.287 -4.902 3.443) 5.997 2.956 ( -4.558 -10.156 4.638) 12.059 3.289 ( -4.914 -7.288 -5.729) 10.492 3.451 ( -0.808 -4.800 2.491) 5.468 3.453 ( 2.125 -10.497 -6.876) 12.727 3.586 ( 2.977 -6.873 -2.336) 7.846 3.829 ( 7.803 11.251 -16.984) 21.816 4.050 ( -8.861 14.470 1.840) 17.067 4.313 ( -9.587 10.075 -4.581) 14.643 4.340 ( -12.380 9.232 -0.571) 15.453 4.584 ( -4.554 6.286 -5.130) 9.304 4.743 ( 4.711 3.632 2.685) 6.527 4.832 ( 3.490 6.888 4.134) 8.758 5.040 ( 0.926 -1.660 2.991) 3.544 5.333 ( -2.627 4.825 -5.172) 7.546 5.550 ( 5.399 -0.472 1.965) 5.765 5.936 ( 1.849 7.872 -6.610) 10.444 6.134 ( 7.191 9.241 5.620) 12.989 6.319 ( -1.052 1.229 -0.074) 1.619 6.417 ( -2.338 -1.882 1.692) 3.445 6.692 ( 6.004 2.226 -3.399) 7.249 6.952 ( -4.868 -4.046 6.657) 9.186 6.991 ( 2.696 2.031 -0.724) 3.452 7.276 ( 3.086 6.240 -7.014) 9.883 7.510 ( 9.469 6.944 -3.912) 12.377 7.607 ( 2.142 12.276 7.742) 14.671 8.107 ( -3.648 -5.835 -5.982) 9.118 8.173 ( -4.164 -0.646 -8.953) 9.895 8.567 ( -0.376 0.899 5.991) 6.069 8.811 ( 3.739 15.375 15.094) 21.868 9.108 ( 7.702 1.004 -5.301) 9.404 9.186 ( 6.198 1.831 8.004) 10.287 9.541 ( -7.822 7.080 -11.190) 15.379 9.979 ( -1.274 5.777 15.348) 16.448 10.984 ( -5.796 -5.711 -16.512) 18.408 11.186 ( -6.951 -6.169 10.160) 13.769 11.625 ( -8.141 -7.239 -7.749) 13.369 11.822 ( -5.004 -7.173 7.717) 11.664 12.392 ( 13.500 -3.392 -6.030) 15.170 12.494 ( 13.312 -2.288 5.262) 14.496 12.663 ( -0.948 5.786 -6.270) 8.584 12.879 ( 1.617 1.721 6.832) 7.229 15.442 ( -4.891 10.765 -2.138) 12.016 15.634 ( 4.099 13.124 1.753) 13.861 15.779 ( -4.529 2.612 -2.160) 5.657 15.902 ( -0.715 5.684 -1.545) 5.934 16.243 ( 7.433 3.072 -20.806) 22.307 16.643 ( 2.809 -0.867 15.350) 15.629 16.978 ( -7.369 -4.919 -0.644) 8.883 17.072 ( -4.808 -3.866 1.942) 6.468 20.897 ( 5.033 3.394 -1.621) 6.283 21.027 ( 6.677 3.603 4.132) 8.639 23.181 ( -0.953 -3.979 -2.451) 4.770 23.298 ( -0.172 -4.341 6.114) 7.500 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 9.185 13.891 -10.051) 19.451 1.957 ( 8.003 12.997 -17.420) 23.161 2.400 ( -1.060 -0.099 10.751) 10.804 2.591 ( 5.628 -4.314 11.316) 13.355 2.658 ( -5.825 -0.582 4.500) 7.384 2.810 ( -1.588 -2.810 -1.473) 3.548 2.924 ( 0.210 -5.919 1.245) 6.052 2.992 ( -3.844 -0.568 12.421) 13.014 3.124 ( -8.051 -6.842 -6.327) 12.315 3.379 ( -2.832 -4.840 -4.361) 7.104 3.504 ( 8.575 -1.368 -4.525) 9.791 3.554 ( 0.221 -4.346 -8.143) 9.233 3.812 ( 4.072 4.080 -9.907) 11.462 3.877 ( -6.634 2.954 -1.341) 7.385 4.086 ( -11.297 5.837 -0.145) 12.716 4.196 ( -2.440 11.669 -9.410) 15.188 4.464 ( -3.357 4.685 -4.452) 7.282 4.770 ( 0.465 2.667 -0.887) 2.849 4.977 ( -0.165 11.547 3.393) 12.036 5.032 ( 0.584 -1.194 3.145) 3.414 5.256 ( 1.085 7.911 -5.130) 9.491 5.688 ( 9.221 0.269 2.627) 9.591 5.927 ( 0.579 2.718 1.751) 3.285 6.227 ( -4.992 -1.863 -2.079) 5.720 6.362 ( 1.776 -1.652 0.430) 2.463 6.366 ( 0.911 -3.290 -0.848) 3.518 6.565 ( -9.939 -8.325 -3.500) 13.429 6.937 ( 4.180 3.880 5.751) 8.099 7.162 ( -1.362 9.066 -3.555) 9.833 7.256 ( 10.100 3.184 -7.116) 12.759 7.663 ( 7.213 12.227 -1.466) 14.272 7.694 ( 7.217 15.094 4.120) 17.231 7.968 ( -5.727 -0.686 -4.650) 7.409 8.081 ( 2.467 -4.306 -3.388) 6.009 8.628 ( -1.571 -2.747 7.185) 7.851 8.973 ( 0.395 20.240 5.019) 20.856 9.185 ( 9.286 2.595 -4.905) 10.817 9.310 ( 3.132 6.096 0.091) 6.854 9.534 ( 9.123 -3.837 12.927) 16.280 10.093 ( -4.047 4.814 12.653) 14.130 10.661 ( -10.387 -3.532 -15.526) 19.011 11.145 ( -10.553 -3.560 2.642) 11.447 11.407 ( -7.433 -8.313 -4.038) 11.860 11.854 ( -3.685 -8.802 6.735) 11.679 12.529 ( 10.905 -1.870 -6.802) 12.988 12.582 ( 7.554 4.506 -6.376) 10.864 12.819 ( 12.777 -1.632 7.197) 14.755 12.972 ( 1.031 0.389 6.128) 6.226 15.346 ( -3.871 5.406 -2.196) 7.002 15.680 ( -1.856 6.965 2.049) 7.493 15.741 ( 4.042 3.168 -2.902) 5.898 15.851 ( 1.487 3.614 -6.225) 7.350 16.183 ( 10.038 4.682 -15.663) 19.183 16.675 ( -10.763 -8.991 -0.550) 14.035 16.952 ( -2.207 -2.539 4.005) 5.230 16.991 ( -5.637 -4.186 6.407) 9.505 21.012 ( 8.497 2.720 1.588) 9.062 21.176 ( 6.526 2.952 2.958) 7.749 23.155 ( -0.171 -2.686 -0.406) 2.722 23.359 ( -1.366 -3.697 6.880) 7.929 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 8.415 11.801 -14.771) 20.695 1.924 ( 10.577 10.998 -11.871) 19.333 2.470 ( -1.969 -5.061 3.380) 6.397 2.578 ( -6.664 -1.482 5.142) 8.547 2.755 ( -3.184 -1.623 2.679) 4.467 2.774 ( -2.818 -5.544 5.656) 8.407 2.910 ( -7.709 -3.002 0.246) 8.277 2.970 ( 0.068 -5.720 2.485) 6.237 3.083 ( -1.916 2.689 8.262) 8.897 3.279 ( -7.322 1.279 1.537) 7.591 3.429 ( -4.598 -2.910 -6.482) 8.464 3.622 ( 13.444 4.629 -7.806) 16.220 3.739 ( -4.728 0.678 -8.156) 9.451 3.811 ( 7.154 -0.753 -5.404) 8.997 3.972 ( -4.922 -3.851 0.131) 6.251 4.011 ( 2.149 2.601 -19.184) 19.478 4.484 ( 3.842 3.361 7.967) 9.462 4.778 ( -0.264 8.357 1.160) 8.442 4.877 ( -6.782 7.477 -2.135) 10.318 5.109 ( -0.083 -2.440 2.678) 3.624 5.290 ( 7.931 11.322 -2.971) 14.139 5.861 ( 6.553 2.418 2.845) 7.542 5.978 ( -0.969 -4.183 7.136) 8.328 6.069 ( -10.422 -0.776 -3.108) 10.903 6.112 ( -8.680 -13.260 -9.741) 18.602 6.455 ( -1.259 -4.576 2.093) 5.187 6.576 ( 5.432 -1.778 2.012) 6.060 6.966 ( -6.195 0.532 -4.727) 7.811 7.032 ( 0.182 7.359 -1.727) 7.561 7.384 ( 12.141 6.654 -4.353) 14.513 7.699 ( 0.773 13.304 1.186) 13.380 7.847 ( 0.538 9.580 0.824) 9.631 7.885 ( 1.132 3.082 0.273) 3.294 8.125 ( 6.021 -2.450 -3.015) 