----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:37:34]------------------------- 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: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.087769575000001 4.087769575000001 4.075683505000000 b 4.087769575000001 -4.087769575000001 4.075683505000000 c 4.087769575000001 4.087769575000001 -4.075683505000000 Atomic positions (fractional): *1 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 2 Yb 0.75000000000000 0.25000000000000 0.50000000000000 173.054 *3 Ho 0.87500000000000 0.49716448921545 0.12216448921545 164.930 4 Ho 0.37500000000000 0.75283551078455 0.87783551078455 164.930 5 Ho 0.50283551078455 0.62500000000000 0.37783551078455 164.930 6 Ho 0.24716448921545 0.12500000000000 0.62216448921545 164.930 *7 S 0.12932334808802 0.37950222915872 0.89810078001842 32.065 8 S 0.98122256806960 0.73140144914029 0.60189921998158 32.065 9 S 0.62049777084128 0.51859855085971 0.74982111892930 32.065 10 S 0.76877743193040 0.87067665191198 0.25017888107069 32.065 11 S 0.48140144914029 0.23122256806960 0.10189921998158 32.065 12 S 0.62067665191198 0.01877743193040 0.75017888107069 32.065 13 S 0.26859855085971 0.87049777084128 0.24982111892930 32.065 14 S 0.12950222915872 0.37932334808802 0.39810078001842 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.175539150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.175539150000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.151367010000000 Atomic positions (fractional): *1 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 1 2 Yb 0.50000000000000 0.00000000000000 0.75000000000000 173.054 > 2 3 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 1 4 Yb 0.00000000000000 0.50000000000000 0.25000000000000 173.054 > 2 *5 Ho 0.87216448921545 0.25000000000000 0.62500000000000 164.930 > 3 6 Ho 0.62783551078455 0.25000000000000 0.12500000000000 164.930 > 4 7 Ho 0.25000000000000 0.12783551078455 0.37500000000000 164.930 > 5 8 Ho 0.25000000000000 0.37216448921545 0.87500000000000 164.930 > 6 9 Ho 0.37216448921545 0.75000000000000 0.12500000000000 164.930 > 3 10 Ho 0.12783551078455 0.75000000000000 0.62500000000000 164.930 > 4 11 Ho 0.75000000000000 0.62783551078455 0.87500000000000 164.930 > 5 12 Ho 0.75000000000000 0.87216448921545 0.37500000000000 164.930 > 6 *13 S 0.57413983054456 0.32396094947386 0.80536239861416 32.065 > 7 14 S 0.17603905052614 0.42586016945544 0.55536239861416 32.065 > 8 15 S 0.32396094947386 0.42586016945544 0.19463760138584 32.065 > 9 16 S 0.17603905052614 0.07413983054456 0.69463760138584 32.065 > 10 17 S 0.92586016945544 0.17603905052614 0.30536239861416 32.065 > 11 18 S 0.07413983054456 0.67603905052614 0.94463760138584 32.065 > 12 19 S 0.42586016945544 0.82396094947386 0.44463760138584 32.065 > 13 20 S 0.32396094947386 0.07413983054456 0.05536239861416 32.065 > 14 21 S 0.07413983054456 0.82396094947386 0.30536239861416 32.065 > 7 22 S 0.67603905052614 0.92586016945544 0.05536239861416 32.065 > 8 23 S 0.82396094947386 0.92586016945544 0.69463760138584 32.065 > 9 24 S 0.67603905052614 0.57413983054456 0.19463760138584 32.065 > 10 25 S 0.42586016945544 0.67603905052614 0.80536239861416 32.065 > 11 26 S 0.57413983054456 0.17603905052614 0.44463760138584 32.065 > 12 27 S 0.92586016945544 0.32396094947386 0.94463760138584 32.065 > 13 28 S 0.82396094947386 0.57413983054456 0.55536239861416 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.175539150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.175539150000002 0.000000000000000 c 0.000000000000000 0.000000000000000 16.302734019999999 Atomic positions (fractional): *1 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 1 3 Yb 0.50000000000000 0.00000000000000 0.37500000000000 173.054 > 2 4 Yb 0.50000000000000 0.00000000000000 0.87500000000000 173.054 > 2 5 Yb 0.50000000000000 0.50000000000000 0.25000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.75000000000000 173.054 > 1 7 Yb 0.00000000000000 0.50000000000000 0.12500000000000 173.054 > 2 8 Yb 0.00000000000000 0.50000000000000 0.62500000000000 173.054 > 2 *9 Ho 0.87216448921545 0.25000000000000 0.31250000000000 164.930 > 3 10 Ho 0.87216448921545 0.25000000000000 0.81250000000000 164.930 > 3 11 Ho 0.62783551078455 0.25000000000000 0.06250000000000 164.930 > 4 12 Ho 0.62783551078455 0.25000000000000 0.56250000000000 164.930 > 4 13 Ho 0.25000000000000 0.12783551078455 0.18750000000000 164.930 > 5 14 Ho 0.25000000000000 0.12783551078455 0.68750000000000 164.930 > 5 15 Ho 0.25000000000000 0.37216448921545 0.43750000000000 164.930 > 6 16 Ho 0.25000000000000 0.37216448921545 0.93750000000000 164.930 > 6 17 Ho 0.37216448921545 0.75000000000000 0.06250000000000 164.930 > 3 18 Ho 0.37216448921545 0.75000000000000 0.56250000000000 164.930 > 3 19 Ho 0.12783551078455 0.75000000000000 0.31250000000000 164.930 > 4 20 Ho 0.12783551078455 0.75000000000000 0.81250000000000 164.930 > 4 21 Ho 0.75000000000000 0.62783551078455 0.43750000000000 164.930 > 5 22 Ho 0.75000000000000 0.62783551078455 0.93750000000000 164.930 > 5 23 Ho 0.75000000000000 0.87216448921545 0.18750000000000 164.930 > 6 24 Ho 0.75000000000000 0.87216448921545 0.68750000000000 164.930 > 6 *25 S 0.57413983054456 0.32396094947386 0.40268119930708 32.065 > 7 26 S 0.57413983054456 0.32396094947386 0.90268119930708 32.065 > 7 27 S 0.17603905052614 0.42586016945544 0.27768119930708 32.065 > 8 28 S 0.17603905052614 0.42586016945544 0.77768119930708 32.065 > 8 29 S 0.32396094947386 0.42586016945544 0.09731880069292 32.065 > 9 30 S 0.32396094947386 0.42586016945544 0.59731880069292 32.065 > 9 31 S 0.17603905052614 0.07413983054456 0.34731880069292 32.065 > 10 32 S 0.17603905052614 0.07413983054456 0.84731880069292 32.065 > 10 33 S 0.92586016945544 0.17603905052614 0.15268119930708 32.065 > 11 34 S 0.92586016945544 0.17603905052614 0.65268119930708 32.065 > 11 35 S 0.07413983054456 0.67603905052614 0.47231880069292 32.065 > 12 36 S 0.07413983054456 0.67603905052614 0.97231880069292 32.065 > 12 37 S 0.42586016945544 0.82396094947386 0.22231880069292 32.065 > 13 38 S 0.42586016945544 0.82396094947386 0.72231880069292 32.065 > 13 39 S 0.32396094947386 0.07413983054456 0.02768119930708 32.065 > 14 40 S 0.32396094947386 0.07413983054456 0.52768119930708 32.065 > 14 41 S 0.07413983054456 0.82396094947386 0.15268119930708 32.065 > 7 42 S 0.07413983054456 0.82396094947386 0.65268119930708 32.065 > 7 43 S 0.67603905052614 0.92586016945544 0.02768119930708 32.065 > 8 44 S 0.67603905052614 0.92586016945544 0.52768119930708 32.065 > 8 45 S 0.82396094947386 0.92586016945544 0.34731880069292 32.065 > 9 46 S 0.82396094947386 0.92586016945544 0.84731880069292 32.065 > 9 47 S 0.67603905052614 0.57413983054456 0.09731880069292 32.065 > 10 48 S 0.67603905052614 0.57413983054456 0.59731880069292 32.065 > 10 49 S 0.42586016945544 0.67603905052614 0.40268119930708 32.065 > 11 50 S 0.42586016945544 0.67603905052614 0.90268119930708 32.065 > 11 51 S 0.57413983054456 0.17603905052614 0.22231880069292 32.065 > 12 52 S 0.57413983054456 0.17603905052614 0.72231880069292 32.065 > 12 53 S 0.92586016945544 0.32396094947386 0.47231880069292 32.065 > 13 54 S 0.92586016945544 0.32396094947386 0.97231880069292 32.065 > 13 55 S 0.82396094947386 0.57413983054456 0.27768119930708 32.065 > 14 56 S 0.82396094947386 0.57413983054456 0.77768119930708 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3302461 0.0000000 0.0000000 0.0000000 8.3302461 0.0000000 0.0000000 0.0000000 8.2273874 -------------------------- Born effective charges -------------------------- 1 Yb 2.4484827 -0.0869426 0.0000000 0.0869426 2.4484827 0.0000000 0.0000000 0.0000000 2.7922515 2 Yb 2.4484827 0.0869426 0.0000000 -0.0869426 2.4484827 0.0000000 0.0000000 0.0000000 2.7922515 3 Ho 3.8045536 0.0000000 0.0000000 0.0000000 4.0632615 0.2839214 0.0000000 0.2400745 3.7671360 4 Ho 3.8045536 0.0000000 0.0000000 0.0000000 4.0632615 -0.2839214 0.0000000 -0.2400745 3.7671360 5 Ho 4.0632615 0.0000000 -0.2839214 0.0000000 3.8045536 0.0000000 -0.2400745 0.0000000 3.7671360 6 Ho 4.0632615 0.0000000 0.2839214 0.0000000 3.8045536 0.0000000 0.2400745 0.0000000 3.7671360 7 S -2.8617259 -0.1439437 0.2276268 -0.1510726 -2.2964229 0.1751408 0.3727174 0.0633453 -2.5816308 8 S -2.2964229 -0.1510726 -0.1751408 -0.1439437 -2.8617259 -0.2276268 -0.0633453 -0.3727174 -2.5816308 9 S -2.2964229 0.1510726 -0.1751408 0.1439437 -2.8617259 0.2276268 -0.0633453 0.3727174 -2.5816308 10 S -2.2964229 0.1510726 0.1751408 0.1439437 -2.8617259 -0.2276268 0.0633453 -0.3727174 -2.5816308 11 S -2.8617259 -0.1439437 -0.2276268 -0.1510726 -2.2964229 -0.1751408 -0.3727174 -0.0633453 -2.5816308 12 S -2.8617259 0.1439437 -0.2276268 0.1510726 -2.2964229 0.1751408 -0.3727174 0.0633453 -2.5816308 13 S -2.8617259 0.1439437 0.2276268 0.1510726 -2.2964229 -0.1751408 0.3727174 -0.0633453 -2.5816308 14 S -2.2964229 -0.1510726 0.1751408 -0.1439437 -2.8617259 0.2276268 0.0633453 0.3727174 -2.5816308 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 474 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 123 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (474, 457), data: False |-- (63, 60), data: True |-- (96, 93), data: True |-- (123, 118), data: True |-- (192, 186), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.227 Solver_block: 200 / 240 - Time: 0.228 Solver_block: 240 / 240 - Time: 0.105 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.572 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 168/168 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 474 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 123 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (474, 457), data: False |-- (63, 60), data: True |-- (96, 93), data: True |-- (123, 118), data: True |-- (192, 186), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 21:37:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:37:40]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.087769575000001 4.087769575000001 4.075683505000000 b 4.087769575000001 -4.087769575000001 4.075683505000000 c 4.087769575000001 4.087769575000001 -4.075683505000000 Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 2 Yb 0.75000000000000 0.25000000000000 0.50000000000000 173.054 3 Ho 0.87500000000000 0.49716448921545 0.12216448921545 164.930 4 Ho 0.37500000000000 0.75283551078455 0.87783551078455 164.930 5 Ho 0.50283551078455 0.62500000000000 0.37783551078455 164.930 6 Ho 0.24716448921545 0.12500000000000 0.62216448921545 164.930 7 S 0.12932334808802 0.37950222915872 0.89810078001842 32.065 8 S 0.98122256806960 0.73140144914029 0.60189921998158 32.065 9 S 0.62049777084128 0.51859855085971 0.74982111892930 32.065 10 S 0.76877743193040 0.87067665191198 0.25017888107069 32.065 11 S 0.48140144914029 0.23122256806960 0.10189921998158 32.065 12 S 0.62067665191198 0.01877743193040 0.75017888107069 32.065 13 S 0.26859855085971 0.87049777084128 0.24982111892930 32.065 14 S 0.12950222915872 0.37932334808802 0.39810078001842 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.175539150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.175539150000002 0.000000000000000 c 0.000000000000000 0.000000000000000 16.302734019999999 Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 1 3 Yb 0.50000000000000 0.00000000000000 0.37500000000000 173.054 > 3 4 Yb 0.50000000000000 