7.166 8.686 ( -0.394 0.346 7.220) 7.239 9.007 ( 3.678 19.932 -1.007) 20.293 9.286 ( 9.691 0.364 -4.256) 10.591 9.452 ( 8.540 9.528 5.616) 13.974 9.826 ( 6.373 -8.106 8.628) 13.445 10.133 ( -1.240 -1.839 6.314) 6.692 10.399 ( -7.339 4.933 -3.845) 9.643 10.894 ( -12.835 -4.316 -8.630) 16.057 11.337 ( -4.005 -6.587 2.907) 8.239 11.787 ( -9.819 -5.836 0.293) 11.426 12.638 ( 10.733 -0.058 -0.661) 10.753 12.701 ( 11.114 0.394 -3.475) 11.651 13.041 ( 1.675 0.511 4.760) 5.072 13.064 ( 7.664 -1.873 5.123) 9.407 15.288 ( 0.060 -1.251 -2.174) 2.509 15.667 ( -0.486 0.626 0.462) 0.918 15.778 ( 4.142 0.781 -3.079) 5.220 15.863 ( 7.357 2.026 -4.113) 8.669 16.188 ( 7.292 2.903 -10.249) 12.909 16.449 ( -12.905 -13.026 -2.879) 18.561 16.835 ( -8.319 -5.298 0.405) 9.872 17.071 ( -0.652 0.513 5.598) 5.659 21.162 ( 6.779 0.751 2.534) 7.276 21.281 ( 3.705 0.703 1.256) 3.974 23.170 ( 1.585 -1.005 1.128) 2.189 23.401 ( -2.649 -2.727 6.319) 7.375 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.271 8.434 -13.267) 20.573 1.994 ( 11.388 4.832 -6.292) 13.879 2.382 ( -6.824 -4.217 -2.840) 8.510 2.526 ( -11.818 0.034 4.934) 12.807 2.687 ( -2.581 -4.060 0.673) 4.858 2.774 ( -0.725 -1.192 6.165) 6.321 2.893 ( -2.385 -0.166 3.015) 3.848 3.016 ( -0.649 -6.065 3.760) 7.165 3.061 ( -5.944 4.941 -0.639) 7.756 3.163 ( -12.366 2.478 5.818) 13.890 3.261 ( -3.153 -1.194 -13.954) 14.355 3.512 ( -7.431 -0.715 -3.731) 8.345 3.729 ( 4.071 2.060 -6.095) 7.614 3.844 ( -2.237 -6.907 -2.869) 7.806 3.929 ( 12.926 -9.406 -6.678) 17.325 4.104 ( 21.708 -5.784 -4.031) 22.824 4.610 ( -5.486 0.783 6.920) 8.865 4.752 ( 0.765 11.745 -0.610) 11.786 4.834 ( 0.028 8.637 3.348) 9.263 5.057 ( -5.897 -4.965 -3.136) 8.322 5.419 ( 9.191 10.180 2.369) 13.918 5.860 ( -11.182 -0.936 4.001) 11.913 5.923 ( -0.630 -6.997 -11.042) 13.088 5.948 ( 2.664 -0.995 -0.434) 2.877 6.063 ( -3.446 -3.803 7.227) 8.864 6.385 ( -7.871 -0.765 -1.451) 8.040 6.649 ( 2.933 -5.931 -0.459) 6.632 6.835 ( -2.676 2.033 -3.756) 5.040 7.115 ( 9.413 1.717 3.340) 10.134 7.520 ( 6.566 6.392 2.086) 9.398 7.710 ( 0.801 7.377 -2.187) 7.736 7.828 ( -2.670 8.314 2.836) 9.181 7.910 ( 0.522 1.942 -0.431) 2.057 8.138 ( 1.104 -0.615 -7.188) 7.298 8.784 ( 2.908 4.591 6.243) 8.277 9.024 ( -1.123 17.054 -1.135) 17.129 9.406 ( 10.044 -2.012 -2.677) 10.587 9.637 ( 6.081 13.973 3.731) 15.689 9.838 ( 1.454 -5.010 -5.598) 7.652 10.271 ( -13.234 14.734 4.728) 20.362 10.329 ( 12.066 -10.108 6.847) 17.165 10.673 ( -3.316 -6.946 -4.705) 9.022 11.296 ( -2.777 -4.950 -0.339) 5.686 11.590 ( -12.753 -3.084 -1.968) 13.267 12.808 ( 9.008 -3.564 0.135) 9.688 12.833 ( 8.081 1.801 0.126) 8.281 13.099 ( 0.204 1.413 4.768) 4.977 13.199 ( 3.889 -0.819 1.669) 4.311 15.310 ( 5.472 -6.976 -1.612) 9.012 15.683 ( 1.409 -2.750 -1.002) 3.248 15.795 ( -0.133 -7.698 0.775) 7.738 15.961 ( 7.299 0.645 -0.373) 7.337 16.136 ( -0.490 -5.716 -8.701) 10.422 16.259 ( -8.011 -11.759 -1.346) 14.292 16.762 ( 0.262 0.678 -0.459) 0.859 17.064 ( -5.100 2.650 1.597) 5.965 21.267 ( 3.638 -1.834 1.461) 4.328 21.325 ( 1.195 -2.412 0.187) 2.699 23.227 ( 3.572 0.252 1.516) 3.888 23.410 ( -3.888 -1.521 4.416) 6.077 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.22 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 16.098 1.787 -5.511) 17.109 2.139 ( 12.365 0.724 -1.710) 12.504 2.231 ( -9.264 -3.174 -0.963) 9.840 2.358 ( -15.969 1.674 3.463) 16.426 2.652 ( 2.957 0.851 -3.311) 4.520 2.766 ( -10.161 4.721 -0.781) 11.232 2.907 ( 2.165 -1.069 1.401) 2.791 2.976 ( -5.622 -3.944 0.864) 6.922 3.000 ( 5.769 -1.934 -0.261) 6.090 3.084 ( -7.528 0.542 6.189) 9.761 3.178 ( 4.403 0.723 -0.949) 4.561 3.336 ( -7.359 -0.524 -8.317) 11.117 3.737 ( 1.618 -3.484 0.307) 3.853 3.779 ( -2.654 -6.609 -1.119) 7.209 4.125 ( 17.037 -13.653 -2.578) 21.984 4.336 ( -3.717 -13.429 -0.301) 13.937 4.565 ( 10.443 -1.188 0.231) 10.513 4.787 ( -6.624 6.580 3.350) 9.919 4.847 ( -2.046 5.381 1.997) 6.093 4.906 ( -3.712 6.597 -4.526) 8.819 5.636 ( 10.106 11.096 7.195) 16.644 5.775 ( -1.116 3.661 -2.759) 4.718 5.825 ( 0.175 -6.229 -3.897) 7.349 5.933 ( -9.928 -6.908 0.891) 12.128 6.083 ( 2.952 1.400 4.390) 5.472 6.221 ( -6.918 0.755 -4.897) 8.509 6.697 ( 0.653 -3.783 4.664) 6.041 6.765 ( -0.203 0.088 -5.932) 5.936 7.365 ( 14.176 -2.939 4.426) 15.139 7.573 ( -9.659 1.519 4.618) 10.813 7.720 ( 7.525 5.696 -1.477) 9.552 7.818 ( -2.462 6.473 0.095) 6.926 7.914 ( 2.059 2.087 -0.891) 3.064 8.006 ( -5.584 -0.296 -6.760) 8.773 8.893 ( 3.761 8.457 3.238) 9.806 8.970 ( -3.183 12.241 -1.356) 12.720 9.528 ( 6.222 2.014 1.988) 6.836 9.643 ( -4.181 6.460 -2.403) 8.061 9.916 ( 12.269 6.854 -3.591) 14.506 10.083 ( -12.968 12.708 1.826) 18.248 10.560 ( 8.785 -9.191 2.794) 13.018 10.644 ( -1.955 -8.019 1.628) 8.413 11.273 ( 3.600 -3.067 -2.847) 5.520 11.379 ( -11.518 -2.020 0.189) 11.695 12.906 ( 5.672 -2.023 -2.563) 6.545 12.924 ( 0.170 -0.942 2.818) 2.977 13.166 ( 2.139 2.104 3.854) 4.884 13.224 ( -0.654 0.806 -1.394) 1.738 15.424 ( 10.368 -10.399 -0.729) 14.703 15.596 ( -10.694 -8.993 0.077) 13.973 15.867 ( 6.998 -12.075 2.252) 14.137 16.014 ( -4.162 -6.848 -5.685) 9.825 16.068 ( 3.094 -4.887 2.434) 6.275 16.144 ( -4.083 -8.380 -1.891) 9.512 16.829 ( 7.722 5.321 -0.330) 9.383 16.962 ( -8.359 4.829 0.040) 9.654 21.315 ( 1.639 -3.958 0.268) 4.293 21.331 ( -0.396 -4.401 0.070) 4.420 23.306 ( 4.754 0.461 0.424) 4.795 23.375 ( -4.756 -0.301 1.835) 5.107 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.262 6.101 -9.364) 11.248 2.116 ( -1.262 6.101 9.364) 11.248 2.261 ( 5.184 1.398 -8.937) 10.426 2.261 ( -5.184 1.398 8.937) 10.426 2.736 ( -1.008 -7.190 -2.964) 7.842 2.736 ( 1.008 -7.190 2.964) 7.842 2.773 ( -2.223 -3.602 -4.470) 6.156 2.773 ( 2.223 -3.602 4.470) 6.156 3.268 ( -2.957 -4.798 -2.824) 6.304 3.268 ( 2.957 -4.798 2.824) 6.304 3.348 ( 3.765 -8.145 -2.608) 9.345 3.348 ( -3.765 -8.145 2.608) 9.345 4.403 ( -0.137 19.038 -8.175) 20.719 4.403 ( 0.137 19.038 8.175) 20.719 4.653 ( -6.057 6.509 -2.098) 9.135 4.653 ( 6.057 6.509 2.098) 9.135 4.758 ( -13.753 8.932 -9.854) 19.132 4.758 ( 13.753 8.932 9.854) 19.132 4.892 ( -2.852 1.655 -7.437) 8.136 4.892 ( 2.852 1.655 7.437) 8.136 5.474 ( -1.367 1.637 -3.328) 3.953 5.474 ( 1.367 1.637 3.328) 3.953 6.153 ( 0.685 3.659 -10.228) 10.885 6.153 ( -0.685 3.659 10.228) 10.885 6.462 ( -0.391 6.102 -3.079) 6.846 6.462 ( 0.391 6.102 3.079) 6.846 6.766 ( -5.808 2.305 -3.599) 7.211 6.766 ( 5.808 2.305 3.599) 7.211 7.152 ( -15.233 -4.262 0.623) 15.831 7.152 ( 15.233 -4.262 -0.623) 15.831 7.579 ( 2.702 1.694 -9.562) 10.080 7.579 ( -2.702 1.694 9.562) 10.080 8.075 ( -0.862 -8.934 -3.783) 9.740 8.075 ( 0.862 -8.934 3.783) 9.740 8.844 ( 0.488 8.742 -13.463) 16.060 8.844 ( -0.488 8.742 13.463) 16.060 9.162 ( -0.856 9.132 -4.656) 10.286 9.162 ( 0.856 9.132 4.656) 10.286 9.925 ( -2.981 7.215 -11.948) 14.272 9.925 ( 2.981 7.215 11.948) 14.272 11.010 ( 3.862 -8.008 -12.224) 15.115 11.010 ( -3.862 -8.008 12.224) 15.115 11.681 ( 0.307 -5.763 -6.272) 8.523 11.681 ( -0.307 -5.763 6.272) 8.523 12.253 ( 3.238 -2.753 -7.733) 8.825 12.253 ( -3.238 -2.753 7.733) 8.825 12.841 ( -1.165 3.164 -4.607) 5.709 12.841 ( 1.165 3.164 4.607) 5.709 15.755 ( -4.375 8.866 -2.117) 10.111 15.755 ( 4.375 8.866 2.117) 10.111 16.001 ( -2.770 7.142 -2.409) 8.030 16.001 ( 2.770 7.142 2.409) 8.030 16.424 ( 1.620 0.095 -17.048) 17.125 16.424 ( -1.620 0.095 17.048) 17.125 17.000 ( -1.689 -4.138 -1.967) 4.883 17.000 ( 1.689 -4.138 1.967) 4.883 21.009 ( -1.298 6.722 -3.371) 7.631 21.009 ( 1.298 6.722 3.371) 7.631 23.138 ( -0.066 -5.264 -4.066) 6.652 23.138 ( 0.066 -5.264 4.066) 6.652 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 6.576 9.894 -4.843) 12.830 2.150 ( 3.893 4.886 -6.730) 9.183 2.317 ( -1.268 -0.894 8.462) 8.603 2.376 ( 7.627 2.243 7.894) 11.204 2.683 ( -4.243 -1.882 2.940) 5.494 2.713 ( -2.502 -7.558 1.437) 8.090 2.771 ( -1.014 -7.112 2.229) 7.522 2.865 ( -0.290 -3.520 8.184) 8.913 3.155 ( -4.774 -5.611 -6.079) 9.551 3.298 ( 3.364 -5.350 -5.090) 8.115 3.324 ( -3.686 -7.919 3.967) 9.594 3.410 ( 3.433 -7.819 2.104) 8.794 4.216 ( -0.750 21.455 -19.433) 28.957 4.318 ( -14.373 12.609 -5.016) 19.767 4.458 ( -11.530 6.510 -5.669) 14.403 4.526 ( -1.720 8.288 -5.095) 9.880 4.703 ( -3.770 5.938 -0.706) 7.069 4.795 ( 0.414 3.763 -2.087) 4.323 4.967 ( 1.023 3.345 5.192) 6.261 5.091 ( 8.490 8.261 8.280) 14.452 5.428 ( -0.687 4.810 -2.034) 5.267 5.537 ( 1.765 -0.868 3.018) 3.602 6.054 ( 2.967 3.664 -12.464) 13.326 6.240 ( 2.112 -0.942 0.565) 2.381 6.333 ( -8.937 1.020 0.832) 9.033 6.445 ( -4.003 7.701 0.910) 8.727 6.667 ( -8.255 -4.889 -2.201) 9.843 6.878 ( -7.835 -2.860 9.163) 12.390 7.102 ( 16.871 7.566 -0.242) 18.491 7.346 ( 10.842 1.789 -4.079) 11.722 7.589 ( 9.331 0.820 -5.329) 10.777 7.703 ( 3.145 1.193 10.741) 11.256 7.985 ( -3.488 -6.534 -3.886) 8.364 8.082 ( -2.148 -8.411 -0.695) 8.709 8.746 ( 1.134 14.224 -6.437) 15.654 9.025 ( 2.540 2.849 16.305) 16.746 9.158 ( 6.159 6.334 -3.835) 9.632 9.278 ( 6.551 8.998 3.958) 11.813 9.720 ( -6.005 11.326 -11.184) 17.013 10.068 ( -0.616 2.916 10.138) 10.567 10.886 ( -1.914 -3.956 -14.464) 15.117 11.063 ( -5.938 -6.689 12.162) 15.097 11.493 ( -11.624 -6.087 -4.962) 14.028 11.659 ( -7.537 -9.489 5.058) 13.131 12.345 ( 13.478 -1.329 -4.029) 14.130 12.441 ( 13.310 -3.088 5.950) 14.902 12.771 ( -0.446 5.334 -4.833) 7.212 12.905 ( 1.357 0.784 3.656) 3.978 15.640 ( -6.889 9.497 -2.975) 12.104 15.804 ( 0.893 3.495 -3.363) 4.932 15.884 ( -4.980 9.076 -1.121) 10.413 16.014 ( -2.395 5.622 -1.857) 6.387 16.315 ( 6.497 4.361 -14.290) 16.291 16.594 ( 0.019 -4.508 10.400) 11.335 16.898 ( -7.798 -3.199 1.640) 8.586 16.981 ( -6.661 -5.310 2.074) 8.767 20.997 ( 2.826 6.699 -0.061) 7.271 21.112 ( 5.618 4.644 3.142) 7.937 23.105 ( -0.100 -3.652 -1.018) 3.792 23.201 ( 0.824 -5.608 5.364) 7.803 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 5.023 8.447 -9.764) 13.853 2.190 ( 7.075 11.175 -6.073) 14.554 2.372 ( -1.434 -1.887 4.752) 5.310 2.522 ( 1.485 -1.097 5.716) 6.007 2.651 ( -5.942 -2.571 4.800) 8.060 2.741 ( -2.307 -3.389 0.756) 4.168 2.799 ( 2.940 -6.245 7.395) 10.116 2.942 ( -2.778 -4.404 10.021) 11.293 2.999 ( -6.703 -5.497 -2.710) 9.082 3.302 ( 2.064 -1.942 -1.431) 3.175 3.312 ( 0.980 -12.479 -2.440) 12.753 3.493 ( 1.835 -5.672 5.597) 8.177 3.990 ( -4.375 12.023 -14.703) 19.490 4.068 ( -4.751 13.049 -8.346) 16.202 4.214 ( -12.638 7.964 -4.421) 15.579 4.368 ( -4.289 5.954 -17.699) 19.160 4.606 ( -6.257 9.622 1.887) 11.632 4.830 ( 3.093 1.122 2.449) 4.102 5.002 ( -1.759 1.622 2.689) 3.599 5.190 ( -1.698 9.887 -1.072) 10.089 5.429 ( 4.189 8.681 -1.476) 9.751 5.627 ( 4.869 -5.851 5.332) 9.293 5.993 ( 4.540 1.468 -8.637) 9.867 6.117 ( -8.392 -7.933 -8.449) 14.309 6.225 ( -10.837 -4.422 0.747) 11.728 6.416 ( -10.435 -4.046 0.960) 11.233 