0.00000000000000 0.87500000000000 173.054 > 3 5 Yb 0.50000000000000 0.50000000000000 0.25000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.75000000000000 173.054 > 1 7 Yb 0.00000000000000 0.50000000000000 0.12500000000000 173.054 > 3 8 Yb 0.00000000000000 0.50000000000000 0.62500000000000 173.054 > 3 9 Ho 0.87216448921545 0.25000000000000 0.31250000000000 164.930 > 9 10 Ho 0.87216448921545 0.25000000000000 0.81250000000000 164.930 > 9 11 Ho 0.62783551078455 0.25000000000000 0.06250000000000 164.930 > 11 12 Ho 0.62783551078455 0.25000000000000 0.56250000000000 164.930 > 11 13 Ho 0.25000000000000 0.12783551078455 0.18750000000000 164.930 > 13 14 Ho 0.25000000000000 0.12783551078455 0.68750000000000 164.930 > 13 15 Ho 0.25000000000000 0.37216448921545 0.43750000000000 164.930 > 15 16 Ho 0.25000000000000 0.37216448921545 0.93750000000000 164.930 > 15 17 Ho 0.37216448921545 0.75000000000000 0.06250000000000 164.930 > 9 18 Ho 0.37216448921545 0.75000000000000 0.56250000000000 164.930 > 9 19 Ho 0.12783551078455 0.75000000000000 0.31250000000000 164.930 > 11 20 Ho 0.12783551078455 0.75000000000000 0.81250000000000 164.930 > 11 21 Ho 0.75000000000000 0.62783551078455 0.43750000000000 164.930 > 13 22 Ho 0.75000000000000 0.62783551078455 0.93750000000000 164.930 > 13 23 Ho 0.75000000000000 0.87216448921545 0.18750000000000 164.930 > 15 24 Ho 0.75000000000000 0.87216448921545 0.68750000000000 164.930 > 15 25 S 0.57413983054456 0.32396094947386 0.40268119930708 32.065 > 25 26 S 0.57413983054456 0.32396094947386 0.90268119930708 32.065 > 25 27 S 0.17603905052614 0.42586016945544 0.27768119930708 32.065 > 27 28 S 0.17603905052614 0.42586016945544 0.77768119930708 32.065 > 27 29 S 0.32396094947386 0.42586016945544 0.09731880069292 32.065 > 29 30 S 0.32396094947386 0.42586016945544 0.59731880069292 32.065 > 29 31 S 0.17603905052614 0.07413983054456 0.34731880069292 32.065 > 31 32 S 0.17603905052614 0.07413983054456 0.84731880069292 32.065 > 31 33 S 0.92586016945544 0.17603905052614 0.15268119930708 32.065 > 33 34 S 0.92586016945544 0.17603905052614 0.65268119930708 32.065 > 33 35 S 0.07413983054456 0.67603905052614 0.47231880069292 32.065 > 35 36 S 0.07413983054456 0.67603905052614 0.97231880069292 32.065 > 35 37 S 0.42586016945544 0.82396094947386 0.22231880069292 32.065 > 37 38 S 0.42586016945544 0.82396094947386 0.72231880069292 32.065 > 37 39 S 0.32396094947386 0.07413983054456 0.02768119930708 32.065 > 39 40 S 0.32396094947386 0.07413983054456 0.52768119930708 32.065 > 39 41 S 0.07413983054456 0.82396094947386 0.15268119930708 32.065 > 25 42 S 0.07413983054456 0.82396094947386 0.65268119930708 32.065 > 25 43 S 0.67603905052614 0.92586016945544 0.02768119930708 32.065 > 27 44 S 0.67603905052614 0.92586016945544 0.52768119930708 32.065 > 27 45 S 0.82396094947386 0.92586016945544 0.34731880069292 32.065 > 29 46 S 0.82396094947386 0.92586016945544 0.84731880069292 32.065 > 29 47 S 0.67603905052614 0.57413983054456 0.09731880069292 32.065 > 31 48 S 0.67603905052614 0.57413983054456 0.59731880069292 32.065 > 31 49 S 0.42586016945544 0.67603905052614 0.40268119930708 32.065 > 33 50 S 0.42586016945544 0.67603905052614 0.90268119930708 32.065 > 33 51 S 0.57413983054456 0.17603905052614 0.22231880069292 32.065 > 35 52 S 0.57413983054456 0.17603905052614 0.72231880069292 32.065 > 35 53 S 0.92586016945544 0.32396094947386 0.47231880069292 32.065 > 37 54 S 0.92586016945544 0.32396094947386 0.97231880069292 32.065 > 37 55 S 0.82396094947386 0.57413983054456 0.27768119930708 32.065 > 39 56 S 0.82396094947386 0.57413983054456 0.77768119930708 32.065 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3302461 0.0000000 0.0000000 0.0000000 8.3302461 0.0000000 0.0000000 0.0000000 8.2273874 -------------------------- Born effective charges -------------------------- 1 Yb 2.4484827 -0.0869426 0.0000000 0.0869426 2.4484827 0.0000000 0.0000000 0.0000000 2.7922515 2 Yb 2.4484827 0.0869426 0.0000000 -0.0869426 2.4484827 0.0000000 0.0000000 0.0000000 2.7922515 3 Ho 3.8045536 0.0000000 0.0000000 0.0000000 4.0632615 0.2839214 0.0000000 0.2400745 3.7671360 4 Ho 3.8045536 0.0000000 0.0000000 0.0000000 4.0632615 -0.2839214 0.0000000 -0.2400745 3.7671360 5 Ho 4.0632615 0.0000000 -0.2839214 0.0000000 3.8045536 0.0000000 -0.2400745 0.0000000 3.7671360 6 Ho 4.0632615 0.0000000 0.2839214 0.0000000 3.8045536 0.0000000 0.2400745 0.0000000 3.7671360 7 S -2.8617259 -0.1439437 0.2276268 -0.1510726 -2.2964229 0.1751408 0.3727174 0.0633453 -2.5816308 8 S -2.2964229 -0.1510726 -0.1751408 -0.1439437 -2.8617259 -0.2276268 -0.0633453 -0.3727174 -2.5816308 9 S -2.2964229 0.1510726 -0.1751408 0.1439437 -2.8617259 0.2276268 -0.0633453 0.3727174 -2.5816308 10 S -2.2964229 0.1510726 0.1751408 0.1439437 -2.8617259 -0.2276268 0.0633453 -0.3727174 -2.5816308 11 S -2.8617259 -0.1439437 -0.2276268 -0.1510726 -2.2964229 -0.1751408 -0.3727174 -0.0633453 -2.5816308 12 S -2.8617259 0.1439437 -0.2276268 0.1510726 -2.2964229 0.1751408 -0.3727174 0.0633453 -2.5816308 13 S -2.8617259 0.1439437 0.2276268 0.1510726 -2.2964229 -0.1751408 0.3727174 -0.0633453 -2.5816308 14 S -2.2964229 -0.1510726 0.1751408 -0.1439437 -2.8617259 0.2276268 0.0633453 0.3727174 -2.5816308 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 21:37:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:37:45]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.087769575000001 4.087769575000001 4.075683505000000 b 4.087769575000001 -4.087769575000001 4.075683505000000 c 4.087769575000001 4.087769575000001 -4.075683505000000 Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 2 Yb 0.75000000000000 0.25000000000000 0.50000000000000 173.054 3 Ho 0.87500000000000 0.49716448921545 0.12216448921545 164.930 4 Ho 0.37500000000000 0.75283551078455 0.87783551078455 164.930 5 Ho 0.50283551078455 0.62500000000000 0.37783551078455 164.930 6 Ho 0.24716448921545 0.12500000000000 0.62216448921545 164.930 7 S 0.12932334808802 0.37950222915872 0.89810078001842 32.065 8 S 0.98122256806960 0.73140144914029 0.60189921998158 32.065 9 S 0.62049777084128 0.51859855085971 0.74982111892930 32.065 10 S 0.76877743193040 0.87067665191198 0.25017888107069 32.065 11 S 0.48140144914029 0.23122256806960 0.10189921998158 32.065 12 S 0.62067665191198 0.01877743193040 0.75017888107069 32.065 13 S 0.26859855085971 0.87049777084128 0.24982111892930 32.065 14 S 0.12950222915872 0.37932334808802 0.39810078001842 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.175539150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.175539150000002 0.000000000000000 c 0.000000000000000 0.000000000000000 16.302734019999999 Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 1 3 Yb 0.50000000000000 0.00000000000000 0.37500000000000 173.054 > 3 4 Yb 0.50000000000000 0.00000000000000 0.87500000000000 173.054 > 3 5 Yb 0.50000000000000 0.50000000000000 0.25000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.75000000000000 173.054 > 1 7 Yb 0.00000000000000 0.50000000000000 0.12500000000000 173.054 > 3 8 Yb 0.00000000000000 0.50000000000000 0.62500000000000 173.054 > 3 9 Ho 0.87216448921545 0.25000000000000 0.31250000000000 164.930 > 9 10 Ho 0.87216448921545 0.25000000000000 0.81250000000000 164.930 > 9 11 Ho 0.62783551078455 0.25000000000000 0.06250000000000 164.930 > 11 12 Ho 0.62783551078455 0.25000000000000 0.56250000000000 164.930 > 11 13 Ho 0.25000000000000 0.12783551078455 0.18750000000000 164.930 > 13 14 Ho 0.25000000000000 0.12783551078455 0.68750000000000 164.930 > 13 15 Ho 0.25000000000000 0.37216448921545 0.43750000000000 164.930 > 15 16 Ho 0.25000000000000 0.37216448921545 0.93750000000000 164.930 > 15 17 Ho 0.37216448921545 0.75000000000000 0.06250000000000 164.930 > 9 18 Ho 0.37216448921545 0.75000000000000 0.56250000000000 164.930 > 9 19 Ho 0.12783551078455 0.75000000000000 0.31250000000000 164.930 > 11 20 Ho 0.12783551078455 0.75000000000000 0.81250000000000 164.930 > 11 21 Ho 0.75000000000000 0.62783551078455 0.43750000000000 164.930 > 13 22 Ho 0.75000000000000 0.62783551078455 0.93750000000000 164.930 > 13 23 Ho 0.75000000000000 0.87216448921545 0.18750000000000 164.930 > 15 24 Ho 0.75000000000000 0.87216448921545 0.68750000000000 164.930 > 15 25 S 0.57413983054456 0.32396094947386 0.40268119930708 32.065 > 25 26 S 0.57413983054456 0.32396094947386 0.90268119930708 32.065 > 25 27 S 0.17603905052614 0.42586016945544 0.27768119930708 32.065 > 27 28 S 0.17603905052614 0.42586016945544 0.77768119930708 32.065 > 27 29 S 0.32396094947386 0.42586016945544 0.09731880069292 32.065 > 29 30 S 0.32396094947386 0.42586016945544 0.59731880069292 32.065 > 29 31 S 0.17603905052614 0.07413983054456 0.34731880069292 32.065 > 31 32 S 0.17603905052614 0.07413983054456 0.84731880069292 32.065 > 31 33 S 0.92586016945544 0.17603905052614 0.15268119930708 32.065 > 33 34 S 0.92586016945544 0.17603905052614 0.65268119930708 32.065 > 33 35 S 0.07413983054456 0.67603905052614 0.47231880069292 32.065 > 35 36 S 0.07413983054456 0.67603905052614 0.97231880069292 32.065 > 35 37 S 0.42586016945544 0.82396094947386 0.22231880069292 32.065 > 37 38 S 0.42586016945544 0.82396094947386 0.72231880069292 32.065 > 37 39 S 0.32396094947386 0.07413983054456 0.02768119930708 32.065 > 39 40 S 0.32396094947386 0.07413983054456 0.52768119930708 32.065 > 39 41 S 0.07413983054456 0.82396094947386 0.15268119930708 32.065 > 25 42 S 0.07413983054456 0.82396094947386 0.65268119930708 32.065 > 25 43 S 0.67603905052614 0.92586016945544 0.02768119930708 32.065 > 27 44 S 0.67603905052614 0.92586016945544 0.52768119930708 32.065 > 27 45 S 0.82396094947386 0.92586016945544 0.34731880069292 32.065 > 29 46 S 0.82396094947386 0.92586016945544 0.84731880069292 32.065 > 29 47 S 0.67603905052614 0.57413983054456 0.09731880069292 32.065 > 31 48 S 0.67603905052614 0.57413983054456 0.59731880069292 32.065 > 31 49 S 0.42586016945544 0.67603905052614 0.40268119930708 32.065 > 33 50 S 0.42586016945544 0.67603905052614 0.90268119930708 32.065 > 33 51 S 0.57413983054456 0.17603905052614 0.22231880069292 32.065 > 35 52 S 0.57413983054456 0.17603905052614 0.72231880069292 32.065 > 35 53 S 0.92586016945544 0.32396094947386 0.47231880069292 32.065 > 37 54 S 0.92586016945544 0.32396094947386 0.97231880069292 32.065 > 37 55 S 0.82396094947386 0.57413983054456 0.27768119930708 32.065 > 39 56 S 0.82396094947386 0.57413983054456 0.77768119930708 32.065 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3302461 0.0000000 0.0000000 0.0000000 8.3302461 0.0000000 0.0000000 0.0000000 8.2273874 -------------------------- Born effective charges -------------------------- 1 Yb 2.4484827 -0.0869426 0.0000000 0.0869426 2.4484827 0.0000000 0.0000000 0.0000000 2.7922515 2 Yb 2.4484827 0.0869426 0.0000000 -0.0869426 2.4484827 0.0000000 0.0000000 0.0000000 2.7922515 3 Ho 3.8045536 0.0000000 0.0000000 0.0000000 4.0632615 0.2839214 0.0000000 0.2400745 3.7671360 4 Ho 3.8045536 0.0000000 0.0000000 0.0000000 4.0632615 -0.2839214 0.0000000 -0.2400745 3.7671360 5 Ho 4.0632615 0.0000000 -0.2839214 0.0000000 3.8045536 0.0000000 -0.2400745 0.0000000 3.7671360 6 Ho 4.0632615 0.0000000 0.2839214 0.0000000 3.8045536 0.0000000 0.2400745 0.0000000 3.7671360 7 S -2.8617259 -0.1439437 0.2276268 -0.1510726 -2.2964229 0.1751408 0.3727174 0.0633453 -2.5816308 8 S -2.2964229 -0.1510726 -0.1751408 -0.1439437 -2.8617259 -0.2276268 -0.0633453 -0.3727174 -2.5816308 9 S -2.2964229 0.1510726 -0.1751408 0.1439437 -2.8617259 0.2276268 -0.0633453 0.3727174 -2.5816308 10 S -2.2964229 0.1510726 0.1751408 0.1439437 -2.8617259 -0.2276268 0.0633453 -0.3727174 -2.5816308 11 S -2.8617259 -0.1439437 -0.2276268 -0.1510726 -2.2964229 -0.1751408 -0.3727174 -0.0633453 -2.5816308 12 S -2.8617259 0.1439437 -0.2276268 0.1510726 -2.2964229 0.1751408 -0.3727174 0.0633453 -2.5816308 13 S -2.8617259 0.1439437 0.2276268 0.1510726 -2.2964229 -0.1751408 0.3727174 -0.0633453 -2.5816308 14 S -2.2964229 -0.1510726 0.1751408 -0.1439437 -2.8617259 0.2276268 0.0633453 0.3727174 -2.5816308 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 9 9 9 ] 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: 321, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.105 ( -0.000 -0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 3.056 ( -0.000 -0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.421 ( -0.000 -0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 -0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 -0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.302 ( -0.000 -0.000 0.000) 0.000 6.302 ( 0.000 -0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 -0.000 0.000) 0.000 7.177 ( -0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.685 ( -0.000 -0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 -0.000 0.000) 0.000 8.434 ( -0.000 -0.000 0.000) 0.000 8.642 ( -0.000 -0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 -0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 14.684 17.456) 22.811 0.496 ( 0.000 18.066 17.414) 25.093 0.840 ( 0.000 26.808 33.361) 42.797 2.095 ( -0.000 -1.308 -0.260) 1.334 2.158 ( -0.000 -2.188 -1.090) 2.444 2.370 ( 0.000 0.882 -0.153) 0.895 2.390 ( 0.000 2.894 -1.186) 3.128 2.412 ( 0.000 -0.189 2.285) 2.293 2.746 ( -0.000 -1.084 -1.574) 1.911 2.758 ( -0.000 0.019 -1.494) 1.494 2.841 ( 0.000 -0.367 3.038) 3.060 3.001 ( -0.000 0.146 -5.165) 5.167 3.358 ( -0.000 -3.855 -3.840) 5.441 3.407 ( -0.000 2.189 -6.821) 7.164 3.648 ( 0.000 -2.809 4.596) 5.387 3.705 ( 0.000 -4.923 6.876) 8.456 3.841 ( -0.000 -0.257 -1.066) 1.096 3.873 ( 0.000 4.422 1.549) 4.685 5.793 ( -0.000 -0.994 0.826) 1.293 5.800 ( 0.000 -0.122 0.453) 0.469 5.987 ( -0.000 3.014 -8.534) 9.050 6.048 ( 0.000 0.177 1.572) 1.582 6.083 ( 0.000 1.835 -0.527) 1.909 6.185 ( 0.000 10.460 -6.885) 12.523 6.263 ( -0.000 -2.372 1.628) 2.877 6.317 ( 0.000 -0.055 2.048) 2.048 6.328 ( 0.000 0.935 2.244) 2.431 7.139 ( -0.000 -4.605 -0.741) 4.664 7.164 ( -0.000 -1.686 -0.059) 1.688 7.258 ( -0.000 -3.071 -3.332) 4.532 7.524 ( 0.000 5.206 1.788) 5.504 7.714 ( 0.000 1.713 2.677) 3.179 7.770 ( 0.000 9.614 0.648) 9.636 8.146 ( 0.000 1.541 0.853) 1.761 8.426 ( -0.000 -0.462 -0.781) 0.908 8.636 ( -0.000 -0.521 -0.328) 0.616 8.768 ( -0.000 -3.496 -2.541) 4.322 8.847 ( -0.000 -14.218 13.872) 19.865 9.129 ( -0.000 1.410 -2.627) 2.982 9.224 ( -0.000 -1.651 -1.033) 1.947 9.251 ( -0.000 0.722 -2.041) 2.165 9.596 ( -0.000 -0.116 -1.017) 1.024 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.000 13.539 16.250) 21.151 0.954 ( 0.000 15.862 15.512) 22.187 1.611 ( 0.000 22.883 28.549) 36.588 2.052 ( -0.000 -4.371 -0.050) 4.372 2.135 ( 0.000 0.795 -0.305) 0.851 2.374 ( -0.000 0.692 -1.695) 1.831 2.405 ( 0.000 1.776 -2.044) 2.708 2.446 ( 0.000 0.281 2.648) 2.663 2.662 ( -0.000 -2.843 -3.098) 4.205 2.754 ( 0.000 0.669 -0.292) 0.730 2.883 ( 0.000 -1.654 4.233) 4.545 2.973 ( 0.000 4.556 -4.362) 6.308 3.253 ( -0.000 -2.549 -3.612) 4.421 3.295 ( -0.000 -1.671 -8.716) 8.874 3.634 ( -0.000 -2.727 -1.535) 3.129 3.761 ( 0.000 -2.202 6.891) 7.235 3.819 ( -0.000 -2.223 0.001) 2.223 3.942 ( 0.000 2.531 1.263) 2.828 5.782 ( -0.000 -2.115 0.499) 2.173 5.802 ( -0.000 -0.713 0.315) 0.779 5.889 ( -0.000 -2.926 -4.441) 5.318 6.047 ( -0.000 0.232 -1.724) 1.739 6.121 ( 0.000 3.344 -0.361) 3.363 6.240 ( -0.000 -2.063 0.657) 2.165 6.292 ( 0.000 4.625 4.920) 6.753 6.361 ( 0.000 1.506 3.717) 4.011 6.381 ( 0.000 1.236 3.632) 3.836 7.032 ( -0.000 -6.644 -2.678) 7.163 7.127 ( -0.000 -1.784 -2.020) 2.695 7.197 ( -0.000 -1.015 -1.270) 1.626 7.648 ( 0.000 6.714 3.959) 7.794 7.800 ( 0.000 3.303 4.589) 5.654 7.925 ( 0.000 10.000 1.840) 10.168 8.178 ( 0.000 1.787 -0.361) 1.823 8.405 ( -0.000 -0.721 -0.610) 0.945 8.625 ( -0.000 -0.395 -0.102) 0.408 8.665 ( -0.000 -2.525 -6.575) 7.043 8.825 ( -0.000 -12.102 9.363) 15.301 9.097 ( -0.000 1.331 -5.108) 5.279 9.181 ( -0.000 -1.802 -1.240) 2.187 9.230 ( -0.000 0.663 -2.211) 2.309 9.571 ( -0.000 -0.645 -1.980) 2.083 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 11.404 14.056) 18.101 1.338 ( 0.000 12.583 12.048) 17.421 1.969 ( -0.000 -4.253 -0.057) 4.253 2.111 ( 0.000 -0.726 6.365) 6.406 2.219 ( 0.000 9.992 5.208) 11.268 2.297 ( -0.000 -2.665 -5.196) 5.840 2.380 ( 0.000 1.264 0.089) 1.267 2.534 ( 0.000 6.350 2.754) 6.922 2.685 ( 0.000 3.724 6.774) 7.730 2.766 ( 0.000 0.759 0.375) 0.846 2.874 ( -0.000 -2.874 -0.156) 2.878 2.989 ( 0.000 3.405 -0.942) 3.533 3.149 ( -0.000 -2.533 -7.379) 7.802 3.233 ( 0.000 2.445 0.551) 2.507 3.547 ( -0.000 -4.622 -3.014) 5.518 3.743 ( -0.000 -5.550 -4.135) 6.921 3.816 ( 0.000 -1.312 4.077) 4.283 3.976 ( 0.000 0.984 0.423) 1.071 5.752 ( -0.000 -2.577 0.059) 2.578 5.766 ( -0.000 -2.881 -1.796) 3.395 5.829 ( -0.000 -0.183 -1.072) 1.087 6.025 ( -0.000 0.115 -1.319) 1.324 6.141 ( -0.000 -0.814 0.148) 0.827 6.224 ( -0.000 -0.504 0.565) 0.757 6.391 ( 0.000 0.110 5.060) 5.061 6.441 ( 0.000 2.360 2.338) 3.322 6.504 ( 0.000 5.914 6.471) 8.767 6.916 ( -0.000 -5.211 -1.532) 5.431 7.063 ( -0.000 -1.049 -4.387) 4.511 7.179 ( -0.000 -0.338 -0.493) 0.598 7.804 ( 0.000 6.364 5.507) 8.416 7.920 ( 0.000 3.832 5.520) 6.720 8.070 ( 0.000 5.437 2.656) 6.051 8.167 ( -0.000 0.375 -3.218) 3.240 8.412 ( 0.000 1.349 1.453) 1.983 8.525 ( -0.000 -2.964 -7.715) 8.265 8.622 ( -0.000 0.719 -1.001) 1.233 8.777 ( -0.000 -10.726 6.532) 12.558 9.027 ( -0.000 -0.506 -5.245) 5.269 9.152 ( -0.000 -0.089 -1.220) 1.223 9.214 ( -0.000 1.040 -1.649) 1.949 9.527 ( -0.000 -1.237 -2.352) 2.657 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 5.724 7.233) 9.224 1.617 ( 0.000 8.096 7.155) 10.805 1.904 ( -0.000 -3.810 0.005) 3.810 2.023 ( -0.000 -5.327 -6.985) 8.785 2.219 ( 0.000 0.030 1.019) 1.019 2.293 ( -0.000 -0.544 -1.420) 1.520 2.501 ( 0.000 5.847 4.180) 7.187 2.619 ( 0.000 2.884 0.196) 2.890 2.681 ( -0.000 -4.592 -4.260) 6.264 2.822 ( 0.000 1.273 2.616) 2.909 2.975 ( 0.000 2.789 4.336) 5.156 2.979 ( -0.000 -2.187 -3.251) 3.918 3.159 ( 0.000 9.849 8.456) 12.981 3.295 ( 0.000 2.959 1.258) 3.215 3.449 ( -0.000 -3.358 -2.097) 3.959 3.543 ( -0.000 -9.496 -8.790) 12.940 3.841 ( 0.000 -0.494 1.366) 1.453 3.986 ( 0.000 0.234 -0.009) 0.234 5.714 ( -0.000 -1.729 -0.277) 1.751 5.726 ( -0.000 -0.555 -0.624) 0.835 5.821 ( -0.000 0.065 -0.302) 0.309 6.017 ( -0.000 0.148 -0.272) 0.310 6.119 ( -0.000 -1.159 -0.200) 1.176 6.234 ( 0.000 0.162 0.470) 0.497 6.452 ( 0.000 -0.312 4.003) 4.015 6.479 ( 0.000 1.145 -0.861) 1.433 6.639 ( 0.000 3.202 2.446) 4.029 6.873 ( 0.000 -2.146 2.800) 3.528 6.985 ( -0.000 -0.250 -5.016) 5.022 7.170 ( -0.000 -0.195 -0.269) 0.332 7.953 ( 0.000 4.939 4.174) 6.467 8.036 ( 0.000 0.260 4.106) 4.115 8.093 ( -0.000 -0.296 -1.285) 1.319 8.157 ( 0.000 1.433 -0.141) 1.440 8.357 ( -0.000 -2.672 -5.927) 6.502 8.514 ( 0.000 3.490 3.881) 5.219 8.600 ( -0.000 0.139 -3.925) 3.927 8.724 ( -0.000 -5.938 3.159) 6.726 8.964 ( -0.000 -0.474 -2.296) 2.344 9.142 ( -0.000 0.241 -0.526) 0.579 9.212 ( 0.000 0.629 -0.548) 0.834 9.485 ( -0.000 -0.778 -1.180) 1.413 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 9.406 9.406 18.268) 22.598 0.814 ( 10.130 10.130 17.754) 22.814 1.440 ( 13.277 13.277 34.644) 39.405 2.088 ( -0.348 -0.348 -0.557) 0.743 2.129 ( -2.022 -2.022 -0.402) 2.888 2.372 ( 0.820 0.820 -1.257) 1.710 2.384 ( 1.846 1.846 -1.399) 2.962 2.451 ( 0.487 0.487 3.111) 3.186 2.660 ( -5.071 -5.071 -3.223) 7.862 2.774 ( 1.935 1.935 -1.341) 3.047 2.895 ( -0.539 -0.539 4.640) 4.702 2.938 ( 2.969 2.969 -4.873) 6.433 3.267 ( -2.067 -2.067 -6.362) 7.002 3.306 ( -0.035 -0.035 -7.950) 7.950 3.655 ( -1.642 -1.642 -0.954) 2.511 3.775 ( -2.384 -2.384 6.224) 7.078 3.853 ( 0.214 0.214 0.304) 0.429 3.909 ( 1.577 1.577 2.217) 3.145 5.796 ( -1.293 -1.293 1.339) 2.266 5.803 ( -1.026 -1.026 1.064) 1.799 5.903 ( -1.864 -1.864 -3.173) 4.125 6.046 ( -0.713 -0.713 -2.390) 2.595 6.096 ( 2.745 2.745 0.454) 3.908 6.233 ( 4.064 4.064 5.096) 7.682 6.268 ( -2.995 -2.995 2.500) 4.918 6.360 ( 1.031 1.031 2.455) 2.856 6.369 ( 0.336 0.336 3.814) 3.844 7.112 ( -2.821 -2.821 -4.044) 5.681 7.115 ( -3.156 -3.156 -0.609) 4.505 7.203 ( -0.103 -0.103 -3.075) 3.078 7.587 ( 2.675 2.675 5.308) 6.518 7.812 ( 3.737 3.737 3.449) 6.310 7.830 ( 5.932 5.932 4.099) 9.337 8.163 ( 1.301 1.301 -0.178) 1.849 8.411 ( -0.281 -0.281 -0.810) 0.902 8.630 ( -0.006 -0.006 -0.431) 0.431 8.680 ( 0.131 0.131 -8.546) 8.548 8.925 ( -5.502 -5.502 5.885) 9.756 9.094 ( -0.449 -0.449 -2.723) 2.796 9.202 ( -0.717 -0.717 -1.834) 2.096 9.217 ( -0.120 -0.120 -2.252) 2.259 9.564 ( -1.845 -1.845 -1.182) 2.865 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 7.143 9.005 16.438) 20.058 1.199 ( 4.451 11.711 14.853) 19.431 2.003 ( 5.616 6.275 11.157) 13.978 2.082 ( 1.080 4.641 7.222) 8.652 2.121 ( -1.858 -1.199 3.533) 4.167 2.343 ( 2.011 -1.455 -4.405) 5.056 2.385 ( 0.159 1.691 -1.801) 2.476 2.497 ( 1.808 -0.851 2.961) 3.572 2.589 ( -5.953 1.719 1.773) 6.445 2.789 ( 3.514 1.739 1.274) 4.123 2.926 ( 2.518 0.388 -3.155) 4.056 2.943 ( -0.279 1.231 1.841) 2.232 3.159 ( -1.612 -0.413 -7.113) 7.305 3.215 ( 0.626 0.436 -3.154) 3.245 3.593 ( -1.491 -3.288 -2.855) 4.603 3.798 ( -0.875 -2.746 0.233) 2.891 3.840 ( 0.867 -1.212 0.079) 1.492 3.956 ( -0.965 0.599 1.896) 2.211 5.780 ( -0.272 -2.616 0.176) 2.636 5.803 ( -1.839 -2.082 1.124) 2.997 5.831 ( -2.619 -3.345 -1.191) 4.412 6.006 ( -2.395 -0.722 -1.586) 2.962 6.147 ( 1.458 1.390 2.141) 2.940 6.248 ( -0.940 -3.563 1.549) 3.997 6.346 ( -2.654 2.056 3.844) 5.104 6.424 ( 0.321 0.204 3.741) 3.761 6.455 ( 2.481 4.327 6.414) 8.125 6.989 ( -0.021 -4.519 -4.099) 6.101 7.066 ( -2.587 -1.833 -2.626) 4.116 7.169 ( -0.943 0.189 -2.335) 2.526 7.729 ( 1.620 5.189 7.036) 8.891 7.909 ( 4.280 2.801 5.040) 7.181 8.000 ( 4.501 8.543 4.215) 10.536 8.162 ( 0.586 1.053 -2.690) 2.947 8.406 ( 0.378 0.142 0.410) 0.576 8.551 ( 0.834 0.028 -10.245) 10.279 8.625 ( 0.519 0.078 -0.451) 0.692 8.901 ( -2.097 -7.444 3.979) 8.697 9.036 ( -0.144 -1.258 -4.049) 4.242 9.163 ( 0.133 -1.135 -1.289) 1.722 9.194 ( -0.695 0.820 -1.794) 2.091 9.517 ( -3.223 -1.671 -2.069) 4.178 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 4.051 6.944 11.627) 14.136 1.516 ( 2.880 8.750 11.176) 14.483 1.974 ( 1.598 -4.126 -1.124) 4.565 2.093 ( -0.732 -3.192 -4.405) 5.489 2.227 ( 0.550 -1.661 -2.555) 3.097 2.287 ( -0.712 0.220 0.481) 0.887 2.442 ( 2.793 5.423 3.542) 7.054 2.552 ( -1.257 4.037 1.270) 4.415 2.681 ( -3.052 1.439 0.639) 3.434 2.840 ( 2.322 -1.642 -3.148) 4.242 2.936 ( 3.182 3.982 6.725) 8.439 3.003 ( 1.748 3.328 4.747) 6.055 3.074 ( 0.817 3.051 -2.033) 3.756 3.246 ( -0.290 2.886 2.159) 3.616 3.499 ( -1.347 -4.428 -2.659) 5.337 3.676 ( 1.249 -7.932 -6.702) 10.459 3.835 ( -0.965 0.567 -1.140) 1.597 3.977 ( -1.378 -0.474 1.270) 1.933 5.736 ( -0.690 -2.354 -1.174) 2.719 5.759 ( -1.083 -4.535 1.497) 4.897 5.813 ( -1.810 -0.748 0.566) 2.039 5.987 ( -4.127 -0.564 -0.056) 4.165 6.161 ( 1.078 -3.240 1.655) 3.795 6.236 ( 0.128 -0.343 0.798) 0.878 6.413 ( -4.143 1.894 2.024) 4.984 6.464 ( -0.893 -0.593 2.245) 2.488 6.603 ( 1.821 3.548 5.424) 6.733 6.910 ( -0.096 -1.966 -0.235) 1.983 6.993 ( 0.329 -1.561 -4.411) 4.691 7.145 ( -3.067 0.390 -1.690) 3.523 7.898 ( 2.275 5.369 6.092) 8.433 8.023 ( 2.668 3.120 5.526) 6.884 8.115 ( 1.141 0.126 -2.046) 2.346 8.142 ( 4.318 4.719 -0.958) 6.468 8.387 ( 1.347 -0.624 -6.929) 7.086 8.464 ( 0.648 3.650 -0.585) 3.752 8.612 ( 1.316 -0.549 -1.251) 1.896 8.838 ( -0.752 -8.499 2.998) 9.043 8.963 ( -0.705 -0.960 -3.475) 3.673 9.146 ( 0.386 -0.390 0.195) 0.582 9.193 ( -0.671 1.097 -0.378) 1.341 9.467 ( -3.946 -1.079 -2.132) 4.613 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 2.487 -1.260 0.097) 2.790 1.696 ( 1.678 -1.033 1.640) 2.564 1.905 ( 2.317 -2.019 -2.787) 4.149 1.987 ( 1.762 0.730 1.966) 2.739 2.217 ( -0.374 0.455 -1.248) 1.380 2.279 ( -0.766 0.025 0.915) 1.194 2.543 ( -0.287 1.749 0.117) 1.776 2.593 ( -3.822 0.670 -0.098) 3.881 2.666 ( 3.525 0.582 0.516) 3.610 2.810 ( -1.844 0.870 -1.181) 2.356 2.957 ( 3.201 2.549 -2.615) 4.856 3.024 ( 2.610 0.443 -0.251) 2.659 3.288 ( 0.834 -3.674 -0.181) 3.772 3.303 ( 0.079 1.301 3.613) 3.840 3.436 ( -0.326 -0.385 0.133) 0.521 3.466 ( 1.546 -1.641 0.465) 2.302 3.820 ( -1.237 1.673 -3.262) 3.869 3.982 ( -1.383 -0.683 0.741) 1.711 5.701 ( -1.145 -0.942 -0.281) 1.510 5.736 ( -0.235 -2.193 1.960) 2.951 5.813 ( -2.047 -0.878 1.131) 2.498 5.985 ( -4.753 -0.499 0.849) 4.854 6.138 ( 1.409 -2.278 1.283) 2.970 6.239 ( 0.057 -0.323 -0.032) 0.329 6.428 ( -2.913 0.537 -2.795) 4.073 6.473 ( -2.529 -1.289 1.282) 3.115 6.672 ( 1.299 -0.309 1.142) 1.757 6.874 ( 0.646 -1.200 -3.770) 4.009 6.972 ( 0.135 1.365 3.269) 3.545 7.138 ( -3.597 0.683 -0.306) 3.674 7.999 ( 2.269 2.130 -1.250) 3.354 8.048 ( 1.064 -2.757 -2.434) 3.829 8.123 ( 3.694 1.338 -0.174) 3.933 8.160 ( 2.245 2.642 -0.440) 3.495 8.335 ( 2.749 2.479 0.798) 3.787 8.523 ( 0.556 4.310 -4.499) 6.255 8.588 ( 1.714 0.119 1.557) 2.319 8.757 ( 0.460 -7.625 1.421) 7.770 8.940 ( -1.464 1.398 0.170) 2.032 9.152 ( 0.525 -0.784 1.700) 1.945 9.207 ( -0.876 0.211 0.829) 1.224 9.445 ( -4.247 0.658 -0.310) 4.309 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 4.467 -10.401 -9.451) 14.746 1.524 ( 2.645 -11.473 -8.528) 14.538 1.917 ( 1.710 4.532 -0.333) 4.856 2.091 ( 0.224 2.153 0.342) 2.192 2.229 ( 0.473 3.469 3.521) 4.965 2.302 ( -1.263 -1.304 1.363) 2.270 2.469 ( 2.674 -4.774 -2.908) 6.197 2.599 ( -4.095 -2.322 0.132) 4.709 2.678 ( -0.772 -3.231 -3.193) 4.608 2.822 ( 4.679 2.660 -0.840) 5.447 2.901 ( 2.225 -5.311 -6.094) 8.384 3.021 ( 1.301 -0.974 0.544) 1.714 3.126 ( 0.216 -0.273 1.206) 1.255 3.267 ( -1.080 -3.880 -1.543) 4.313 3.478 ( -0.885 4.309 2.878) 5.257 3.667 ( 1.337 6.604 6.981) 9.703 3.793 ( -0.659 2.065 -4.331) 4.844 3.978 ( -1.385 -0.741 0.005) 1.571 5.704 ( -1.617 1.501 -0.086) 2.208 5.752 ( -0.342 -0.321 2.804) 2.843 5.818 ( -2.135 -0.649 1.105) 2.490 5.999 ( -4.125 -0.202 2.001) 4.589 6.141 ( 0.811 -0.594 1.813) 2.074 6.226 ( -0.231 -0.499 -0.917) 1.070 6.376 ( -1.774 -0.135 -4.307) 4.660 6.449 ( -2.935 -1.850 -1.911) 3.961 6.603 ( 1.675 -6.011 -4.169) 7.504 6.864 ( 1.497 3.627 0.413) 3.946 7.040 ( -1.368 0.972 3.263) 3.669 7.153 ( -2.157 1.283 0.305) 2.528 7.892 ( 0.725 -5.768 -5.878) 8.267 7.988 ( 2.127 -1.951 -3.606) 4.619 8.118 ( 3.257 0.691 -1.545) 3.671 8.201 ( 4.592 0.283 1.879) 4.969 8.419 ( -0.288 1.036 -0.214) 1.097 8.489 ( 1.756 3.237 1.300) 3.905 8.643 ( 0.274 3.138 0.025) 3.150 8.681 ( 1.212 -2.086 -2.397) 3.401 9.000 ( -0.757 3.217 3.277) 4.654 9.166 ( 0.458 -1.662 2.722) 3.222 9.217 ( -1.226 -0.679 1.279) 1.897 9.476 ( -4.150 1.884 1.800) 4.900 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 7.494 -14.030 -11.232) 19.473 1.202 ( 4.672 -15.019 -11.802) 19.664 1.949 ( 6.350 -14.134 -15.053) 21.603 1.985 ( 0.559 5.747 -0.827) 5.833 2.176 ( -1.032 -8.890 -1.284) 9.041 2.379 ( 0.077 3.561 4.039) 5.386 2.408 ( 2.718 -0.140 1.094) 2.934 2.494 ( 1.162 -5.246 -3.031) 6.169 2.581 ( -6.805 -0.345 -0.703) 6.850 2.804 ( 3.863 -0.909 0.337) 3.983 2.869 ( 1.382 1.379 -2.354) 3.058 3.037 ( 1.582 -2.291 4.045) 4.910 3.214 ( -1.795 0.138 0.390) 1.842 3.239 ( -1.611 5.222 5.449) 7.717 3.582 ( -0.701 4.267 2.767) 5.134 3.729 ( -1.346 1.014 -4.919) 5.200 3.804 ( 2.365 2.961 0.534) 3.827 3.960 ( -1.240 -1.239 -0.713) 1.892 5.730 ( -2.268 2.564 -0.478) 3.456 5.783 ( -2.238 0.074 0.406) 2.275 5.846 ( -1.040 1.764 3.321) 3.902 6.035 ( -2.407 -0.092 3.240) 4.037 6.161 ( 0.403 -1.262 2.541) 2.866 6.205 ( -1.892 0.204 -1.585) 2.477 6.321 ( -0.507 -0.784 -2.761) 2.915 6.382 ( -1.792 -1.608 -3.850) 4.541 6.449 ( 3.199 -6.063 -4.530) 8.217 6.953 ( 0.899 5.442 2.699) 6.141 7.085 ( -2.651 1.123 1.492) 3.243 7.174 ( -0.571 1.841 -0.321) 1.954 7.732 ( -0.851 -7.069 -4.315) 8.325 7.905 ( 5.850 -3.840 -2.417) 7.403 8.069 ( 3.559 -5.570 -1.032) 6.690 8.208 ( 1.630 -1.983 0.621) 2.641 8.398 ( 0.578 0.898 -0.506) 1.182 8.611 ( 1.037 5.846 1.454) 6.113 8.630 ( 0.996 0.089 -0.912) 1.353 8.677 ( -0.985 6.340 -4.714) 7.962 9.096 ( 0.180 3.355 3.624) 4.941 9.180 ( 0.541 -1.945 2.888) 3.523 9.228 ( -1.409 -0.570 1.708) 2.286 9.527 ( -4.182 1.350 2.012) 4.833 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 12.141 -15.990 -9.352) 22.148 0.811 ( 8.378 -17.645 -11.958) 22.903 1.368 ( 14.078 -30.348 -17.618) 37.809 2.060 ( 0.642 4.720 0.189) 4.767 2.121 ( -2.574 -0.671 0.164) 2.665 2.394 ( 1.448 -0.582 0.321) 1.594 2.422 ( 1.089 -0.522 -1.850) 2.209 2.442 ( 1.410 -3.531 1.336) 4.030 2.630 ( -7.726 4.699 1.980) 9.257 2.811 ( 4.050 -0.250 1.299) 4.261 2.841 ( 0.773 0.042 -2.308) 2.434 3.032 ( 1.208 -3.454 2.296) 4.319 3.277 ( -2.197 5.020 1.972) 5.824 3.398 ( -2.417 3.621 7.955) 9.068 3.633 ( 0.215 1.408 -3.368) 3.657 3.654 ( -0.927 -0.588 -4.456) 4.589 3.832 ( 1.529 2.279 -0.391) 2.773 3.923 ( -0.220 -2.575 -0.886) 2.732 5.756 ( -2.168 2.273 -0.611) 3.200 5.775 ( -3.163 0.112 -0.833) 3.273 5.939 ( -1.806 3.462 3.543) 5.273 6.069 ( 0.348 -0.174 1.803) 1.845 6.152 ( 1.556 -4.596 0.919) 4.939 6.201 ( -3.634 2.472 -1.519) 4.650 6.291 ( 0.931 -2.721 3.884) 4.833 6.321 ( -0.224 -0.030 -2.827) 2.836 6.354 ( 2.325 -2.169 -1.377) 3.465 7.063 ( -0.455 5.110 1.920) 5.477 7.116 ( -2.711 1.882 0.396) 3.324 7.205 ( -0.917 3.129 0.387) 3.284 7.591 ( -1.225 -6.380 -2.519) 6.968 7.828 ( 9.144 -3.542 -1.094) 9.867 7.950 ( 3.107 -12.091 1.644) 12.592 8.176 ( 0.518 -1.545 -1.147) 1.993 8.420 ( 1.014 1.093 0.701) 1.648 8.618 ( 0.705 5.735 -5.594) 8.042 8.644 ( -1.074 4.558 -6.637) 8.123 8.744 ( -1.288 3.598 2.489) 4.560 9.170 ( 1.171 -0.849 3.180) 3.493 9.195 ( 0.208 1.486 0.858) 1.729 9.248 ( -1.175 -0.269 1.878) 2.232 9.561 ( -4.090 0.607 1.006) 4.255 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 16.540 -16.540 -0.000) 23.391 0.471 ( 16.894 -16.894 -0.000) 23.891 0.793 ( 28.575 -28.575 -0.000) 40.412 2.093 ( -0.622 0.622 0.000) 0.879 2.147 ( -2.690 2.690 0.000) 3.805 2.387 ( 0.602 -0.602 -0.000) 0.851 2.402 ( 2.390 -2.390 -0.000) 3.379 2.403 ( 0.795 -0.795 -0.000) 1.124 2.706 ( -4.109 4.109 0.000) 5.811 2.814 ( 1.722 -1.722 -0.000) 2.435 2.821 ( 0.107 -0.107 -0.000) 0.151 3.032 ( -0.330 0.330 0.000) 0.467 3.358 ( -3.847 3.847 0.000) 5.441 3.489 ( 3.520 -3.520 -0.000) 4.978 3.597 ( -5.913 5.913 0.000) 8.363 3.606 ( 2.434 -2.434 -0.000) 3.442 3.861 ( -1.084 1.084 0.000) 1.532 3.875 ( 2.673 -2.673 -0.000) 3.780 5.777 ( -1.480 1.480 0.000) 2.093 5.777 ( -1.330 1.330 0.000) 1.880 6.001 ( -2.142 2.142 0.000) 3.029 6.087 ( 3.166 -3.166 -0.000) 4.477 6.091 ( -0.271 0.271 0.000) 0.383 6.229 ( -2.715 2.715 0.000) 3.840 6.303 ( -0.148 0.148 0.000) 0.209 6.315 ( 1.033 -1.033 -0.000) 1.461 6.359 ( -0.431 0.431 0.000) 0.610 7.125 ( -2.571 2.571 0.000) 3.636 7.149 ( -1.874 1.874 0.000) 2.651 7.261 ( -3.158 3.158 0.000) 4.466 7.513 ( 1.542 -1.542 -0.000) 2.181 7.779 ( 5.808 -5.808 -0.000) 8.214 7.805 ( 7.527 -7.527 -0.000) 10.645 8.148 ( 1.140 -1.140 -0.000) 1.612 8.434 ( 0.104 -0.104 -0.000) 0.146 8.599 ( -2.949 2.949 0.000) 4.171 8.635 ( -0.397 0.397 0.000) 0.561 8.800 ( -1.775 1.775 0.000) 2.510 9.166 ( 1.841 -1.841 -0.000) 2.604 9.229 ( -1.072 1.072 0.000) 1.516 9.264 ( -0.340 0.340 0.000) 0.481 9.579 ( -1.724 1.724 0.000) 2.438 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 6.112 6.112 10.747) 13.792 1.472 ( 6.754 6.754 14.744) 17.567 2.037 ( -0.443 -0.443 -3.379) 3.436 2.074 ( -0.670 -0.670 0.264) 0.983 2.273 ( -0.035 -0.035 3.429) 3.429 2.278 ( -1.435 -1.435 -6.476) 6.786 2.406 ( 4.206 4.206 1.557) 6.148 2.525 ( -0.679 -0.679 1.523) 1.800 2.632 ( 2.156 2.156 4.338) 5.302 2.871 ( -0.764 -0.764 -6.058) 6.153 2.950 ( 5.825 5.825 14.892) 17.019 2.973 ( 2.568 2.568 0.163) 3.635 3.061 ( 0.560 0.560 -6.032) 6.084 3.225 ( 1.159 1.159 2.470) 2.964 3.521 ( -3.132 -3.132 -2.768) 5.223 3.764 ( -1.957 -1.957 -3.629) 4.564 3.803 ( -0.459 -0.459 -4.781) 4.825 3.969 ( -1.609 -1.609 2.409) 3.314 5.753 ( -2.393 -2.393 -1.532) 3.715 5.793 ( -1.767 -1.767 1.337) 2.834 5.799 ( -3.529 -3.529 2.292) 5.492 5.953 ( -3.041 -3.041 -0.244) 4.307 6.199 ( 0.247 0.247 2.663) 2.686 6.251 ( -2.422 -2.422 1.848) 3.892 6.347 ( -0.645 -0.645 1.162) 1.477 6.462 ( -1.270 -1.270 2.662) 3.212 6.592 ( 2.881 2.881 6.836) 7.958 6.918 ( -0.290 -0.290 -4.738) 4.756 7.023 ( -1.886 -1.886 0.450) 2.704 7.106 ( -1.304 -1.304 -4.175) 4.564 7.875 ( 4.402 4.402 7.498) 9.746 8.024 ( 3.351 3.351 3.882) 6.126 8.126 ( 0.437 0.437 -3.101) 3.162 8.131 ( 6.737 6.737 1.354) 9.623 8.418 ( 0.640 0.640 0.016) 0.905 8.430 ( 2.405 2.405 -9.258) 9.863 8.629 ( 0.714 0.714 -0.057) 1.011 8.886 ( -3.170 -3.170 -0.308) 4.493 8.977 ( -2.660 -2.660 -1.792) 4.167 9.155 ( 0.049 0.049 0.142) 0.158 9.178 ( 0.308 0.308 0.034) 0.437 9.438 ( -3.711 -3.711 -2.269) 5.718 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.839 2.885 4.209) 5.839 1.716 ( 3.469 2.644 8.843) 9.860 1.966 ( 1.817 -1.383 -2.946) 3.727 2.045 ( 1.451 -3.083 -2.235) 4.075 2.192 ( -0.604 1.195 -3.285) 3.547 2.279 ( -0.730 -0.945 0.323) 1.237 2.481 ( -0.749 3.362 1.286) 3.677 2.545 ( -2.434 -0.117 1.155) 2.697 2.698 ( 3.898 3.078 0.768) 5.026 2.791 ( 0.642 0.625 -3.697) 3.804 2.981 ( 3.936 1.167 -3.372) 5.313 3.024 ( 1.176 3.315 -1.973) 4.033 3.278 ( 3.086 4.437 12.252) 13.391 3.284 ( 1.039 2.415 6.244) 6.775 3.446 ( -1.539 -2.425 -1.120) 3.083 3.601 ( 2.482 -9.119 -7.605) 12.130 3.751 ( -4.347 2.958 -5.779) 7.813 3.974 ( -1.878 -1.520 1.362) 2.774 5.703 ( -2.407 -2.603 -0.411) 3.569 5.773 ( -0.629 -3.277 1.740) 3.763 5.796 ( -2.768 -1.750 1.767) 3.721 5.925 ( -5.825 -2.332 1.562) 6.466 6.202 ( 1.088 -3.433 1.354) 3.848 6.241 ( -0.928 -0.953 0.451) 1.404 6.364 ( -3.870 0.786 -0.059) 3.950 6.460 ( -2.862 -2.249 0.627) 3.693 6.693 ( 2.230 0.853 3.828) 4.512 6.880 ( 0.175 1.335 -2.561) 2.894 6.990 ( 1.565 -2.858 -0.175) 3.263 7.065 ( -4.717 1.164 -0.482) 4.882 8.005 ( 4.257 3.229 0.507) 5.367 8.069 ( 1.352 2.908 -5.144) 6.061 8.132 ( 2.698 1.233 3.983) 4.967 8.174 ( 3.244 2.943 -1.867) 4.762 8.374 ( 6.437 1.173 -2.375) 6.961 8.453 ( 0.519 6.158 -2.657) 6.726 8.635 ( 2.621 -0.681 0.558) 2.765 8.834 ( -2.336 -2.901 -0.380) 3.744 8.920 ( -1.966 -3.440 0.149) 3.965 9.172 ( 0.833 -0.154 2.305) 2.456 9.196 ( 0.078 -0.007 1.632) 1.634 9.370 ( -6.242 -1.581 -1.590) 6.633 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.755 -5.318 -4.061) 7.673 1.697 ( 2.125 -7.502 -4.291) 