6.513 ( 4.590 7.137 2.708) 8.907 6.928 ( -3.320 -3.817 7.414) 8.976 7.336 ( 5.065 9.164 0.862) 10.506 7.377 ( 8.296 8.457 -10.041) 15.529 7.756 ( 13.727 -1.700 -1.754) 13.942 7.875 ( 6.786 3.903 4.036) 8.808 7.916 ( -0.913 -3.100 -0.788) 3.326 8.043 ( -0.113 -2.802 0.091) 2.805 8.734 ( 1.250 13.933 0.487) 13.997 9.213 ( 8.002 0.846 -3.195) 8.658 9.291 ( 4.171 8.225 14.020) 16.781 9.425 ( 8.454 3.877 0.933) 9.347 9.553 ( 0.017 10.072 -5.117) 11.297 10.115 ( -4.902 -2.019 5.340) 7.525 10.661 ( -6.690 3.499 -9.623) 12.232 11.093 ( -7.801 -1.485 7.710) 11.068 11.235 ( -11.406 -9.259 -3.582) 15.121 11.650 ( -2.596 -12.459 5.396) 13.823 12.510 ( 11.996 0.815 -3.830) 12.619 12.662 ( 9.293 1.528 -4.297) 10.352 12.802 ( 7.939 1.148 5.764) 9.877 12.969 ( 1.797 -0.890 3.505) 4.038 15.472 ( -10.042 7.698 -2.287) 12.858 15.731 ( -3.824 0.956 -1.600) 4.254 15.848 ( 1.543 5.050 -4.575) 6.987 15.923 ( -0.926 3.625 -6.955) 7.897 16.289 ( 4.301 5.404 -8.317) 10.810 16.494 ( -14.952 -9.154 -2.518) 17.711 16.861 ( -8.488 -4.997 1.282) 9.932 16.943 ( 1.802 -2.310 9.405) 9.851 21.078 ( 4.955 4.208 2.106) 6.833 21.223 ( 4.030 1.568 2.265) 4.882 23.114 ( 1.284 -1.282 1.063) 2.103 23.275 ( 0.090 -4.973 6.414) 8.116 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 4.587 7.946 -10.181) 13.705 2.173 ( 4.217 12.951 -11.055) 17.542 2.386 ( -1.655 -3.098 1.228) 3.722 2.548 ( -5.648 -1.357 6.014) 8.361 2.644 ( -2.885 -6.924 2.733) 7.984 2.706 ( -2.647 -4.231 1.447) 5.196 2.851 ( -2.755 -2.207 -0.371) 3.550 2.884 ( 0.552 -2.462 3.650) 4.437 3.081 ( 0.882 -3.469 8.542) 9.261 3.285 ( -1.852 -8.907 -1.083) 9.162 3.315 ( -1.340 -0.083 0.507) 1.435 3.568 ( -2.468 -7.458 5.609) 9.653 3.791 ( -5.402 5.450 -6.027) 9.757 3.964 ( 5.067 8.875 -13.193) 16.689 3.969 ( -13.677 4.454 -1.779) 14.493 4.043 ( -4.707 3.707 -21.918) 22.722 4.591 ( -1.961 5.407 6.504) 8.682 4.903 ( -1.862 -8.404 1.682) 8.770 4.993 ( -1.024 11.448 4.992) 12.531 5.098 ( -2.755 8.800 -4.924) 10.453 5.489 ( 6.566 7.070 -4.725) 10.743 5.773 ( 2.670 -9.016 6.986) 11.714 5.879 ( -5.043 -8.756 -9.148) 13.630 5.990 ( 4.846 0.557 -7.821) 9.218 6.075 ( -11.382 2.442 7.380) 13.783 6.353 ( -0.848 -5.261 3.105) 6.167 6.594 ( 2.074 2.990 -1.801) 4.060 6.896 ( -4.702 -5.392 -0.163) 7.156 7.235 ( -4.275 11.682 -4.212) 13.134 7.512 ( 8.786 6.715 -0.904) 11.096 7.821 ( -1.037 -0.506 -2.735) 2.968 7.931 ( 0.301 -2.500 3.616) 4.407 7.981 ( 2.055 6.773 0.378) 7.088 8.130 ( 11.074 2.883 -4.868) 12.436 8.793 ( 2.787 10.807 4.629) 12.082 9.279 ( 5.964 -0.749 -4.203) 7.335 9.380 ( 0.511 18.072 -1.388) 18.132 9.587 ( 12.493 0.361 -0.545) 12.510 9.712 ( 9.743 -2.818 12.442) 16.052 10.054 ( -3.280 -0.837 -0.634) 3.444 10.533 ( -4.117 4.444 1.225) 6.181 10.856 ( -15.655 2.308 -6.005) 16.925 11.190 ( -3.152 -8.249 5.435) 10.370 11.628 ( -5.810 -10.720 1.097) 12.243 12.640 ( 10.229 2.095 -2.521) 10.741 12.760 ( 9.005 3.425 -1.980) 9.835 13.017 ( 7.674 -2.742 6.069) 10.160 13.040 ( 2.694 -0.741 3.463) 4.450 15.305 ( -7.481 3.197 -1.772) 8.326 15.648 ( -5.951 -2.522 0.649) 6.496 15.795 ( -2.346 0.863 -4.419) 5.077 15.897 ( 6.120 1.214 -5.574) 8.367 16.207 ( -4.968 -2.010 -8.207) 9.802 16.221 ( -12.191 -9.987 -2.329) 15.931 16.785 ( -1.139 1.267 0.620) 1.813 17.059 ( 1.135 -2.084 5.421) 5.917 21.169 ( 2.832 0.426 2.359) 3.711 21.276 ( 0.613 -1.422 0.628) 1.671 23.165 ( 2.692 0.658 2.273) 3.584 23.338 ( -0.952 -3.804 6.062) 7.220 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 2.748 4.756 -7.519) 9.312 2.135 ( 7.681 9.001 -11.167) 16.270 2.304 ( -6.263 -4.247 -4.460) 8.784 2.511 ( -8.551 -2.034 2.177) 9.055 2.593 ( -0.074 -4.044 1.845) 4.445 2.740 ( 3.729 -2.983 5.152) 7.025 2.890 ( -0.179 0.466 4.663) 4.690 2.915 ( -0.663 -2.451 2.098) 3.293 3.133 ( 1.362 -0.890 -0.982) 1.900 3.198 ( -6.802 -0.879 -3.652) 7.770 3.240 ( -8.932 2.052 -1.035) 9.223 3.460 ( -9.860 -4.638 -2.504) 11.181 3.723 ( 0.156 -3.874 -2.670) 4.708 3.748 ( -6.077 -0.986 -2.789) 6.759 3.817 ( -1.795 -2.453 -6.497) 7.173 4.015 ( 11.069 -2.745 -6.945) 13.352 4.566 ( -12.183 -6.123 4.703) 14.423 4.833 ( -4.712 -8.724 -0.004) 9.915 5.034 ( 1.055 15.456 0.898) 15.518 5.098 ( 3.864 12.342 2.388) 13.152 5.542 ( 7.776 0.877 -3.502) 8.573 5.783 ( 2.846 -2.357 -5.047) 6.255 5.835 ( -3.849 -3.945 4.981) 7.429 5.964 ( 4.068 0.040 -9.703) 10.521 6.052 ( -6.454 3.313 12.888) 14.789 6.425 ( 0.838 2.256 4.436) 5.047 6.522 ( -1.745 -4.816 -6.606) 8.359 6.821 ( -1.942 -3.608 -3.475) 5.372 7.185 ( 1.457 5.963 0.019) 6.138 7.613 ( -2.062 0.909 5.430) 5.879 7.751 ( 0.490 0.319 -3.996) 4.039 7.963 ( -1.060 1.423 3.594) 4.008 7.994 ( 1.123 8.286 -1.644) 8.522 8.160 ( 3.184 2.882 -10.528) 11.370 8.915 ( 5.482 8.203 4.394) 10.800 9.218 ( -5.262 0.041 -3.201) 6.159 9.472 ( 11.261 12.409 -1.529) 16.826 9.769 ( 8.468 -0.753 -0.868) 8.545 9.942 ( 3.907 14.715 7.654) 17.040 10.114 ( 11.395 -9.295 2.176) 14.866 10.505 ( -3.850 -6.612 1.951) 7.896 10.569 ( -13.783 10.356 -1.320) 17.291 11.188 ( -1.324 -5.654 1.308) 5.952 11.496 ( -9.152 -6.901 -2.317) 11.694 12.782 ( 8.519 0.966 0.140) 8.575 12.873 ( 6.104 1.876 -0.461) 6.402 13.113 ( 2.279 0.068 3.857) 4.480 13.168 ( 4.327 -2.208 2.996) 5.707 15.218 ( -1.274 -2.252 -1.016) 2.780 15.578 ( -4.738 -11.199 0.151) 12.161 15.649 ( -9.885 -2.823 -1.149) 10.345 15.933 ( -3.215 -6.622 0.649) 7.390 16.043 ( -1.877 -3.187 -5.935) 6.994 16.088 ( 1.583 -3.946 -5.307) 6.800 16.829 ( 5.372 5.726 -0.003) 7.851 17.087 ( -2.583 -0.382 1.937) 3.251 21.212 ( 0.125 -3.056 1.634) 3.468 21.267 ( -1.169 -3.755 -0.755) 4.004 23.241 ( 3.603 1.302 2.159) 4.398 23.373 ( -2.085 -2.340 4.319) 5.337 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.33 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 4.297 -2.188 -1.596) 5.079 2.128 ( -2.978 -4.310 -7.136) 8.852 2.202 ( 6.271 1.731 -1.062) 6.591 2.355 ( -10.952 -2.601 -0.611) 11.273 2.692 ( 8.404 4.010 2.518) 9.646 2.857 ( -4.751 4.186 2.501) 6.808 2.897 ( 0.035 -1.452 1.045) 1.789 2.917 ( -1.504 0.207 1.097) 1.873 2.991 ( 0.750 0.803 -6.498) 6.590 3.100 ( -7.327 0.502 1.710) 7.541 3.183 ( 1.695 0.257 1.797) 2.483 3.289 ( -6.809 -3.892 -4.720) 9.154 3.671 ( -0.486 -3.496 0.506) 3.565 3.705 ( -2.844 -0.882 -1.086) 3.170 3.850 ( 11.413 -13.511 -1.636) 17.762 4.034 ( -7.735 -16.753 -0.995) 18.479 4.493 ( 6.207 -5.985 -0.088) 8.623 4.684 ( -13.205 -9.492 -0.610) 16.274 5.113 ( 3.530 17.182 3.322) 17.853 5.157 ( 1.006 15.869 -0.147) 15.902 5.675 ( 10.325 -3.363 -1.905) 11.025 5.756 ( -3.082 -1.908 0.783) 3.709 5.860 ( -0.976 3.134 4.794) 5.810 5.905 ( 2.019 -0.453 -8.026) 8.288 6.121 ( -3.703 3.824 14.302) 15.260 6.280 ( -3.869 4.954 -13.572) 14.957 6.608 ( 3.668 -4.688 8.249) 10.173 6.739 ( -2.255 -3.083 -6.304) 7.371 7.283 ( 9.005 -3.420 2.200) 9.881 7.483 ( -12.481 -8.067 -1.218) 14.911 7.847 ( 6.595 7.145 5.277) 11.063 7.976 ( -3.230 7.484 2.180) 8.437 7.989 ( 3.521 4.396 -4.655) 7.307 8.040 ( -3.658 2.879 -6.949) 8.364 9.035 ( 5.144 5.459 1.635) 7.677 9.119 ( -4.400 2.802 -1.016) 5.315 9.633 ( 8.762 10.182 1.377) 13.503 9.766 ( -4.896 7.521 -1.933) 9.180 10.121 ( 10.369 13.225 3.185) 17.104 10.276 ( 1.414 2.069 -4.341) 5.012 10.395 ( 0.653 -5.859 0.482) 5.914 10.478 ( -8.108 -7.124 5.574) 12.148 11.208 ( 3.960 -3.406 -0.014) 5.223 11.323 ( -8.775 -3.931 -1.978) 9.816 12.889 ( 4.420 0.288 0.359) 4.444 12.923 ( 0.545 0.468 -0.144) 0.733 13.188 ( 2.379 0.351 2.377) 3.381 13.221 ( 0.203 -0.963 0.238) 1.013 15.249 ( 6.128 -7.317 -0.124) 9.545 15.400 ( -12.352 -11.124 -0.281) 16.625 15.637 ( 5.679 -9.313 -0.416) 10.916 15.773 ( -11.410 -13.042 0.165) 17.330 16.065 ( 3.148 0.836 -0.287) 3.270 16.087 ( 2.239 -0.442 -2.986) 3.758 16.929 ( 6.849 4.991 -0.012) 8.474 17.030 ( -5.704 2.322 0.273) 6.164 21.222 ( -0.463 -5.076 1.373) 5.279 21.238 ( -0.630 -5.168 -1.356) 5.380 23.317 ( 3.711 0.655 0.656) 3.825 23.365 ( -3.104 -0.743 1.779) 3.654 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.693 -0.086 -6.225) 6.264 2.173 ( -0.693 -0.086 6.225) 6.264 2.262 ( 1.852 0.280 -4.755) 5.110 2.262 ( -1.852 0.280 4.755) 5.110 2.675 ( 1.521 0.423 -4.326) 4.605 2.675 ( -1.521 0.423 4.326) 4.605 2.715 ( 1.105 -2.661 -3.570) 4.587 2.715 ( -1.105 -2.661 3.570) 4.587 3.212 ( -0.699 -1.250 -6.581) 6.735 3.212 ( 0.699 -1.250 6.581) 6.735 3.234 ( 2.723 -3.467 -6.476) 7.834 3.234 ( -2.723 -3.467 6.476) 7.834 4.612 ( -1.920 4.131 -3.189) 5.560 4.612 ( 1.920 4.131 3.189) 5.560 4.739 ( -3.408 1.497 -1.284) 3.938 4.739 ( 3.408 1.497 1.284) 3.938 4.880 ( -4.659 4.322 -7.653) 9.948 4.880 ( 4.659 4.322 7.653) 9.948 5.001 ( -0.040 6.235 -3.138) 6.981 5.001 ( 0.040 6.235 3.138) 6.981 5.494 ( -0.285 0.455 -1.075) 1.202 5.494 ( 0.285 0.455 1.075) 1.202 6.161 ( 0.327 -1.094 -4.569) 4.709 6.161 ( -0.327 -1.094 4.569) 4.709 6.587 ( -5.095 5.472 0.041) 7.477 6.587 ( 5.095 5.472 -0.041) 7.477 6.779 ( -9.356 -0.940 -0.100) 9.404 6.779 ( 9.356 -0.940 0.100) 9.404 7.090 ( -9.027 -1.783 0.625) 9.222 7.090 ( 9.027 -1.783 -0.625) 9.222 7.585 ( 1.196 -0.254 -4.138) 4.315 7.585 ( -1.196 -0.254 4.138) 4.315 7.941 ( -0.122 -4.143 -1.418) 4.380 7.941 ( 0.122 -4.143 1.418) 4.380 8.909 ( 0.892 0.568 -4.264) 4.393 8.909 ( -0.892 0.568 4.264) 4.393 9.361 ( -0.583 7.510 -3.757) 8.417 9.361 ( 0.583 7.510 3.757) 8.417 10.036 ( -1.159 3.613 -4.634) 5.989 10.036 ( 1.159 3.613 4.634) 5.989 10.881 ( 1.653 -4.422 -5.724) 7.420 10.881 ( -1.653 -4.422 5.724) 7.420 11.598 ( 0.018 -2.530 -2.325) 3.436 11.598 ( -0.018 -2.530 2.325) 3.436 12.215 ( 1.068 -1.075 -3.030) 3.387 12.215 ( -1.068 -1.075 3.030) 3.387 12.883 ( -0.394 1.195 -1.552) 1.998 12.883 ( 0.394 1.195 1.552) 1.998 15.866 ( -1.490 2.811 -0.959) 3.323 15.866 ( 1.490 2.811 0.959) 3.323 16.125 ( 0.614 4.663 -1.284) 4.876 16.125 ( -0.614 4.663 1.284) 4.876 16.409 ( 1.324 -1.265 -7.416) 7.639 16.409 ( -1.324 -1.265 7.416) 7.639 16.936 ( -0.753 -1.999 -0.766) 2.269 16.936 ( 0.753 -1.999 0.766) 2.269 21.119 ( -0.643 3.661 -1.216) 3.911 21.119 ( 0.643 3.661 1.216) 3.911 23.057 ( -0.021 -2.578 -1.656) 3.064 23.057 ( 0.021 -2.578 1.656) 3.064 ======================= Grid point 347 (166/170) ======================= q-point: ( 0.09 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 4.424 3.590 2.045) 6.054 2.251 ( 3.634 4.388 -3.237) 6.553 2.282 ( 0.623 -2.796 5.204) 5.940 2.340 ( 5.302 -5.216 9.284) 11.896 2.648 ( -0.890 3.477 -1.776) 4.005 2.681 ( -2.169 0.358 2.856) 3.604 2.698 ( -3.285 -1.337 5.617) 6.643 2.781 ( 1.268 -6.193 4.843) 7.963 3.099 ( -2.800 0.716 -8.789) 9.252 3.174 ( -0.552 -6.314 -7.079) 9.501 3.262 ( 0.081 0.331 3.597) 3.613 3.303 ( 1.716 -3.877 5.651) 7.065 4.449 ( -7.274 4.952 -11.616) 14.572 4.471 ( -13.112 2.555 -11.648) 17.724 4.603 ( -6.077 4.530 -6.163) 9.769 4.639 ( -5.397 2.807 0.092) 6.084 4.805 ( -3.099 7.783 -1.592) 8.527 4.883 ( -4.404 