8.900 1.915 ( 3.781 0.051 -2.981) 4.815 2.069 ( 1.529 2.855 4.339) 5.414 2.187 ( -0.569 2.894 -1.834) 3.473 2.291 ( -1.540 -0.076 2.596) 3.019 2.507 ( -1.987 -0.472 -0.413) 2.083 2.548 ( -2.691 -0.365 0.014) 2.716 2.737 ( 4.478 0.325 0.869) 4.573 2.816 ( 2.294 4.154 1.674) 5.032 2.956 ( 3.195 2.058 -3.960) 5.489 3.044 ( 1.365 2.490 -1.205) 3.085 3.235 ( 2.475 -10.431 -7.564) 13.121 3.322 ( 0.461 -5.810 -0.006) 5.828 3.420 ( -1.522 0.804 0.847) 1.919 3.606 ( 2.479 6.164 8.382) 10.696 3.724 ( -3.751 4.029 -4.597) 7.172 3.967 ( -1.870 -1.130 0.243) 2.198 5.674 ( -2.573 -1.241 0.080) 2.858 5.759 ( -1.317 -1.849 1.210) 2.573 5.798 ( -2.416 -1.733 2.048) 3.610 5.932 ( -5.959 -0.858 2.807) 6.643 6.176 ( 0.718 -2.515 1.337) 2.937 6.225 ( -1.277 -0.949 -1.030) 1.895 6.349 ( -2.683 -0.337 -2.191) 3.481 6.425 ( -4.032 -2.107 -1.323) 4.737 6.704 ( 2.894 -4.086 -0.318) 5.017 6.858 ( 2.070 1.450 -0.854) 2.667 7.002 ( -1.451 1.588 1.610) 2.686 7.095 ( -3.091 1.401 1.501) 3.711 7.963 ( 1.601 -1.663 -6.872) 7.249 8.008 ( 0.670 0.600 -3.976) 4.076 8.174 ( 5.798 1.409 -1.472) 6.146 8.244 ( 4.826 3.164 3.270) 6.633 8.399 ( 2.042 2.324 0.969) 3.242 8.468 ( 2.655 5.006 -4.716) 7.372 8.631 ( 2.838 -0.392 -0.034) 2.865 8.781 ( 0.418 -6.728 1.420) 6.889 8.926 ( -2.306 3.284 1.457) 4.270 9.200 ( -1.026 -2.222 1.722) 2.993 9.207 ( 0.285 -0.436 2.612) 2.664 9.374 ( -6.387 1.926 1.559) 6.851 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 7.596 -11.170 -7.212) 15.313 1.469 ( 6.237 -12.573 -7.936) 16.123 1.917 ( 0.253 4.638 -2.378) 5.218 2.085 ( 2.984 -1.017 -2.241) 3.868 2.271 ( -3.067 5.713 2.858) 7.086 2.305 ( -0.975 -4.286 1.417) 4.618 2.491 ( 2.773 -1.375 -0.063) 3.096 2.524 ( -2.176 -1.831 -1.209) 3.090 2.659 ( 5.788 -11.699 -4.688) 13.869 2.865 ( 3.587 0.297 -1.626) 3.950 2.890 ( 2.578 -1.901 -1.055) 3.373 3.053 ( 1.126 2.192 1.500) 2.885 3.124 ( -2.771 5.062 0.036) 5.771 3.242 ( 0.136 -5.526 -0.181) 5.531 3.503 ( -1.150 5.351 2.647) 6.079 3.676 ( -4.092 2.454 -3.771) 6.082 3.792 ( 2.726 3.915 2.929) 5.598 3.949 ( -1.974 -0.910 -0.599) 2.254 5.670 ( -2.971 0.578 -0.123) 3.029 5.743 ( -4.650 -1.356 -0.466) 4.866 5.819 ( -0.307 0.541 2.556) 2.631 5.978 ( -4.814 0.852 3.633) 6.091 6.166 ( -1.843 -1.922 0.300) 2.679 6.196 ( -0.758 -0.827 0.017) 1.122 6.317 ( -0.812 -0.022 -1.732) 1.913 6.368 ( -3.093 -1.448 -3.118) 4.625 6.598 ( 4.953 -7.165 -2.170) 8.976 6.912 ( 1.882 3.676 2.490) 4.823 7.036 ( -2.447 0.729 0.920) 2.714 7.131 ( -1.455 2.328 -0.219) 2.754 7.822 ( 0.800 -5.765 -5.381) 7.927 7.987 ( 0.744 0.006 -0.242) 0.783 8.155 ( 6.992 1.181 -3.097) 7.738 8.286 ( 3.614 -1.146 -1.126) 3.955 8.393 ( 2.266 1.769 -0.881) 3.007 8.553 ( 1.684 5.918 2.377) 6.596 8.606 ( 1.043 0.211 -3.426) 3.588 8.706 ( 1.614 -5.987 1.028) 6.285 9.018 ( -1.378 6.384 1.292) 6.658 9.191 ( -3.982 -1.034 0.828) 4.196 9.238 ( 1.615 -1.761 3.897) 4.572 9.434 ( -5.478 2.018 2.391) 6.309 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 11.789 -13.678 -5.518) 18.882 1.166 ( 10.134 -15.303 -7.525) 19.837 1.896 ( 7.606 -10.186 -6.714) 14.376 2.018 ( 6.919 -0.085 -1.384) 7.057 2.145 ( -0.877 -9.814 -1.123) 9.917 2.390 ( -2.756 6.553 0.417) 7.121 2.447 ( 0.499 -0.833 -1.162) 1.514 2.486 ( -1.470 -2.266 0.040) 2.701 2.521 ( 2.015 -4.279 1.230) 4.887 2.858 ( 2.175 -0.590 -0.807) 2.394 2.866 ( 2.181 -0.397 0.366) 2.247 3.110 ( 2.146 -2.489 1.827) 3.760 3.180 ( -2.734 3.588 -0.396) 4.528 3.261 ( -4.571 6.352 3.861) 8.727 3.599 ( -0.302 4.453 -0.112) 4.464 3.647 ( -2.720 -0.205 -1.848) 3.294 3.834 ( 2.047 0.902 -0.814) 2.380 3.933 ( -1.230 -0.624 -0.197) 1.393 5.685 ( -3.186 2.118 -0.460) 3.853 5.720 ( -4.731 -0.183 -0.822) 4.805 5.876 ( -0.693 2.941 1.863) 3.550 6.045 ( -3.579 1.664 3.266) 5.123 6.127 ( -2.934 -0.525 -2.097) 3.644 6.211 ( 0.215 -1.407 2.552) 2.921 6.301 ( -0.360 0.535 -1.205) 1.366 6.314 ( -1.355 -0.486 -2.262) 2.681 6.478 ( 6.344 -6.903 -0.608) 9.395 7.003 ( 0.852 4.029 2.374) 4.754 7.054 ( -3.089 0.960 0.536) 3.279 7.153 ( -1.169 2.539 -1.120) 3.012 7.678 ( 1.030 -6.319 -3.124) 7.124 7.984 ( 4.863 -2.468 1.592) 5.680 8.128 ( 5.750 -2.355 -0.313) 6.222 8.210 ( 0.490 -4.530 -2.207) 5.063 8.430 ( 3.843 2.037 0.699) 4.405 8.537 ( 0.371 2.297 -6.424) 6.832 8.651 ( 1.107 -2.033 -0.167) 2.321 8.672 ( -1.259 3.855 2.208) 4.617 9.117 ( -0.664 6.046 0.484) 6.102 9.193 ( -4.172 -0.433 0.806) 4.271 9.262 ( 1.993 -1.849 3.054) 4.089 9.482 ( -4.876 1.431 1.241) 5.231 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 15.152 -15.152 -0.000) 21.428 0.906 ( 14.884 -14.884 -0.000) 21.049 1.532 ( 25.086 -25.086 -0.000) 35.477 2.061 ( -3.045 3.045 0.000) 4.306 2.085 ( 0.211 -0.211 -0.000) 0.299 2.422 ( 0.430 -0.430 -0.000) 0.608 2.425 ( 2.379 -2.379 -0.000) 3.365 2.476 ( 2.097 -2.097 -0.000) 2.966 2.539 ( -6.767 6.767 0.000) 9.571 2.836 ( 1.013 -1.013 -0.000) 1.433 2.863 ( 1.631 -1.631 -0.000) 2.306 3.070 ( 2.850 -2.850 -0.000) 4.030 3.245 ( -4.260 4.260 0.000) 6.025 3.397 ( -7.314 7.314 0.000) 10.343 3.585 ( 1.589 -1.589 -0.000) 2.248 3.650 ( 0.290 -0.290 -0.000) 0.409 3.834 ( -0.462 0.462 0.000) 0.653 3.922 ( 0.741 -0.741 -0.000) 1.047 5.715 ( -2.837 2.837 0.000) 4.012 5.727 ( -2.204 2.204 0.000) 3.117 5.931 ( -2.649 2.649 0.000) 3.747 6.087 ( -0.039 0.039 0.000) 0.055 6.131 ( -4.171 4.171 0.000) 5.898 6.192 ( 3.365 -3.365 -0.000) 4.759 6.293 ( -0.520 0.520 0.000) 0.736 6.315 ( -1.107 1.107 0.000) 1.566 6.401 ( 4.366 -4.366 -0.000) 6.175 7.059 ( -1.923 1.923 0.000) 2.719 7.087 ( -2.505 2.505 0.000) 3.543 7.180 ( -2.589 2.589 0.000) 3.661 7.584 ( 3.484 -3.484 -0.000) 4.927 7.948 ( 5.788 -5.788 -0.000) 8.186 8.037 ( 8.823 -8.823 -0.000) 12.478 8.166 ( -0.087 0.087 0.000) 0.123 8.449 ( 1.161 -1.161 -0.000) 1.642 8.512 ( -2.816 2.816 0.000) 3.982 8.631 ( 0.353 -0.353 -0.000) 0.499 8.736 ( -2.725 2.725 0.000) 3.853 9.184 ( -2.326 2.326 0.000) 3.289 9.198 ( -0.658 0.658 0.000) 0.930 9.264 ( 1.131 -1.131 -0.000) 1.599 9.516 ( -2.779 2.779 0.000) 3.930 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.727 0.727 -0.213) 1.050 1.756 ( -1.950 -1.950 -3.270) 4.278 2.006 ( 1.647 1.647 1.209) 2.624 2.023 ( -0.146 -0.146 -3.960) 3.965 2.152 ( 2.647 2.647 -0.392) 3.764 2.276 ( -1.286 -1.286 1.262) 2.213 2.509 ( 0.097 0.097 3.123) 3.126 2.513 ( -2.200 -2.200 0.264) 3.122 2.779 ( 4.748 4.748 1.401) 6.860 2.791 ( 3.013 3.013 -0.453) 4.285 2.964 ( 2.532 2.532 -4.175) 5.500 3.028 ( 1.600 1.600 -1.541) 2.738 3.321 ( 1.254 1.254 0.974) 2.023 3.355 ( -3.429 -3.429 -0.643) 4.892 3.515 ( -4.145 -4.145 -6.575) 8.808 3.530 ( 1.131 1.131 1.114) 1.949 3.635 ( 2.548 2.548 2.465) 4.366 3.962 ( -1.591 -1.591 0.327) 2.273 5.666 ( -2.699 -2.699 0.223) 3.824 5.759 ( -2.195 -2.195 -0.930) 3.241 5.804 ( -1.912 -1.912 3.631) 4.527 5.887 ( -4.042 -4.042 3.170) 6.536 6.208 ( -0.888 -0.888 -0.938) 1.568 6.219 ( -1.934 -1.934 -0.201) 2.743 6.327 ( -1.764 -1.764 -0.000) 2.495 6.410 ( -3.227 -3.227 -1.386) 4.769 6.766 ( 1.197 1.197 3.076) 3.511 6.860 ( 0.381 0.381 -2.130) 2.197 6.975 ( 0.179 0.179 -0.125) 0.282 7.058 ( -0.779 -0.779 2.556) 2.783 7.982 ( 1.568 1.568 -6.981) 7.325 8.008 ( 1.136 1.136 -5.787) 6.006 8.209 ( 2.567 2.567 1.355) 3.875 8.250 ( 3.827 3.827 3.216) 6.296 8.411 ( 1.816 1.816 -1.129) 2.806 8.439 ( 5.682 5.682 -4.684) 9.300 8.683 ( 1.458 1.458 1.401) 2.492 8.797 ( -0.475 -0.475 -0.795) 1.041 8.908 ( -2.914 -2.914 2.653) 4.901 9.193 ( -1.729 -1.729 -0.671) 2.536 9.244 ( 0.149 0.149 3.986) 3.991 9.288 ( -2.943 -2.943 2.060) 4.643 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 4.347 -6.088 -3.958) 8.464 1.663 ( 1.366 -4.499 -3.960) 6.147 1.901 ( 3.167 -1.985 -5.346) 6.523 2.047 ( -5.699 5.544 -3.839) 8.829 2.211 ( 2.962 -0.234 2.946) 4.184 2.300 ( -2.773 0.815 2.757) 3.995 2.510 ( 0.899 -0.773 2.080) 2.394 2.551 ( 0.537 -0.401 2.456) 2.545 2.810 ( 4.352 -0.773 0.830) 4.497 2.868 ( 1.074 3.772 1.256) 4.118 2.951 ( 3.799 2.843 -3.332) 5.798 3.020 ( -0.776 2.348 -2.647) 3.622 3.185 ( 5.955 -11.429 -7.188) 14.757 3.341 ( 0.934 -5.426 0.561) 5.535 3.403 ( -2.502 4.608 -0.216) 5.248 3.536 ( -8.902 4.029 -3.233) 10.292 3.778 ( 3.422 3.993 5.342) 7.496 3.940 ( -1.620 -1.283 -0.614) 2.156 5.639 ( -2.739 -1.654 0.222) 3.207 5.705 ( -4.347 -2.621 -1.521) 5.300 5.826 ( 0.116 -1.585 3.038) 3.428 5.902 ( -4.602 -0.077 2.786) 5.380 6.175 ( -1.210 -2.197 -0.729) 2.612 6.192 ( -1.695 -1.050 0.175) 2.002 6.305 ( -1.292 -0.673 -0.809) 1.666 6.347 ( -2.884 -1.786 -2.580) 4.262 6.761 ( 5.320 -5.582 0.567) 7.732 6.876 ( -1.335 3.556 1.373) 4.038 7.009 ( 0.692 1.260 1.410) 2.014 7.079 ( -1.751 1.241 0.404) 2.184 7.898 ( 1.749 -2.642 -5.076) 5.983 7.959 ( -1.403 1.840 -2.785) 3.621 8.223 ( 5.262 2.034 -3.088) 6.431 8.296 ( 1.512 2.928 -3.952) 5.145 8.432 ( 4.695 0.781 1.689) 5.051 8.493 ( 1.366 5.486 1.838) 5.945 8.681 ( 5.553 -2.765 -0.432) 6.218 8.801 ( -0.493 -1.752 1.007) 2.080 8.919 ( -1.358 1.712 1.349) 2.568 9.129 ( -6.661 -1.768 -2.241) 7.247 9.286 ( 1.781 -1.597 4.307) 4.927 9.344 ( -3.321 1.797 3.653) 5.254 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 8.381 -9.658 -3.442) 13.242 1.486 ( 8.715 -11.669 -4.532) 15.253 1.866 ( -1.913 3.720 -2.531) 4.889 2.074 ( -3.121 4.185 -2.100) 5.627 2.243 ( -1.474 2.246 1.062) 2.889 2.332 ( -0.320 -3.032 2.638) 4.032 2.486 ( 3.111 -4.256 -1.764) 5.559 2.578 ( 3.220 -1.007 2.271) 4.067 2.709 ( 9.929 -12.676 -3.240) 16.425 2.890 ( 2.074 0.229 -0.407) 2.126 2.911 ( 2.342 -2.948 -0.923) 3.876 3.045 ( -5.012 5.612 0.102) 7.525 3.081 ( -0.747 3.942 -1.044) 4.146 3.279 ( 3.448 -5.434 1.616) 6.635 3.488 ( -4.112 8.475 -2.417) 9.725 3.562 ( -6.525 2.528 0.672) 7.029 3.855 ( 2.301 0.748 0.720) 2.524 3.919 ( -1.313 -0.232 -0.098) 1.337 5.628 ( -2.580 0.136 -0.234) 2.594 5.661 ( -4.529 -0.821 -0.966) 4.703 5.847 ( 0.105 0.441 1.310) 1.386 5.950 ( -4.651 2.417 1.608) 5.482 6.131 ( -0.685 -2.677 -0.253) 2.775 6.206 ( -1.568 0.341 1.985) 2.552 6.287 ( -0.603 0.259 -1.499) 1.636 6.298 ( -1.491 -0.293 -2.211) 2.683 6.677 ( 7.145 -7.454 0.540) 10.339 6.954 ( -1.508 3.726 2.078) 4.525 7.026 ( 0.210 -0.124 0.510) 0.565 7.102 ( -1.415 2.343 -1.031) 2.925 7.782 ( 2.502 -5.267 -3.234) 6.668 7.984 ( -2.991 2.443 1.360) 4.095 8.202 ( 5.027 1.084 -3.276) 6.098 8.256 ( 0.894 0.859 -3.739) 3.939 8.479 ( 4.644 0.360 2.855) 5.464 8.579 ( 1.740 0.749 0.005) 1.894 8.620 ( 3.420 -1.453 -0.284) 3.727 8.742 ( 2.318 -6.819 0.592) 7.227 9.000 ( -1.981 8.076 -0.442) 8.327 9.106 ( -8.118 0.605 -0.341) 8.148 9.315 ( 1.944 -1.519 2.809) 3.739 9.406 ( -3.104 1.448 1.959) 3.945 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 11.586 -11.586 -0.000) 16.385 1.275 ( 13.005 -13.005 -0.000) 18.392 1.895 ( -1.894 1.894 0.000) 2.679 2.095 ( -0.394 0.394 0.000) 0.557 2.209 ( 15.382 -15.382 -0.000) 21.754 2.315 ( -6.787 6.787 0.000) 9.599 2.423 ( 0.271 -0.271 -0.000) 0.383 2.541 ( 7.200 -7.200 -0.000) 10.183 2.569 ( 2.845 -2.845 -0.000) 4.023 2.872 ( 1.526 -1.526 -0.000) 2.158 2.895 ( 0.746 -0.746 -0.000) 1.055 3.119 ( -3.118 3.118 0.000) 4.410 3.134 ( -3.809 3.809 0.000) 5.387 3.248 ( 0.283 -0.283 -0.000) 0.400 3.555 ( -4.340 4.340 0.000) 6.138 3.612 ( -2.904 2.904 0.000) 4.107 3.845 ( 1.095 -1.095 -0.000) 1.549 3.924 ( -0.332 0.332 0.000) 0.469 5.641 ( -2.278 2.278 0.000) 3.221 5.665 ( -2.242 2.242 0.000) 3.171 5.872 ( -1.496 1.496 0.000) 2.115 6.008 ( -4.305 4.305 0.000) 6.088 6.103 ( 0.975 -0.975 -0.000) 1.379 6.232 ( -0.308 0.308 0.000) 0.436 6.278 ( -0.492 0.492 0.000) 0.695 