2.298 -0.719) 5.019 5.058 ( 4.337 7.015 2.009) 8.489 5.172 ( 9.503 -2.133 3.375) 10.307 5.498 ( 0.487 2.443 -0.194) 2.498 5.527 ( 0.512 -0.439 1.818) 1.939 6.087 ( -0.141 1.848 -10.042) 10.211 6.162 ( -1.042 -5.308 -4.908) 7.304 6.399 ( -14.819 5.995 0.729) 16.002 6.535 ( -16.659 -7.409 0.902) 18.255 6.641 ( -1.831 9.951 3.394) 10.672 6.800 ( -4.964 -6.153 8.224) 11.408 7.244 ( 20.590 6.812 -2.261) 21.805 7.341 ( 20.410 -2.852 -2.268) 20.733 7.600 ( 0.991 2.515 1.046) 2.898 7.681 ( 3.531 -4.111 7.493) 9.247 7.900 ( 0.037 -1.156 -2.868) 3.092 7.943 ( 1.270 -5.189 -1.884) 5.665 8.937 ( 4.695 5.600 0.292) 7.314 9.008 ( 4.491 -2.650 7.910) 9.474 9.323 ( 2.918 9.448 -6.184) 11.663 9.413 ( 3.077 1.743 -0.298) 3.549 9.934 ( -4.022 10.104 -5.241) 12.072 10.067 ( -2.378 -3.469 2.514) 4.900 10.861 ( 2.377 1.611 -5.537) 6.238 10.939 ( -0.971 -6.002 7.344) 9.534 11.425 ( -14.895 -0.320 -0.632) 14.912 11.493 ( -12.273 -7.080 2.641) 14.413 12.344 ( 13.559 1.183 -0.029) 13.610 12.384 ( 13.426 -2.771 3.925) 14.259 12.856 ( 0.199 3.543 -2.437) 4.305 12.902 ( 0.832 -1.241 0.472) 1.567 15.782 ( -4.352 5.155 -4.839) 8.302 15.833 ( -2.038 -0.382 -5.239) 5.634 16.036 ( -5.954 6.217 -2.588) 8.989 16.088 ( -4.445 1.208 -2.868) 5.425 16.397 ( 3.242 4.173 -3.579) 6.382 16.488 ( -0.719 -5.761 4.422) 7.298 16.863 ( -7.052 -0.355 2.679) 7.552 16.892 ( -7.471 -3.473 2.248) 8.540 21.120 ( 1.291 5.325 0.844) 5.544 21.169 ( 2.716 0.553 1.791) 3.301 23.064 ( 1.235 -0.205 1.289) 1.797 23.103 ( 1.665 -4.140 3.702) 5.798 ======================= Grid point 348 (167/170) ======================= q-point: ( 0.18 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 3.052 5.629 -4.596) 7.882 2.326 ( 1.349 -3.418 0.657) 3.733 2.354 ( 4.515 6.955 3.674) 9.069 2.503 ( -1.171 -6.594 8.350) 10.704 2.611 ( -2.176 3.350 -0.615) 4.042 2.673 ( -2.910 -2.489 0.485) 3.859 2.750 ( 2.107 1.382 9.623) 9.947 2.851 ( -2.718 -7.177 9.802) 12.449 2.950 ( -2.001 3.114 -8.939) 9.675 3.085 ( 1.224 -10.346 -8.205) 13.261 3.318 ( 0.925 3.026 4.738) 5.698 3.395 ( 0.716 -4.703 6.879) 8.364 4.153 ( -9.922 5.434 -11.763) 16.320 4.201 ( -5.783 0.776 -13.620) 14.817 4.402 ( -10.523 8.967 -6.936) 15.468 4.482 ( -11.664 3.711 -5.531) 13.431 4.726 ( -7.211 3.040 2.063) 8.093 4.796 ( -3.299 -2.168 -2.846) 4.867 5.149 ( 3.894 11.155 2.872) 12.159 5.307 ( 4.775 -0.595 -1.178) 4.954 5.484 ( -0.462 -1.771 -0.364) 1.866 5.533 ( 0.009 -2.980 -1.080) 3.170 5.957 ( -2.424 0.251 -8.258) 8.610 6.022 ( -4.379 -4.475 -6.882) 9.304 6.223 ( -9.227 3.734 2.093) 10.172 6.319 ( -8.463 -5.572 -1.202) 10.204 6.675 ( -0.796 8.627 4.479) 9.753 6.823 ( -4.274 -6.873 5.853) 9.988 7.500 ( 12.398 8.128 -1.556) 14.906 7.559 ( -0.150 10.489 -2.870) 10.876 7.651 ( 14.889 -7.412 -1.215) 16.677 7.763 ( 0.265 -10.040 0.208) 10.045 7.969 ( 9.209 2.783 1.789) 9.785 8.000 ( 7.023 -1.158 2.026) 7.400 9.019 ( 1.805 13.200 2.397) 13.537 9.185 ( 5.019 -4.597 6.092) 9.135 9.343 ( 8.440 3.214 -2.125) 9.278 9.438 ( 4.530 -4.260 -5.070) 8.023 9.825 ( -1.693 14.796 -4.953) 15.695 10.038 ( -3.043 -6.967 1.639) 7.778 10.778 ( -5.971 8.992 -3.940) 11.491 10.983 ( -4.707 -11.134 4.588) 12.930 11.201 ( -11.661 7.158 2.628) 13.932 11.403 ( -4.409 -12.810 4.876) 14.398 12.555 ( 12.218 3.573 -0.240) 12.732 12.629 ( 12.372 -3.691 1.093) 12.957 12.865 ( 3.467 4.196 0.728) 5.492 12.934 ( 2.486 -2.804 1.258) 3.953 15.621 ( -10.853 7.360 -2.655) 13.379 15.720 ( -6.325 -2.649 -2.990) 7.481 15.921 ( -1.228 3.196 -6.551) 7.392 15.962 ( -2.900 -0.238 -6.701) 7.305 16.338 ( -9.404 0.367 -2.679) 9.785 16.373 ( -11.951 -3.331 -3.865) 12.994 16.822 ( -2.529 1.418 3.208) 4.324 16.883 ( 1.614 -3.843 6.798) 7.974 21.162 ( 1.544 4.312 1.751) 4.903 21.223 ( 1.261 -1.738 1.626) 2.693 23.118 ( 2.345 1.857 3.169) 4.358 23.181 ( 1.770 -4.507 5.156) 7.074 ======================= Grid point 349 (168/170) ======================= q-point: ( 0.27 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.947 6.554 -6.155) 9.041 2.318 ( -2.281 -3.999 -2.019) 5.027 2.397 ( 2.651 9.294 -6.430) 11.608 2.524 ( -3.841 -1.959 4.861) 6.497 2.573 ( -3.838 -0.848 3.263) 5.108 2.597 ( -3.693 -5.496 -2.759) 7.174 2.866 ( 0.849 3.354 4.228) 5.463 2.889 ( 3.671 4.307 -1.097) 5.765 2.970 ( 3.487 -6.908 7.037) 10.459 3.055 ( 3.092 -12.166 -2.279) 12.758 3.363 ( -3.339 3.571 4.847) 6.885 3.446 ( -4.280 -5.213 5.583) 8.755 3.899 ( -7.846 4.639 -8.957) 12.780 3.961 ( -5.652 -2.099 -14.615) 15.809 4.109 ( -15.434 8.503 -8.179) 19.427 4.207 ( -14.466 3.615 -3.899) 15.412 4.616 ( -9.125 0.138 1.734) 9.289 4.717 ( -3.802 -7.895 -1.158) 8.838 5.246 ( 4.417 12.038 0.909) 12.855 5.294 ( 0.431 10.237 -1.821) 10.406 5.469 ( 0.286 -6.066 -4.305) 7.444 5.572 ( 1.847 -11.827 7.234) 13.986 5.862 ( 2.821 5.187 -7.643) 9.658 5.958 ( 4.077 -3.776 -7.630) 9.439 6.153 ( -5.936 5.004 6.651) 10.223 6.253 ( -1.383 -5.397 3.485) 6.572 6.675 ( -1.817 5.307 -1.524) 5.813 6.785 ( -3.619 -6.093 -0.506) 7.105 7.453 ( -6.206 10.971 -2.547) 12.859 7.601 ( -1.225 -0.923 1.019) 1.842 7.754 ( 3.969 -1.208 -2.897) 5.060 7.836 ( 6.341 -6.230 1.598) 9.032 8.107 ( 6.841 5.526 -1.402) 8.905 8.165 ( 10.333 -0.284 -3.064) 10.781 9.027 ( -0.614 12.257 0.418) 12.279 9.213 ( -1.695 -6.629 -3.066) 7.498 9.522 ( 10.934 -0.032 -0.103) 10.935 9.575 ( 12.423 -4.714 8.991) 16.043 9.797 ( 5.353 15.699 -4.611) 17.216 10.040 ( 1.645 -6.703 1.258) 7.016 10.627 ( -9.584 9.555 -0.481) 13.542 10.845 ( -13.080 -9.357 1.310) 16.136 11.161 ( -1.902 8.997 3.839) 9.965 11.395 ( -3.087 -13.322 1.966) 13.815 12.712 ( 8.829 4.723 -0.691) 10.037 12.784 ( 8.503 -1.720 -1.233) 8.763 12.986 ( 6.076 0.203 4.785) 7.737 13.014 ( 4.591 -1.890 2.893) 5.746 15.408 ( -12.374 7.320 -1.258) 14.432 15.556 ( -11.694 -7.231 -0.537) 13.760 15.830 ( -6.178 3.088 -2.955) 7.512 15.891 ( 0.122 -2.285 -4.320) 4.889 16.104 ( -8.038 -1.773 -5.342) 9.813 16.135 ( -9.058 -4.096 -7.173) 12.258 16.871 ( 3.388 6.492 2.265) 7.665 16.989 ( 2.729 -5.264 4.217) 7.276 21.189 ( -0.597 1.829 1.331) 2.340 21.234 ( -1.430 -2.635 0.567) 3.051 23.198 ( 2.597 2.733 3.814) 5.363 23.263 ( 1.100 -3.933 5.213) 6.622 ======================= Grid point 350 (169/170) ======================= q-point: ( 0.36 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -3.969 4.750 -6.101) 8.692 2.212 ( -6.666 -5.057 -4.743) 9.618 2.294 ( 0.066 7.370 -10.865) 13.129 2.421 ( -5.714 -6.174 -6.693) 10.750 2.601 ( 4.882 3.325 5.879) 8.334 2.671 ( 6.813 -3.784 4.537) 9.018 2.899 ( 3.496 2.531 -3.347) 5.462 2.957 ( -0.671 2.118 2.838) 3.605 3.041 ( 6.669 -2.654 -3.216) 7.865 3.143 ( -1.390 -6.598 8.567) 10.902 3.297 ( -9.254 3.056 1.505) 9.861 3.361 ( -9.806 -4.316 -0.413) 10.722 3.722 ( -3.611 -0.137 -8.484) 9.221 3.727 ( -6.524 1.414 -3.789) 7.676 3.818 ( -9.978 3.656 -4.972) 11.732 3.952 ( -13.730 -6.438 -1.826) 15.274 4.486 ( -7.526 2.119 -0.633) 7.844 4.638 ( -7.438 -11.031 0.544) 13.316 5.286 ( 6.775 10.594 -1.977) 12.730 5.375 ( 3.744 11.188 4.875) 12.766 5.481 ( 4.366 -1.315 0.809) 4.631 5.684 ( 0.902 -11.617 7.882) 14.068 5.839 ( 4.194 5.301 -9.004) 11.259 5.930 ( 5.248 -3.643 -11.725) 13.353 6.171 ( -4.083 8.037 10.454) 13.804 6.328 ( 0.679 -8.148 7.673) 11.213 6.590 ( -2.255 7.097 -5.906) 9.504 6.722 ( -1.200 -6.405 -3.836) 7.561 7.326 ( -5.709 8.680 -2.007) 10.582 7.503 ( -9.345 -9.327 -1.161) 13.254 7.831 ( 5.368 5.925 2.427) 8.356 7.930 ( 2.452 -4.052 3.966) 6.178 8.137 ( 2.359 6.031 -5.352) 8.401 8.199 ( 2.709 -0.181 -8.521) 8.943 9.052 ( 2.445 5.878 0.650) 6.400 9.150 ( -1.415 -4.877 -2.303) 5.576 9.713 ( 9.882 9.363 2.763) 13.890 9.851 ( 8.067 3.702 6.307) 10.888 9.906 ( 13.450 -0.766 -0.360) 13.477 10.111 ( 5.769 -7.270 0.532) 9.297 10.472 ( -9.781 9.544 0.758) 13.687 10.661 ( -12.396 -4.740 1.665) 13.376 11.166 ( -0.897 5.403 1.052) 5.577 11.333 ( -4.905 -9.889 -1.314) 11.117 12.830 ( 6.253 3.497 0.447) 7.179 12.883 ( 5.135 -1.287 -0.514) 5.318 13.110 ( 3.986 0.113 3.512) 5.314 13.129 ( 4.537 -1.719 3.083) 5.748 15.235 ( -7.660 4.134 -0.559) 8.723 15.368 ( -10.861 -9.612 -0.403) 14.510 15.649 ( -11.152 2.748 -0.509) 11.497 15.758 ( -13.242 -8.574 0.304) 15.778 16.036 ( 5.585 0.752 -5.336) 7.761 16.053 ( 5.728 -1.016 -6.221) 8.517 16.949 ( 3.867 6.220 0.925) 7.383 17.047 ( 0.537 -3.824 1.649) 4.199 21.175 ( -2.167 -0.485 0.549) 2.288 21.199 ( -2.646 -2.850 -0.460) 3.916 23.276 ( 2.302 2.282 3.047) 4.449 23.324 ( 0.148 -2.674 3.852) 4.691 ======================= Grid point 351 (170/170) ======================= q-point: ( 0.45 0.44 -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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -1.988 0.244 -2.676) 3.342 2.043 ( -5.243 -3.686 -4.646) 7.916 2.232 ( 2.009 1.526 -3.435) 4.262 2.282 ( -4.181 -3.885 -3.335) 6.610 2.791 ( 11.815 5.406 3.219) 13.385 2.863 ( 9.052 -1.743 3.849) 9.989 2.915 ( 2.352 0.751 -1.056) 2.685 2.936 ( 0.939 0.265 -3.535) 3.667 3.029 ( -9.865 3.854 -1.618) 10.714 3.097 ( -10.483 -1.387 1.647) 10.702 3.195 ( -1.990 0.625 0.164) 2.092 3.218 ( -3.717 -2.634 -0.418) 4.575 3.649 ( 0.937 0.884 -0.766) 1.499 3.672 ( 1.027 -3.862 -0.723) 4.061 3.698 ( -3.216 -0.495 0.078) 3.255 3.765 ( -7.765 -10.048 -0.825) 12.726 4.406 ( 0.802 -0.939 -1.498) 1.941 4.493 ( -9.383 -9.101 -0.372) 13.077 5.416 ( 8.655 13.411 -0.036) 15.962 5.476 ( -2.091 16.796 6.605) 18.168 5.597 ( 8.432 -5.647 1.931) 10.330 5.744 ( -3.623 -7.430 -1.308) 8.369 5.784 ( 0.164 -0.857 1.180) 1.468 5.859 ( 1.550 -4.928 -10.233) 11.464 6.242 ( -0.545 7.278 8.681) 11.341 6.337 ( -2.995 -1.235 -3.391) 4.690 6.572 ( 2.775 2.119 2.733) 4.434 6.656 ( -1.509 -5.215 -4.726) 7.197 7.264 ( 0.315 1.544 -0.188) 1.587 7.340 ( -7.660 -6.240 -1.673) 10.020 7.958 ( 4.555 4.234 5.522) 8.317 8.007 ( 1.418 -1.018 3.957) 4.325 8.092 ( -0.517 3.574 -4.513) 5.780 8.105 ( -1.757 2.333 -7.766) 8.297 9.092 ( 2.038 1.386 -0.111) 2.467 9.117 ( -1.134 -1.436 -0.533) 1.906 9.875 ( 7.545 13.552 1.286) 15.564 9.948 ( -0.425 11.225 1.219) 11.299 10.125 ( 10.182 -10.811 1.140) 14.894 10.201 ( 2.749 -12.183 -0.275) 12.492 10.376 ( -1.859 10.196 2.299) 10.616 10.486 ( -10.676 -0.203 -0.115) 10.679 11.174 ( 1.433 0.719 0.637) 1.726 11.235 ( -4.448 -4.838 -1.845) 6.826 12.908 ( 2.715 1.403 0.648) 3.124 12.927 ( 1.062 -0.343 -0.382) 1.180 13.188 ( 2.061 0.017 1.535) 2.570 13.199 ( 1.262 -1.073 1.004) 1.937 15.167 ( -0.411 -0.967 0.043) 1.052 15.221 ( -6.681 -6.638 -0.352) 9.424 15.537 ( -1.842 -1.402 -0.309) 2.335 15.584 ( -7.716 -6.375 0.076) 10.009 16.080 ( 3.085 0.564 -1.287) 3.390 16.085 ( 2.962 -0.050 -2.139) 3.654 17.009 ( 3.018 3.250 0.223) 4.441 17.047 ( -1.646 -0.603 0.300) 1.778 21.150 ( -1.169 -1.996 0.447) 2.356 21.157 ( -1.310 -2.718 -0.724) 3.103 23.331 ( 1.670 0.868 1.072) 2.166 23.349 ( -0.819 -0.955 1.502) 1.959 =================== 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 3/35640 10.0 2017.379 3464.326 3822.467 0.000 -522.164 0.000 3/35640 20.0 228.790 291.184 313.189 0.000 -6.877 0.000 3/35640 30.0 73.021 86.224 99.250 0.000 -0.777 0.000 3/35640 40.0 37.337 42.177 50.336 0.000 -0.370 0.000 3/35640 50.0 23.861 26.212 31.808 0.000 -0.271 0.000 3/35640 60.0 17.206 18.563 22.688 0.000 -0.214 0.000 3/35640 70.0 13.354 14.235 17.443 0.000 -0.173 0.000 3/35640 80.0 10.886 11.507 14.105 0.000 -0.143 0.000 3/35640 90.0 9.188 9.653 11.823 0.000 -0.120 0.000 3/35640 100.0 7.956 8.320 10.175 0.000 -0.102 0.000 3/35640 110.0 7.024 7.318 8.935 0.000 -0.088 0.000 3/35640 120.0 6.296 6.539 7.970 0.000 -0.077 0.000 3/35640 130.0 5.712 5.917 7.199 0.000 -0.069 0.000 3/35640 140.0 5.233 5.407 6.568 0.000 -0.061 0.000 3/35640 150.0 4.832 4.982 6.043 0.000 -0.056 0.000 3/35640 160.0 4.492 4.622 5.599 0.000 -0.051 0.000 3/35640 170.0 4.200 4.312 5.217 0.000 -0.046 0.000 3/35640 180.0 3.945 4.043 4.887 0.000 -0.043 0.000 3/35640 190.0 3.721 3.807 4.597 0.000 -0.040 0.000 3/35640 200.0 3.522 3.598 4.341 0.000 -0.037 0.000 3/35640 210.0 3.345 3.412 4.112 0.000 -0.035 0.000 3/35640 220.0 3.185 3.244 3.908 0.000 -0.033 0.000 3/35640 230.0 3.041 3.093 3.723 0.000 -0.031 0.000 3/35640 240.0 2.909 2.956 3.556 0.000 -0.029 0.000 3/35640 250.0 2.789 2.831 3.403 0.000 -0.028 0.000 3/35640 260.0 2.678 2.716 3.263 0.000 -0.026 0.000 3/35640 270.0 2.577 2.610 3.135 0.000 -0.025 0.000 3/35640 280.0 2.482 2.512 3.016 0.000 -0.024 0.000 3/35640 290.0 2.395 2.422 2.907 0.000 -0.023 0.000 3/35640 300.0 2.314 2.338 2.805 0.000 -0.022 0.000 3/35640 310.0 2.238 2.260 2.710 0.000 -0.021 0.000 3/35640 320.0 2.167 2.187 2.622 0.000 -0.020 0.000 3/35640 330.0 2.101 2.118 2.539 0.000 -0.020 0.000 3/35640 340.0 2.038 2.054 2.461 0.000 -0.019 0.000 3/35640 350.0 1.979 1.994 2.389 0.000 -0.018 0.000 3/35640 360.0 1.924 1.937 2.320 0.000 -0.018 0.000 3/35640 370.0 1.871 1.883 2.255 0.000 -0.017 0.000 3/35640 380.0 1.822 1.832 2.194 0.000 -0.017 0.000 3/35640 390.0 1.775 1.784 2.136 0.000 -0.016 0.000 3/35640 400.0 1.730 1.739 2.081 0.000 -0.016 0.000 3/35640 410.0 1.688 1.695 2.029 0.000 -0.015 0.000 3/35640 420.0 1.647 1.654 1.980 0.000 -0.015 0.000 3/35640 430.0 1.609 1.615 1.932 0.000 -0.015 0.000 3/35640 440.0 1.572 1.578 1.887 0.000 -0.014 0.000 3/35640 450.0 1.537 1.542 1.845 0.000 -0.014 0.000 3/35640 460.0 1.503 1.508 1.804 0.000 -0.014 0.000 3/35640 470.0 1.471 1.476 1.765 0.000 -0.013 0.000 3/35640 480.0 1.441 1.444 1.727 0.000 -0.013 0.000 3/35640 490.0 1.411 1.414 1.691 0.000 -0.013 0.000 3/35640 500.0 1.383 1.386 1.657 0.000 -0.012 0.000 3/35640 510.0 1.356 1.358 1.624 0.000 -0.012 0.000 3/35640 520.0 1.330 1.332 1.592 0.000 -0.012 0.000 3/35640 530.0 1.304 1.306 1.561 0.000 -0.012 0.000 3/35640 540.0 1.280 1.282 1.532 0.000 -0.011 0.000 3/35640 550.0 1.257 1.258 1.504 0.000 -0.011 0.000 3/35640 560.0 1.234 1.236 1.477 0.000 -0.011 0.000 3/35640 570.0 1.213 1.214 1.450 0.000 -0.011 0.000 3/35640 580.0 1.192 1.193 1.425 0.000 -0.011 0.000 3/35640 590.0 1.172 1.172 1.401 0.000 -0.010 0.000 3/35640 600.0 1.152 1.153 1.377 0.000 -0.010 0.000 3/35640 610.0 1.133 1.133 1.354 0.000 -0.010 0.000 3/35640 620.0 1.115 1.115 1.332 0.000 -0.010 0.000 3/35640 630.0 1.097 1.097 1.311 0.000 -0.010 0.000 3/35640 640.0 1.080 1.080 1.290 0.000 -0.010 0.000 3/35640 650.0 1.063 1.063 1.270 0.000 -0.009 0.000 3/35640 660.0 1.047 1.047 1.251 0.000 -0.009 0.000 3/35640 670.0 1.032 1.031 1.232 0.000 -0.009 0.000 3/35640 680.0 1.016 1.016 1.213 0.000 -0.009 0.000 3/35640 690.0 1.002 1.001 1.196 0.000 -0.009 0.000 3/35640 700.0 0.987 0.987 1.178 0.000 -0.009 0.000 3/35640 710.0 0.973 0.973 1.162 0.000 -0.009 0.000 3/35640 720.0 0.960 0.959 1.145 0.000 -0.008 0.000 3/35640 730.0 0.947 0.946 1.130 0.000 -0.008 0.000 3/35640 740.0 0.934 0.933 1.114 0.000 -0.008 0.000 3/35640 750.0 0.921 0.921 1.099 0.000 -0.008 0.000 3/35640 760.0 0.909 0.908 1.085 0.000 -0.008 0.000 3/35640 770.0 0.898 0.897 1.070 0.000 -0.008 0.000 3/35640 780.0 0.886 0.885 1.057 0.000 -0.008 0.000 3/35640 790.0 0.875 0.874 1.043 0.000 -0.008 0.000 3/35640 800.0 0.864 0.863 1.030 0.000 -0.008 0.000 3/35640 810.0 0.853 0.852 1.017 0.000 -0.007 0.000 3/35640 820.0 0.843 0.842 1.005 0.000 -0.007 0.000 3/35640 830.0 0.833 0.831 0.993 0.000 -0.007 0.000 3/35640 840.0 0.823 0.821 0.981 0.000 -0.007 0.000 3/35640 850.0 0.813 0.812 0.969 0.000 -0.007 0.000 3/35640 860.0 0.804 0.802 0.958 0.000 -0.007 0.000 3/35640 870.0 0.794 0.793 0.947 0.000 -0.007 0.000 3/35640 880.0 0.785 0.784 0.936 0.000 -0.007 0.000 3/35640 890.0 0.777 0.775 0.925 0.000 -0.007 0.000 3/35640 900.0 0.768 0.767 0.915 0.000 -0.007 0.000 3/35640 910.0 0.759 0.758 0.905 0.000 -0.007 0.000 3/35640 920.0 0.751 0.750 0.895 0.000 -0.007 0.000 3/35640 930.0 0.743 0.742 0.885 0.000 -0.006 0.000 3/35640 940.0 0.735 0.734 0.876 0.000 -0.006 0.000 3/35640 950.0 0.727 0.726 0.867 0.000 -0.006 0.000 3/35640 960.0 0.720 0.718 0.858 0.000 -0.006 0.000 3/35640 970.0 0.712 0.711 0.849 0.000 -0.006 0.000 3/35640 980.0 0.705 0.704 0.840 0.000 -0.006 0.000 3/35640 990.0 0.698 0.697 0.831 0.000 -0.006 0.000 3/35640 1000.0 0.691 0.690 0.823 0.000 -0.006 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m1196.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:08:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|