6.285 ( -0.851 0.851 0.000) 1.204 6.577 ( 7.689 -7.689 -0.000) 10.874 7.017 ( -2.758 2.758 0.000) 3.901 7.030 ( -0.202 0.202 0.000) 0.286 7.120 ( -1.900 1.900 0.000) 2.687 7.690 ( 4.176 -4.176 -0.000) 5.906 8.029 ( -1.011 1.011 0.000) 1.429 8.170 ( 1.354 -1.354 -0.000) 1.915 8.222 ( 3.276 -3.276 -0.000) 4.632 8.496 ( 1.956 -1.956 -0.000) 2.767 8.505 ( 3.750 -3.750 -0.000) 5.303 8.661 ( -2.604 2.604 0.000) 3.683 8.674 ( 3.134 -3.134 -0.000) 4.433 9.094 ( -4.432 4.432 0.000) 6.268 9.129 ( -3.929 3.929 0.000) 5.557 9.313 ( 1.871 -1.871 -0.000) 2.646 9.442 ( -2.377 2.377 0.000) 3.361 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.418 -0.418 -2.229) 2.306 1.614 ( -0.414 -0.414 -1.943) 2.030 1.888 ( 0.065 0.065 -3.759) 3.761 1.898 ( -0.613 -0.613 -4.232) 4.320 2.282 ( 0.159 0.159 2.067) 2.079 2.291 ( -0.676 -0.676 1.352) 1.656 2.574 ( 1.169 1.169 2.860) 3.304 2.589 ( 0.088 0.088 1.878) 1.882 2.868 ( 0.658 0.658 0.749) 1.195 2.873 ( 0.172 0.172 0.371) 0.444 2.967 ( 2.612 2.612 -1.813) 4.115 2.976 ( 1.267 1.267 -2.674) 3.219 3.206 ( -0.996 -0.996 -3.432) 3.709 3.225 ( -1.576 -1.576 -4.847) 5.335 3.422 ( -0.127 -0.127 2.194) 2.201 3.442 ( -1.161 -1.161 0.445) 1.702 3.868 ( 1.920 1.920 2.270) 3.539 3.910 ( -1.028 -1.028 -0.841) 1.680 5.612 ( -1.422 -1.422 0.116) 2.014 5.632 ( -2.741 -2.741 -1.329) 4.097 5.865 ( -0.163 -0.163 1.745) 1.760 5.880 ( -1.225 -1.225 0.698) 1.868 6.166 ( -0.793 -0.793 0.723) 1.334 6.172 ( -1.388 -1.388 0.799) 2.120 6.281 ( -0.316 -0.316 -1.159) 1.242 6.289 ( -0.817 -0.817 -2.036) 2.341 6.849 ( 0.238 0.238 1.058) 1.110 6.850 ( 0.153 0.153 1.399) 1.416 7.045 ( 1.110 1.110 0.690) 1.714 7.061 ( -0.066 -0.066 -0.531) 0.540 7.884 ( -0.270 -0.270 -1.290) 1.345 7.891 ( -0.762 -0.762 -1.889) 2.175 8.230 ( 2.315 2.315 -2.808) 4.313 8.248 ( 1.245 1.245 -4.278) 4.626 8.526 ( 2.283 2.283 2.770) 4.254 8.538 ( 1.686 1.686 2.156) 3.214 8.760 ( 1.962 1.962 0.995) 2.947 8.789 ( 0.955 0.955 -0.851) 1.596 8.928 ( -0.898 -0.898 1.491) 1.959 8.998 ( -4.566 -4.566 -3.171) 7.194 9.355 ( 0.119 0.119 2.651) 2.657 9.360 ( -0.237 -0.237 2.338) 2.362 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 7.088 -7.088 -0.000) 10.025 1.569 ( 6.714 -6.714 -0.000) 9.495 1.821 ( -0.708 0.708 0.000) 1.001 1.967 ( -8.095 8.095 0.000) 11.448 2.262 ( 2.026 -2.026 -0.000) 2.865 2.332 ( -2.156 2.156 0.000) 3.049 2.546 ( 5.436 -5.436 -0.000) 7.688 2.620 ( 0.203 -0.203 -0.000) 0.287 2.823 ( 7.008 -7.008 -0.000) 9.911 2.902 ( -0.541 0.541 0.000) 0.765 2.944 ( 4.581 -4.581 -0.000) 6.479 2.980 ( -2.930 2.930 0.000) 4.144 3.068 ( 1.796 -1.796 -0.000) 2.541 3.323 ( -6.328 6.328 0.000) 8.950 3.380 ( 0.709 -0.709 -0.000) 1.003 3.506 ( -4.692 4.692 0.000) 6.635 3.880 ( 1.261 -1.261 -0.000) 1.784 3.909 ( -0.831 0.831 0.000) 1.175 5.602 ( -0.472 0.472 0.000) 0.667 5.615 ( -1.287 1.287 0.000) 1.821 5.859 ( 0.632 -0.632 -0.000) 0.894 5.907 ( -2.885 2.885 0.000) 4.080 6.142 ( 1.838 -1.838 -0.000) 2.599 6.196 ( -1.924 1.924 0.000) 2.721 6.269 ( -0.126 0.126 0.000) 0.178 6.271 ( -0.266 0.266 0.000) 0.377 6.778 ( 6.654 -6.654 -0.000) 9.410 6.926 ( -4.212 4.212 0.000) 5.957 7.042 ( 0.930 -0.930 -0.000) 1.315 7.075 ( -1.431 1.431 0.000) 2.023 7.809 ( 4.607 -4.607 -0.000) 6.515 7.937 ( -4.577 4.577 0.000) 6.472 8.212 ( 1.214 -1.214 -0.000) 1.717 8.237 ( -0.706 0.706 0.000) 0.999 8.543 ( 1.584 -1.584 -0.000) 2.240 8.589 ( -1.758 1.758 0.000) 2.486 8.697 ( 7.558 -7.558 -0.000) 10.689 8.792 ( 4.043 -4.043 -0.000) 5.717 8.949 ( -5.119 5.119 0.000) 7.239 8.998 ( -5.398 5.398 0.000) 7.635 9.357 ( 1.356 -1.356 -0.000) 1.917 9.392 ( -1.401 1.401 0.000) 1.982 ======================= Grid point 95 (26/75) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 11.517 11.517 11.989) 20.224 1.118 ( 11.614 11.614 12.399) 20.579 1.875 ( 16.079 16.079 21.015) 30.963 2.063 ( -1.974 -1.974 0.336) 2.811 2.086 ( 0.334 0.334 -0.401) 0.619 2.406 ( 2.139 2.139 -0.784) 3.125 2.440 ( 1.083 1.083 -4.171) 4.443 2.477 ( 1.440 1.440 3.563) 4.104 2.503 ( -5.267 -5.267 -0.517) 7.467 2.829 ( 1.902 1.902 -1.350) 3.010 2.887 ( 0.068 0.068 3.063) 3.064 3.033 ( 3.862 3.862 -2.950) 6.208 3.201 ( -2.591 -2.591 -3.539) 5.094 3.264 ( -3.178 -3.178 -5.214) 6.883 3.607 ( -2.088 -2.088 -2.926) 4.157 3.727 ( -1.438 -1.438 5.825) 6.170 3.857 ( 0.185 0.185 0.496) 0.561 3.928 ( -0.209 -0.209 0.368) 0.472 5.742 ( -3.151 -3.151 1.712) 4.773 5.747 ( -2.175 -2.175 1.417) 3.387 5.858 ( -1.331 -1.331 -5.008) 5.350 6.015 ( -1.648 -1.648 -3.439) 4.155 6.160 ( 1.658 1.658 -0.968) 2.537 6.183 ( -2.858 -2.858 2.736) 4.881 6.305 ( 1.200 1.200 1.376) 2.184 6.362 ( -0.764 -0.764 4.009) 4.152 6.432 ( 4.365 4.365 3.851) 7.276 7.036 ( -2.626 -2.626 -3.380) 5.021 7.037 ( -2.174 -2.174 -1.008) 3.236 7.183 ( -1.232 -1.232 -0.933) 1.976 7.672 ( 3.797 3.797 6.102) 8.128 7.930 ( 4.170 4.170 0.883) 5.963 8.046 ( 8.888 8.888 2.498) 12.815 8.198 ( 1.279 1.279 -0.152) 1.815 8.410 ( 0.305 0.305 -0.981) 1.072 8.637 ( 0.724 0.724 -0.038) 1.024 8.655 ( -1.885 -1.885 -5.414) 6.035 8.745 ( -6.199 -6.199 9.200) 12.709 9.128 ( 1.224 1.224 -6.071) 6.313 9.173 ( -1.507 -1.507 -0.807) 2.279 9.207 ( -0.183 -0.183 -1.880) 1.898 9.493 ( -3.250 -3.250 -1.579) 4.859 ======================= Grid point 96 (27/75) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 8.550 9.048 11.479) 16.933 1.430 ( 6.344 10.848 9.859) 15.973 2.009 ( 1.609 -4.861 0.814) 5.185 2.092 ( -1.391 0.921 -0.089) 1.671 2.233 ( 1.468 4.388 3.831) 6.007 2.316 ( -0.096 -4.925 -4.683) 6.797 2.460 ( 2.980 4.203 0.535) 5.180 2.502 ( -3.101 1.561 0.834) 3.571 2.618 ( 4.153 7.442 7.560) 11.392 2.879 ( 4.475 4.568 6.252) 8.943 2.896 ( 0.019 -1.909 -1.174) 2.241 3.027 ( 3.868 1.645 -2.503) 4.892 3.135 ( -1.409 -0.107 -4.039) 4.279 3.211 ( -1.250 0.536 1.483) 2.012 3.517 ( -2.144 -3.885 -3.573) 5.697 3.748 ( -0.533 -3.341 -0.114) 3.385 3.829 ( 1.121 -2.892 -0.349) 3.121 3.935 ( -3.188 0.568 0.082) 3.239 5.712 ( -2.203 -3.677 1.511) 4.545 5.747 ( -2.263 -1.218 0.092) 2.572 5.785 ( -1.815 -0.334 -2.690) 3.262 5.947 ( -3.919 -1.571 -2.907) 5.126 6.161 ( 1.244 -1.328 0.790) 1.984 6.204 ( -2.079 0.372 2.144) 3.009 6.338 ( -1.819 0.956 1.637) 2.627 6.404 ( -2.127 -0.743 3.207) 3.920 6.563 ( 3.610 5.041 4.998) 7.964 6.937 ( 1.088 -3.905 -2.118) 4.574 7.016 ( -2.834 0.108 -1.829) 3.375 7.140 ( -2.081 -1.448 -2.728) 3.724 7.835 ( 3.106 5.547 7.754) 10.027 8.001 ( 2.792 1.865 3.687) 4.987 8.173 ( 6.073 2.019 0.343) 6.409 8.221 ( 4.183 6.248 -1.165) 7.608 8.415 ( 0.256 0.371 1.099) 1.188 8.542 ( 0.509 -1.617 -6.091) 6.322 8.647 ( 1.494 1.261 -0.784) 2.107 8.752 ( -2.508 -7.409 6.140) 9.944 9.035 ( 0.576 -1.808 -6.201) 6.485 9.152 ( -0.707 0.103 -0.783) 1.060 9.191 ( -0.721 0.627 -1.130) 1.480 9.428 ( -5.703 -2.319 -2.399) 6.607 ======================= Grid point 97 (28/75) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 4.973 4.333 5.102) 8.339 1.664 ( 2.940 6.122 6.153) 9.165 1.962 ( 3.950 -2.329 0.480) 4.611 2.046 ( 1.108 -2.942 -4.404) 5.410 2.222 ( 0.477 -0.334 -0.181) 0.610 2.269 ( -0.825 -0.683 -0.889) 1.392 2.511 ( -2.711 1.627 0.985) 3.312 2.528 ( -4.961 0.816 0.085) 5.029 2.726 ( 5.246 1.971 0.618) 5.638 2.827 ( 1.418 -1.805 -2.707) 3.550 3.017 ( 3.200 0.068 0.927) 3.332 3.068 ( 2.562 0.129 -0.141) 2.569 3.202 ( 3.421 10.191 10.277) 14.872 3.269 ( -1.454 2.702 1.771) 3.543 3.430 ( -0.885 -2.140 -0.983) 2.516 3.590 ( 3.418 -8.581 -8.612) 12.628 3.817 ( -2.065 -0.866 1.002) 2.453 3.940 ( -3.672 0.247 -0.131) 3.683 5.689 ( -1.496 -1.687 0.620) 2.338 5.718 ( -0.447 -0.315 -1.139) 1.264 5.776 ( -2.632 -0.016 0.068) 2.633 5.904 ( -6.320 -0.586 -1.014) 6.428 6.153 ( 2.021 -0.821 0.360) 2.211 6.230 ( -0.963 0.210 0.722) 1.222 6.377 ( -4.394 1.035 1.460) 4.744 6.422 ( -3.211 -0.731 0.857) 3.403 6.674 ( 2.462 2.667 2.291) 4.292 6.892 ( 0.937 -1.290 0.873) 1.817 6.983 ( 0.015 -0.517 -2.414) 2.469 7.087 ( -4.617 -0.709 -1.806) 5.008 8.009 ( 3.390 4.615 5.981) 8.280 8.071 ( 2.183 -0.803 3.967) 4.599 8.166 ( 3.794 2.301 -2.038) 4.883 8.234 ( 3.376 -1.478 -3.788) 5.285 8.398 ( 3.125 -0.956 -1.858) 3.759 8.547 ( 2.759 4.594 2.934) 6.110 8.633 ( 2.334 -0.994 -2.487) 3.552 8.731 ( -0.490 -3.799 2.594) 4.627 8.939 ( -1.195 -1.512 -3.184) 3.722 9.150 ( 0.376 0.401 -0.288) 0.621 9.191 ( -0.896 0.404 -0.167) 0.997 9.373 ( -7.428 -1.135 -1.460) 7.655 ======================= Grid point 102 (29/75) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 21.361 0.000 -0.000) 21.361 0.641 ( 22.498 0.000 -0.000) 22.498 1.137 ( 38.955 0.000 -0.000) 38.955 2.057 ( -4.727 -0.000 0.000) 4.727 2.142 ( -0.427 -0.000 0.000) 0.427 2.381 ( 0.733 0.000 -0.000) 0.733 2.400 ( 0.800 0.000 -0.000) 0.800 2.445 ( 3.608 0.000 -0.000) 3.608 2.740 ( -4.339 -0.000 0.000) 4.339 2.753 ( 0.020 0.000 -0.000) 0.020 2.816 ( -0.360 -0.000 0.000) 0.360 3.045 ( 2.735 0.000 -0.000) 2.735 3.305 ( -6.542 -0.000 0.000) 6.542 3.522 ( -9.158 -0.000 0.000) 9.158 3.541 ( 4.774 0.000 -0.000) 4.774 3.637 ( 2.931 0.000 -0.000) 2.931 3.820 ( -3.347 -0.000 0.000) 3.347 3.916 ( 3.422 0.000 -0.000) 3.422 5.769 ( -1.681 -0.000 0.000) 1.681 5.798 ( 0.169 0.000 -0.000) 0.169 5.990 ( -5.783 -0.000 0.000) 5.783 6.056 ( 2.764 0.000 -0.000) 2.764 6.150 ( 5.773 0.000 -0.000) 5.773 6.222 ( -2.031 -0.000 0.000) 2.031 6.302 ( 0.790 0.000 -0.000) 0.790 6.319 ( 0.481 0.000 -0.000) 0.481 6.356 ( -0.879 -0.000 0.000) 0.879 7.093 ( -4.595 -0.000 0.000) 4.595 7.122 ( -3.460 -0.000 0.000) 3.460 7.217 ( -4.202 -0.000 0.000) 4.202 7.609 ( 8.416 0.000 -0.000) 8.416 7.728 ( 3.131 0.000 -0.000) 3.131 7.963 ( 13.904 0.000 -0.000) 13.904 8.163 ( 1.841 0.000 -0.000) 1.841 8.383 ( -6.295 -0.000 0.000) 6.295 8.521 ( -4.706 -0.000 0.000) 4.706 8.631 ( -0.412 -0.000 0.000) 0.412 8.771 ( -4.024 -0.000 0.000) 4.024 9.188 ( 2.979 0.000 -0.000) 2.979 9.195 ( -3.543 -0.000 0.000) 3.543 9.271 ( 0.159 0.000 -0.000) 0.159 9.606 ( -0.335 -0.000 0.000) 0.335 ======================= Grid point 105 (30/75) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 5.684 5.684 4.698) 9.310 1.641 ( 5.051 5.051 9.753) 12.089 2.040 ( 0.892 0.892 -4.169) 4.356 2.045 ( -0.798 -0.798 2.003) 2.299 2.249 ( -0.552 -0.552 -3.597) 3.681 2.262 ( -0.495 -0.495 0.377) 0.796 2.461 ( -0.515 -0.515 -0.333) 0.801 2.487 ( -2.473 -2.473 0.881) 3.606 2.749 ( 5.443 5.443 1.349) 7.815 2.854 ( 0.425 0.425 -3.377) 3.430 3.055 ( 2.435 2.435 -0.892) 3.557 3.070 ( 0.281 0.281 -2.001) 2.040 3.146 ( 7.871 7.871 13.688) 17.643 3.239 ( 0.144 0.144 3.363) 3.369 3.442 ( -2.089 -2.089 -1.925) 3.527 3.710 ( -1.813 -1.813 -4.627) 5.290 3.785 ( -0.844 -0.844 -5.708) 5.831 3.904 ( -3.414 -3.414 2.830) 5.597 5.693 ( -1.585 -1.585 -0.976) 2.445 5.735 ( -1.424 -1.424 0.039) 2.014 5.742 ( -1.865 -1.865 2.331) 3.520 5.859 ( -3.655 -3.655 -2.040) 5.557 6.198 ( 0.044 0.044 1.353) 1.354 6.204 ( -0.979 -0.979 1.779) 2.255 6.326 ( -1.013 -1.013 0.176) 1.443 6.406 ( -2.614 -2.614 1.616) 4.034 6.673 ( 3.231 3.231 3.894) 6.003 6.910 ( -0.516 -0.516 -1.756) 1.901 6.991 ( -0.538 -0.538 0.962) 1.226 7.053 ( -2.380 -2.380 -4.613) 5.711 8.000 ( 4.501 4.501 7.640) 9.944 8.092 ( 1.218 1.218 5.343) 5.614 8.175 ( 3.163 3.163 -5.400) 7.012 8.265 ( 1.810 1.810 -4.607) 5.270 8.439 ( 1.301 1.301 0.706) 1.970 8.520 ( 5.045 5.045 -0.743) 7.173 8.660 ( 1.328 1.328 -0.290) 1.901 8.761 ( -4.846 -4.846 3.014) 7.488 8.951 ( -0.208 -0.208 -5.700) 5.707 9.151 ( -0.490 -0.490 1.896) 2.019 9.181 ( 0.057 0.057 0.234) 0.247 9.316 ( -5.090 -5.090 -2.829) 7.734 ======================= Grid point 106 (31/75) ======================= q-point: (-0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 3.196 0.971 -0.965) 3.477 1.746 ( 1.084 -1.797 0.371) 2.131 2.012 ( 4.260 0.433 -1.491) 4.534 2.052 ( 2.196 0.302 1.012) 2.437 2.220 ( 1.157 1.831 -2.084) 3.006 2.254 ( -0.827 -0.101 -0.236) 0.866 2.453 ( -3.956 -1.770 1.366) 4.544 2.479 ( -4.996 -0.543 1.861) 5.359 2.815 ( 5.940 1.671 -0.272) 6.176 2.839 ( 3.282 1.999 -0.115) 3.845 3.038 ( 1.729 1.129 -2.295) 3.087 3.073 ( 0.465 1.730 -1.135) 2.121 3.279 ( -0.353 -1.792 1.655) 2.465 3.309 ( -1.496 -1.405 1.931) 2.818 3.491 ( 5.587 -2.599 -2.000) 6.478 3.559 ( 4.700 1.527 1.402) 5.136 3.733 ( -5.063 4.283 -5.538) 8.640 3.903 ( -4.342 -2.993 3.028) 6.081 5.660 ( -0.877 0.168 -1.860) 2.063 5.729 ( -0.059 -2.139 2.513) 3.301 5.748 ( -2.226 -1.045 -0.043) 2.460 5.816 ( -6.082 -0.889 1.710) 6.380 6.187 ( 1.647 -1.512 0.033) 2.237 6.217 ( -1.289 -0.124 -0.376) 1.348 6.323 ( -3.061 0.428 -0.431) 3.121 6.381 ( -3.583 -1.993 -0.064) 4.101 6.738 ( 3.528 -0.080 1.333) 3.772 6.887 ( -0.928 -0.143 -1.286) 1.593 6.979 ( 0.090 -0.102 -0.199) 0.241 7.021 ( -2.916 0.443 1.875) 3.495 8.088 ( 3.142 0.476 -4.721) 5.691 8.097 ( 1.988 -0.459 -5.370) 5.745 8.209 ( 1.936 2.694 3.132) 4.563 8.228 ( 1.450 1.365 3.902) 4.381 8.448 ( 4.571 0.847 -1.242) 4.811 8.584 ( 3.241 4.940 -4.871) 7.657 8.665 ( 3.085 -0.843 1.191) 3.413 8.739 ( -2.731 -4.181 3.582) 6.146 8.904 ( 1.028 1.930 -1.251) 2.519 9.171 ( 0.065 -2.648 1.897) 3.259 9.185 ( -0.416 -0.358 0.048) 0.550 9.251 ( -8.242 0.155 1.220) 8.333 ======================= Grid point 107 (32/75) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 5.820 -5.864 -7.039) 10.854 1.640 ( 4.807 -7.230 -5.047) 10.043 1.975 ( 1.724 1.924 -4.226) 4.953 2.103 ( 0.539 0.018 2.391) 2.451 2.223 ( -1.371 3.687 -0.946) 4.045 2.269 ( -1.236 -0.195 1.175) 1.717 2.472 ( -1.523 0.398 2.262) 2.755 2.500 ( -1.775 -1.486 2.629) 3.503 2.790 ( 5.892 -3.196 -1.450) 6.858 2.884 ( 1.233 1.239 1.723) 2.454 3.027 ( 4.353 0.299 -4.550) 6.304 3.073 ( 0.133 -0.211 -2.205) 2.220 3.144 ( 4.068 -7.667 -6.013) 10.559 3.243 ( 0.511 -5.166 0.168) 5.194 3.440 ( -1.570 3.237 2.701) 4.499 3.670 ( -4.289 4.919 -3.718) 7.511 3.786 ( 2.553 6.131 3.123) 7.339 3.901 ( -4.257 -2.533 2.047) 5.360 5.651 ( -1.143 1.815 -1.563) 2.654 5.703 ( -3.636 -0.886 -1.821) 4.162 5.768 ( -0.286 -0.275 3.847) 3.867 5.866 ( -4.244 1.695 3.663) 5.857 6.165 ( 0.581 -0.382 -1.308) 1.481 6.194 ( -1.158 -0.865 -1.447) 2.045 6.318 ( -1.591 0.232 -0.683) 1.747 6.359 ( -2.947 0.215 -1.705) 3.412 6.690 ( 4.680 -5.216 -1.739) 7.220 6.903 ( -0.398 2.791 1.040) 3.005 6.995 ( -0.625 -0.292 1.230) 1.410 7.078 ( -2.773 2.214 3.237) 4.803 7.948 ( 3.022 -4.072 -8.177) 9.621 8.027 ( 0.501 0.348 -4.814) 4.852 8.263 ( 4.735 -0.005 1.896) 5.101 8.319 ( 1.837 0.413 2.270) 2.949 8.431 ( 1.987 -0.663 -1.460) 2.553 8.548 ( 1.239 1.366 -1.597) 2.439 8.671 ( 2.324 0.478 -1.164) 2.643 8.712 ( 0.959 -4.342 1.193) 4.604 8.981 ( 0.273 6.122 2.633) 6.670 9.127 ( -5.145 -1.483 -1.234) 5.495 9.207 ( 1.183 -1.109 3.303) 3.680 9.316 ( -5.129 2.221 3.954) 6.846 ======================= Grid point 108 (33/75) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 9.633 -9.633 -7.787) 15.692 1.423 ( 10.436 -10.436 -8.292) 16.929 1.958 ( -2.842 2.842 -3.664) 5.439 2.108 ( 1.013 -1.013 0.183) 1.444 2.241 ( 5.861 -5.861 -1.251) 8.382 2.301 ( -6.574 6.574 0.830) 9.334 2.474 ( 1.449 -1.449 -1.082) 2.317 2.519 ( 1.940 -1.940 2.774) 3.902 2.615 ( 10.889 -10.889 -7.410) 17.089 2.883 ( 2.671 -2.671 -1.122) 3.940 2.898 ( 0.621 -0.621 -0.764) 1.164 3.101 ( -2.026 2.026 1.893) 3.433 3.133 ( -2.300 2.300 0.601) 3.307 3.194 ( 1.730 -1.730 1.052) 2.664 3.538 ( -2.930 2.930 4.173) 5.881 3.661 ( -4.166 4.166 -5.688) 8.189 3.863 ( 0.236 -0.236 0.152) 0.366 3.906 ( -1.116 1.116 1.465) 2.154 5.662 ( -2.395 2.395 -1.395) 3.663 5.685 ( -2.238 2.238 -1.471) 3.490 5.827 ( -0.854 0.854 3.609) 3.806 5.950 ( -3.059 3.059 3.709) 5.698 6.135 ( -0.523 0.523 -2.557) 2.662 6.184 ( 0.203 -0.203 1.191) 1.225 6.314 ( -0.376 0.376 -0.833) 0.988 6.334 ( -1.151 1.151 -3.114) 3.514 6.583 ( 6.434 -6.434 -1.760) 9.268 6.969 ( -2.398 2.398 2.406) 4.158 7.006 ( -0.162 0.162 1.337) 1.357 7.138 ( -2.075 2.075 0.624) 3.000 7.785 ( 4.249 -4.249 -6.556) 8.893 7.991 ( 0.081 -0.081 -0.540) 0.552 8.251 ( 2.474 -2.474 -1.989) 4.024 8.257 ( 5.362 -5.362 -2.635) 8.028 8.428 ( 1.088 -1.088 2.518) 2.951 8.601 ( -1.774 1.774 3.141) 4.020 8.630 ( -1.225 1.225 -5.606) 5.867 8.678 ( 2.401 -2.401 0.310) 3.410 9.098 ( -3.052 3.052 3.006) 5.260 9.113 ( -3.130 3.130 -1.121) 4.567 9.239 ( 1.923 -1.923 4.143) 4.955 9.400 ( -3.216 3.216 2.806) 5.344 ======================= Grid point 110 (34/75) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 17.916 -9.615 -0.000) 20.333 0.985 ( 19.541 -6.824 -0.000) 20.698 1.683 ( 27.541 -9.523 -0.000) 29.141 1.982 ( -6.102 -0.700 0.000) 6.142 2.161 ( 6.426 1.553 -0.000) 6.611 2.398 ( -0.661 -0.801 -0.000) 1.039 2.413 ( 0.063 -1.099 -0.000) 1.101 2.498 ( 1.762 -1.687 -0.000) 2.439 2.593 ( -1.389 8.744 0.000) 8.854 2.818 ( -0.032 -4.793 -0.000) 4.794 2.824 ( -0.314 -1.980 -0.000) 2.005 3.110 ( 5.892 -0.461 -0.000) 5.910 3.199 ( -7.361 1.127 0.000) 7.447 3.358 ( -9.901 3.982 0.000) 10.672 3.579 ( -1.342 -0.639 0.000) 1.487 3.665 ( 1.221 0.682 -0.000) 1.398 3.801 ( -0.869 -1.794 -0.000) 1.994 3.943 ( 1.029 0.692 -0.000) 1.240 5.725 ( -1.714 2.543 0.000) 3.067 5.779 ( 1.361 3.895 0.000) 4.126 5.902 ( -4.184 1.530 0.000) 4.455 6.105 ( 2.183 0.282 -0.000) 2.201 6.161 ( -0.925 4.714 0.000) 4.804 6.224 ( 3.918 -0.297 -0.000) 3.929 6.302 ( 0.474 1.380 0.000) 1.459 6.323 ( -0.536 1.495 0.000) 1.588 6.396 ( 4.782 -5.218 -0.000) 7.078 7.024 ( -4.112 0.352 0.000) 4.127 7.072 ( -3.387 0.351 0.000) 3.405 7.161 ( -3.011 1.096 0.000) 3.204 7.679 ( 8.268 3.723 -0.000) 9.067 7.872 ( 3.995 -9.685 -0.000) 10.477 8.123 ( 6.017 0.903 -0.000) 6.084 8.191 ( 3.272 -0.254 -0.000) 3.282 8.319 ( -8.518 -7.607 0.000) 11.420 8.494 ( -0.536 -0.718 -0.000) 0.896 8.639 ( 2.128 -0.374 -0.000) 2.161 8.700 ( -5.344 0.582 0.000) 5.376 9.131 ( -5.329 0.647 0.000) 5.368 9.231 ( 2.000 0.347 -0.000) 2.030 9.269 ( 0.703 0.137 -0.000) 0.716 9.559 ( -1.250 4.460 0.000) 4.631 ======================= Grid point 111 (35/75) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 18.607 0.000 7.423) 20.033 1.011 ( 18.885 0.000 9.851) 21.300 1.697 ( 26.829 0.000 11.464) 29.176 1.978 ( -6.178 -0.000 -0.024) 6.178 2.175 ( 6.304 0.000 0.472) 6.321 2.390 ( 0.178 0.000 0.108) 0.208 2.417 ( -0.506 -0.000 0.412) 0.653 2.471 ( 1.939 0.000 -1.505) 2.455 2.663 ( -2.101 -0.000 -2.125) 2.988 2.760 ( 0.288 0.000 0.505) 0.581 2.826 ( -0.429 0.000 1.935) 1.982 3.082 ( 3.949 0.000 -3.413) 5.219 3.217 ( -4.759 -0.000 1.025) 4.868 3.340 ( -7.863 -0.000 -5.780) 9.759 3.599 ( -3.760 -0.000 1.533) 4.060 3.676 ( 1.473 0.000 2.318) 2.747 3.789 ( -1.256 -0.000 0.187) 1.270 3.955 ( 1.251 0.000 0.941) 1.565 5.744 ( -2.111 -0.000 0.157) 2.117 5.805 ( 0.857 0.000 -0.135) 0.868 5.900 ( -3.559 -0.000 -2.688) 4.460 6.087 ( 2.323 0.000 -2.015) 3.076 6.201 ( 1.648 0.000 -1.433) 2.184 6.215 ( 1.072 0.000 -0.633) 1.245 6.305 ( 0.131 -0.000 -1.465) 1.471 6.351 ( 1.571 0.000 3.439) 3.781 6.365 ( 5.451 0.000 2.593) 6.037 6.991 ( -5.242 -0.000 -3.552) 6.333 7.101 ( -2.727 -0.000 2.027) 3.398 7.168 ( -2.840 -0.000 0.161) 2.845 7.731 ( 8.809 0.000 0.020) 8.809 7.802 ( 4.379 0.000 3.170) 5.406 8.072 ( 7.040 0.000 -4.514) 8.363 8.191 ( 0.726 0.000 0.976) 1.216 8.356 ( -6.067 -0.000 6.902) 9.189 8.511 ( -3.636 0.000 5.106) 6.269 8.638 ( 1.130 0.000 -0.011) 1.130 8.689 ( -5.184 -0.000 -2.007) 5.559 9.128 ( -4.672 -0.000 -1.226) 4.830 9.213 ( 2.957 0.000 -2.285) 3.737 9.262 ( 0.335 -0.000 -1.487) 1.525 9.583 ( -1.596 -0.000 -1.382) 2.111 ======================= Grid point 115 (36/75) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.772 0.772 -2.924) 3.121 1.713 ( -1.127 -1.127 -3.891) 4.204 2.036 ( 0.712 0.712 -4.745) 4.851 2.038 ( 0.689 0.689 -3.329) 3.469 2.219 ( 1.385 1.385 0.252) 1.975 2.239 ( -0.950 -0.950 0.997) 1.673 2.464 ( -0.534 -0.534 4.569) 4.631 2.486 ( -1.412 -1.412 5.034) 5.416 2.865 ( 2.022 2.022 -0.639) 2.930 2.875 ( 1.670 1.670 -0.470) 2.408 3.029 ( 1.998 1.998 -2.149) 3.551 3.053 ( 0.222 0.222 -2.121) 2.144 3.289 ( -0.906 -0.906 -0.106) 1.286 3.318 ( -2.068 -2.068 2.898) 4.117 3.459 ( 0.825 0.825 -9.201) 9.275 3.505 ( -1.818 -1.818 -6.669) 7.148 3.761 ( 5.348 5.348 5.725) 9.486 3.890 ( -3.789 -3.789 2.796) 6.044 5.631 ( 0.401 0.401 -1.689) 1.781 5.682 ( -2.954 -2.954 -2.352) 4.794 5.782 ( 0.157 0.157 3.817) 3.824 5.808 ( -1.786 -1.786 4.124) 4.836 6.183 ( -0.619 -0.619 -1.545) 1.775 6.185 ( -0.647 -0.647 -1.676) 1.910 6.303 ( 0.120 0.120 -0.184) 0.250 6.334 ( -2.116 -2.116 -0.732) 3.080 6.803 ( 1.452 1.452 1.481) 2.532 6.842 ( -1.317 -1.317 -0.914) 2.075 7.000 ( 1.297 1.297 2.082) 2.774 7.033 ( -1.056 -1.056 2.502) 2.913 8.009 ( 0.543 0.543 -7.703) 7.741 8.018 ( -0.150 -0.150 -6.949) 6.952 8.289 ( 2.551 2.551 1.963) 4.108 8.316 ( 0.774 0.774 3.781) 3.936 8.472 ( 2.527 2.527 -1.543) 3.893 8.521 ( -0.094 -0.094 -4.763) 4.765 8.722 ( 1.425 1.425 2.094) 2.906 8.766 ( -1.865 -1.865 3.130) 4.093 8.926 ( 4.513 4.513 -1.132) 6.483 9.082 ( -5.784 -5.784 -2.881) 8.673 9.243 ( -0.071 -0.071 4.438) 4.439 9.247 ( -0.468 -0.468 5.077) 5.120 ======================= Grid point 117 (37/75) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.644 -5.644 -4.610) 9.217 1.641 ( 3.822 -3.822 -4.022) 6.738 1.915 ( 1.329 -1.329 -6.052) 6.337 2.049 ( -6.159 6.159 -4.633) 9.865 2.223 ( 1.706 -1.706 2.207) 3.270 2.281 ( -1.385 1.385 2.650) 3.295 2.515 ( 1.805 -1.805 2.847) 3.824 2.548 ( -0.104 0.104 4.702) 4.704 2.836 ( 3.408 -3.408 -0.912) 4.906 2.899 ( -1.248 1.248 0.402) 1.811 3.019 ( -1.229 1.229 -2.667) 3.183 3.021 ( 1.964 -1.964 -3.818) 4.721 3.141 ( 8.197 -8.197 -6.159) 13.127 3.293 ( 2.879 -2.879 2.166) 4.612 3.451 ( -3.314 3.314 2.984) 5.556 3.482 ( -8.105 8.105 -7.085) 13.475 3.870 ( 0.282 -0.282 1.528) 1.579 3.881 ( -0.629 0.629 2.382) 2.542 5.622 ( -0.461 0.461 -1.439) 1.580 5.635 ( -1.295 1.295 -1.490) 2.361 5.823 ( 0.725 -0.725 3.005) 3.175 5.869 ( -2.559 2.559 3.093) 4.761 6.145 ( 0.997 -0.997 -1.347) 1.950 6.174 ( -0.863 0.863 -0.076) 1.223 6.301 ( -0.254 0.254 -0.905) 0.973 6.307 ( -0.713 0.713 -1.759) 2.028 6.758 ( 6.003 -6.003 0.574) 8.509 6.891 ( -3.675 3.675 1.541) 5.421 7.023 ( 1.357 -1.357 1.533) 2.456 7.075 ( -2.342 2.342 1.328) 3.568 7.889 ( 3.237 -3.237 -6.015) 7.559 7.960 ( -1.988 1.988 -3.301) 4.336 8.297 ( 0.806 -0.806 -3.625) 3.801 8.310 ( -0.182 0.182 -3.464) 3.473 8.474 ( 2.147 -2.147 3.194) 4.406 8.537 ( -2.421 2.421 2.184) 4.061 8.718 ( 5.219 -5.219 -0.707) 7.414 8.759 ( 2.671 -2.671 2.016) 4.281 8.998 ( -3.447 3.447 0.248) 4.880 9.004 ( -4.049 4.049 -3.034) 6.480 9.287 ( 1.588 -1.588 4.504) 5.033 9.331 ( -1.881 1.881 4.122) 4.906 ======================= Grid point 119 (38/75) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 13.509 -8.881 -0.000) 16.167 1.331 ( 15.742 -8.177 -0.000) 17.739 1.873 ( -4.102 1.152 0.000) 4.261 2.039 ( 1.918 -5.797 -0.000) 6.106 2.296 ( -4.087 4.866 0.000) 6.355 2.344 ( 12.781 -1.036 -0.000) 12.823 2.436 ( -0.089 -0.730 -0.000) 0.736 2.525 ( 2.362 -4.583 -0.000) 5.156 2.613 ( 9.392 -1.718 -0.000) 9.548 2.854 ( -0.594 -2.871 -0.000) 2.932 2.876 ( 1.280 -2.890 -0.000) 3.160 3.084 ( -7.086 0.577 0.000) 7.110 3.129 ( -6.227 5.680 0.000) 8.428 3.247 ( 3.768 -2.348 -0.000) 4.440 3.513 ( -6.759 1.770 0.000) 6.987 3.639 ( -1.090 3.889 0.000) 4.039 3.829 ( 0.470 -2.169 -0.000) 2.219 3.931 ( -0.649 1.043 0.000) 1.228 5.672 ( 0.378 3.381 0.000) 3.402 5.732 ( 2.173 6.454 0.000) 6.810 5.854 ( -1.370 -0.217 0.000) 1.387 6.038 ( -1.787 6.342 0.000) 6.589 6.151 ( 3.615 1.944 -0.000) 4.104 6.253 ( 1.291 1.605 0.000) 2.060 6.284 ( -0.031 1.283 0.000) 1.284 6.298 ( 0.375 1.657 0.000) 1.699 6.580 ( 7.890 -7.429 -0.000) 10.837 6.981 ( -3.209 -0.566 0.000) 3.258 7.025 ( -2.199 0.359 0.000) 2.228 7.108 ( -2.627 1.056 0.000) 2.831 7.750 ( 6.882 1.187 -0.000) 6.984 8.022 ( 0.489 -3.954 -0.000) 3.984 8.107 ( -2.695 -1.489 0.000) 3.079 8.203 ( -3.479 -2.164 0.000) 4.097 8.400 ( 0.090 -8.576 -0.000) 8.576 8.524 ( 1.739 -2.621 -0.000) 3.145 8.622 ( -4.882 0.059 0.000) 4.883 8.720 ( 7.838 -1.509 -0.000) 7.982 9.028 ( -6.972 2.143 0.000) 7.294 9.198 ( -0.210 5.308 0.000) 5.313 9.307 ( 1.604 -1.973 -0.000) 2.542 9.472 ( -1.865 4.566 0.000) 4.932 ======================= Grid point 120 (39/75) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 16.175 -6.075 4.851) 17.946 1.289 ( 16.715 -4.303 6.612) 18.483 1.894 ( -4.311 0.224 1.377) 4.531 1.976 ( 6.212 -4.889 3.642) 8.703 2.324 ( 11.085 0.509 -0.903) 11.133 2.358 ( -3.755 3.355 -1.706) 5.316 2.427 ( 2.927 -3.296 1.087) 4.540 2.497 ( 0.345 -0.965 2.957) 3.129 2.626 ( 6.666 3.670 -0.836) 7.655 2.806 ( -1.425 -4.408 0.022) 4.633 2.843 ( 1.460 -2.142 1.122) 2.824 3.071 ( -5.801 -0.277 -2.304) 6.248 3.187 ( -6.259 3.514 -1.176) 7.274 3.229 ( 2.638 -0.581 0.486) 2.745 3.530 ( -5.963 0.306 0.096) 5.971 3.679 ( -0.106 1.483 1.387) 2.033 3.793 ( -0.644 -1.618 -1.676) 2.417 3.954 ( -0.250 0.952 1.205) 1.556 5.709 ( -0.429 2.031 -0.191) 2.084 5.808 ( 2.738 3.461 -0.496) 4.441 5.849 ( -1.766 1.302 -1.054) 2.434 6.091 ( 0.719 4.072 -3.646) 5.513 6.186 ( 1.245 1.818 1.541) 2.688 6.239 ( 2.058 0.993 -3.527) 4.203 6.308 ( 0.861 0.504 -0.250) 1.028 6.354 ( 1.892 2.271 4.117) 5.068 6.500 ( 7.827 -4.884 2.248) 9.495 6.933 ( -3.941 -1.053 -3.759) 5.547 7.057 ( -2.473 0.961 2.332) 3.532 7.126 ( -2.747 0.551 0.934) 2.954 7.798 ( 7.463 3.554 1.214) 8.355 7.930 ( 2.690 -6.895 1.414) 7.535 8.088 ( -3.968 -0.724 -2.107) 4.550 8.210 ( -1.782 -2.856 2.601) 4.254 8.321 ( -1.956 -3.778 3.870) 5.752 8.506 ( -0.377 -1.742 1.829) 2.553 8.609 ( -4.960 0.064 -1.694) 5.242 8.701 ( 6.919 -0.797 -0.568) 6.988 9.049 ( -5.858 1.208 -0.527) 6.005 9.243 ( 0.854 1.769 -0.786) 2.116 9.267 ( 1.604 -0.770 -2.561) 3.118 9.523 ( -2.800 3.701 -1.168) 4.785 ======================= Grid point 121 (40/75) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 15.076 0.000 8.696) 17.404 1.378 ( 14.751 0.000 9.548) 17.571 1.903 ( -4.877 -0.000 0.266) 4.885 2.027 ( 3.255 0.000 6.932) 7.658 2.307 ( -5.542 -0.000 -5.310) 7.675 2.329 ( 6.957 0.000 -2.194) 7.294 2.412 ( 3.813 0.000 1.718) 4.182 2.582 ( 9.033 0.000 8.393) 12.330 2.649 ( 0.985 0.000 -0.438) 1.078 2.766 ( -1.256 -0.000 -0.263) 1.283 2.848 ( 1.393 0.000 1.721) 2.214 3.034 ( -1.838 -0.000 -2.171) 2.845 3.169 ( -6.056 -0.000 -3.875) 7.190 3.250 ( 3.813 0.000 2.016) 4.313 3.519 ( -5.149 -0.000 -2.035) 5.536 3.731 ( -0.715 0.000 4.103) 4.165 3.739 ( -3.657 -0.000 -4.098) 5.493 3.979 ( 0.276 0.000 1.127) 1.161 5.719 ( -1.183 -0.000 -0.302) 1.220 5.798 ( 0.601 -0.000 -2.890) 2.952 5.852 ( 0.956 -0.000 -1.262) 1.583 6.065 ( 1.069 -0.000 -3.582) 3.738 6.182 ( 2.043 -0.000 -4.557) 4.994 6.215 ( 0.297 0.000 0.743) 0.800 6.329 ( 0.272 0.000 3.538) 3.548 6.433 ( 2.541 0.000 3.737) 4.519 6.523 ( 7.976 0.000 5.037) 9.433 6.877 ( -4.545 -0.000 -2.921) 5.403 7.081 ( -1.799 -0.000 -0.739) 1.944 7.151 ( -2.095 -0.000 1.970) 2.876 7.844 ( 6.579 0.000 1.374) 6.721 7.914 ( 4.193 0.000 3.957) 5.765 8.074 ( -2.164 -0.000 1.211) 2.480 8.186 ( -1.982 -0.000 -0.882) 2.169 8.375 ( -2.002 0.000 4.778) 5.180 8.514 ( -6.058 -0.000 -0.755) 6.105 8.600 ( -2.544 -0.000 2.055) 3.270 8.681 ( 5.771 0.000 -1.466) 5.954 9.041 ( -4.654 -0.000 -1.872) 5.016 9.208 ( 2.407 -0.000 -3.705) 4.418 9.247 ( 0.527 -0.000 -1.473) 1.565 9.529 ( -2.783 -0.000 -1.744) 3.284 ======================= Grid point 128 (41/75) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 8.060 -5.420 -0.000) 9.713 1.597 ( 7.211 -3.414 -0.000) 7.978 1.817 ( 0.774 -0.760 -0.000) 1.085 1.975 ( -6.671 8.000 0.000) 10.416 2.255 ( 2.099 -3.324 -0.000) 3.932 2.348 ( -2.452 3.965 0.000) 4.662 2.539 ( 3.252 -4.979 -0.000) 5.947 2.594 ( -1.446 -2.424 -0.000) 2.823 2.825 ( 5.598 -4.681 -0.000) 7.298 2.880 ( -0.537 -3.351 -0.000) 3.393 2.913 ( -3.933 -0.454 0.000) 3.959 2.969 ( -5.158 3.256 0.000) 6.099 3.077 ( 8.430 -6.047 -0.000) 10.375 3.322 ( -6.267 5.442 0.000) 8.300 3.393 ( 3.976 -1.313 -0.000) 4.187 3.529 ( -3.315 7.001 0.000) 7.747 3.867 ( 0.581 -2.270 -0.000) 2.343 3.903 ( -1.621 0.724 0.000) 1.775 5.652 ( 3.263 3.057 -0.000) 4.472 5.677 ( 2.374 5.661 0.000) 6.138 5.868 ( 2.582 -0.559 -0.000) 2.642 5.935 ( -1.067 5.453 0.000) 5.557 6.179 ( 3.701 1.024 -0.000) 3.840 6.221 ( 0.147 3.394 0.000) 3.398 6.279 ( 1.093 0.905 -0.000) 1.419 6.285 ( 0.825 1.489 0.000) 1.702 6.777 ( 6.176 -6.566 -0.000) 9.014 6.914 ( -4.604 2.865 0.000) 5.423 7.024 ( -0.264 -2.163 -0.000) 2.179 7.061 ( -2.578 0.616 0.000) 2.650 7.837 ( 5.573 -1.902 -0.000) 5.889 7.952 ( -3.543 5.329 0.000) 6.399 8.155 ( -2.326 -6.150 -0.000) 6.576 8.188 ( -3.388 -2.129 0.000) 4.002 8.482 ( -2.146 -6.167 -0.000) 6.530 8.535 ( -5.604 -1.770 0.000) 5.877 8.666 ( 4.876 -6.825 -0.000) 8.388 8.815 ( -2.721 1.901 0.000) 3.319 8.944 ( 5.198 0.003 -0.000) 5.198 9.087 ( -1.378 9.268 0.000) 9.370 9.352 ( 1.298 -1.840 -0.000) 2.252 9.399 ( -1.799 2.314 0.000) 2.931 ======================= Grid point 129 (42/75) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 11.298 -4.921 3.071) 12.700 1.559 ( 12.295 -4.773 3.881) 13.748 1.838 ( -1.952 0.523 1.930) 2.795 2.057 ( -1.205 0.182 2.023) 2.362 2.227 ( -3.358 1.944 -1.492) 4.158 2.372 ( -1.220 1.561 -2.951) 3.554 2.498 ( 1.407 -0.711 2.012) 2.556 2.533 ( 0.352 -4.243 -0.941) 4.360 2.773 ( 6.617 -3.036 -0.249) 7.285 2.830 ( -1.598 -3.876 0.312) 4.204 2.896 ( -1.978 -1.402 -0.278) 2.440 3.015 ( -3.224 -0.351 0.357) 3.262 3.057 ( 1.577 0.420 3.916) 4.242 3.324 ( 5.603 -1.697 0.042) 5.855 3.431 ( -4.930 2.653 0.897) 5.670 3.618 ( -2.112 5.624 0.418) 6.022 3.805 ( -1.353 -2.232 -3.880) 4.676 3.933 ( -0.659 0.846 2.063) 2.325 5.689 ( 2.419 2.784 -0.510) 3.723 5.764 ( 1.764 5.944 0.165) 6.202 5.855 ( 3.108 0.070 -1.180) 3.325 6.012 ( -0.007 6.856 -1.926) 7.121 6.190 ( 1.998 1.398 -0.356) 2.464 6.243 ( 2.171 2.491 -2.513) 4.151 6.313 ( 2.133 1.756 0.696) 2.850 6.342 ( 1.881 3.134 4.049) 5.455 6.683 ( 6.916 -6.368 0.224) 9.403 6.906 ( -3.254 -1.064 -3.072) 4.600 7.014 ( -2.133 0.285 1.042) 2.391 7.081 ( -2.549 0.614 1.690) 3.119 7.844 ( 4.402 1.139 1.688) 4.850 7.985 ( -2.693 1.355 -2.243) 3.757 8.079 ( -2.488 -7.608 2.955) 8.533 8.206 ( -3.074 -1.590 5.692) 6.662 8.375 ( -2.259 -6.920 -1.253) 7.387 8.495 ( -6.265 -2.324 -1.448) 6.837 8.606 ( 2.988 -3.128 0.840) 4.406 8.818 ( 4.630 -0.233 -1.004) 4.744 8.955 ( -1.151 1.982 -0.486) 2.343 9.196 ( -0.109 5.452 0.520) 5.477 9.309 ( 1.333 -1.806 -2.562) 3.406 9.428 ( -2.989 3.666 -1.482) 4.956 ======================= Grid point 130 (43/75) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 12.349 -3.028 5.223) 13.746 1.584 ( 12.512 -2.379 6.610) 14.349 1.859 ( -2.070 -0.761 1.043) 2.440 2.063 ( 0.547 -1.979 2.252) 3.048 2.219 ( -5.796 1.410 -4.582) 7.522 2.349 ( -0.395 1.181 -2.706) 2.979 2.480 ( 1.703 -2.452 1.673) 3.422 2.574 ( -1.400 4.440 3.265) 5.686 2.723 ( 1.603 -2.248 -1.214) 3.016 2.771 ( -2.779 -4.616 -0.675) 5.430 2.899 ( 1.692 0.400 1.744) 2.462 3.004 ( -2.867 -2.178 0.995) 3.735 3.127 ( 4.189 0.572 4.558) 6.217 3.314 ( 5.065 -0.353 0.497) 5.102 3.457 ( -2.347 1.178 -0.797) 2.744 3.684 ( -3.126 0.933 -2.068) 3.862 3.715 ( -2.824 -0.313 -1.918) 3.428 3.972 ( -0.166 0.807 1.697) 1.886 5.710 ( 1.471 1.401 -0.558) 2.107 5.803 ( 0.755 1.156 -2.173) 2.575 5.860 ( 3.879 3.041 -1.318) 5.102 6.049 ( 1.231 4.512 -3.909) 6.096 6.205 ( 1.174 0.590 -1.471) 1.973 6.231 ( 2.741 0.494 -1.416) 3.124 6.338 ( 1.861 0.591 1.940) 2.753 6.445 ( 2.626 3.177 3.357) 5.316 6.644 ( 6.856 -2.416 3.144) 7.920 6.837 ( -3.164 -2.029 -2.578) 4.558 7.041 ( -2.451 1.679 -0.160) 2.976 7.117 ( -2.045 0.682 2.105) 3.014 7.896 ( 2.854 1.572 2.066) 3.858 7.973 ( -0.123 -0.666 1.762) 1.887 8.039 ( -3.227 -4.942 4.227) 7.260 8.198 ( -2.466 -5.390 -1.084) 6.026 8.349 ( -2.261 -0.543 5.586) 6.051 8.437 ( -7.005 -1.677 -2.906) 7.767 8.593 ( 0.865 -1.229 1.204) 1.925 8.793 ( 7.884 -0.517 -1.535) 8.049 8.972 ( -3.134 1.566 -1.032) 3.652 9.239 ( 0.848 0.839 -1.740) 2.109 9.243 ( 1.041 -0.173 -3.132) 3.305 9.460 ( -3.547 3.366 -1.173) 5.029 ======================= Grid point 131 (44/75) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 9.112 0.000 4.843) 10.320 1.654 ( 9.428 0.000 5.166) 10.750 1.860 ( -1.203 -0.000 0.943) 1.529 2.040 ( -4.079 -0.000 -4.681) 6.208 2.195 ( -1.121 -0.000 1.164) 1.616 2.313 ( -0.817 -0.000 -3.089) 3.195 2.510 ( 2.535 0.000 3.856) 4.614 2.631 ( -3.301 -0.000 -1.097) 3.478 2.681 ( -2.644 -0.000 -4.219) 4.979 2.762 ( -0.047 0.000 6.662) 6.663 2.922 ( -2.574 -0.000 0.205) 2.582 2.995 ( -0.665 0.000 0.897) 1.117 3.206 ( 10.257 0.000 6.946) 12.388 3.320 ( 2.966 0.000 0.234) 2.975 3.449 ( 0.047 -0.000 -1.173) 1.174 3.563 ( -6.648 -0.000 -10.477) 12.408 3.772 ( -2.193 0.000 4.682) 5.171 3.993 ( 0.330 0.000 0.444) 0.553 5.712 ( 1.162 0.000 -0.435) 1.241 5.772 ( 1.949 -0.000 -2.838) 3.442 5.856 ( 2.579 0.000 -2.464) 3.567 6.039 ( 0.985 -0.000 -2.085) 2.306 6.159 ( 3.020 0.000 -3.344) 4.505 6.233 ( 0.727 0.000 0.512) 0.889 6.393 ( 0.767 0.000 4.364) 4.431 6.498 ( 1.656 0.000 0.931) 1.900 6.667 ( 4.204 0.000 1.101) 4.346 6.815 ( -1.292 0.000 2.172) 2.527 7.029 ( -2.021 -0.000 -3.417) 3.970 7.151 ( -1.470 -0.000 1.425) 2.047 7.940 ( 1.246 0.000 3.877) 4.072 8.014 ( 3.286 0.000 2.768) 4.296 8.065 ( -3.752 -0.000 4.001) 5.485 8.131 ( -2.954 -0.000 -0.964) 3.107 8.363 ( -6.099 -0.000 -4.284) 7.454 8.442 ( -2.461 0.000 6.107) 6.584 8.594 ( -1.382 -0.000 -0.197) 1.396 8.770 ( 8.935 0.000 -1.261) 9.023 8.965 ( -2.591 -0.000 -1.477) 2.982 9.183 ( 1.283 -0.000 -3.388) 3.623 9.232 ( 0.032 -0.000 -1.599) 1.599 9.474 ( -2.439 -0.000 -0.400) 2.471 ======================= Grid point 137 (45/75) ======================= q-point: ( 0.56 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.795 1.795 1.214) 2.814 1.647 ( 2.254 2.254 2.525) 4.066 1.903 ( 1.275 1.275 2.774) 3.308 1.925 ( 1.463 1.463 3.736) 4.271 2.262 ( -1.601 -1.601 -3.764) 4.393 2.304 ( -0.132 -0.132 -0.136) 0.231 2.527 ( -2.262 -2.262 -1.592) 3.573 2.566 ( -1.712 -1.712 -0.169) 2.427 2.818 ( -3.339 -3.339 -1.525) 4.962 2.829 ( -4.870 -4.870 -1.323) 7.013 2.888 ( -0.714 -0.714 0.042) 1.011 2.958 ( 0.363 0.363 3.443) 3.481 3.235 ( -0.511 -0.511 3.366) 3.443 3.255 ( 2.094 2.094 4.407) 5.309 3.478 ( 3.605 3.605 -1.058) 5.207 3.488 ( 2.332 2.332 -0.019) 3.299 3.813 ( -1.973 -1.973 -5.284) 5.976 3.921 ( -0.150 -0.150 2.905) 2.913 5.693 ( 3.737 3.737 -1.331) 5.449 5.727 ( 3.394 3.394 1.224) 4.953 5.902 ( 2.971 2.971 -2.755) 5.025 5.938 ( 3.239 3.239 -0.036) 4.581 6.196 ( 1.161 1.161 -1.499) 2.223 6.238 ( 3.182 3.182 -1.185) 4.654 6.317 ( 2.567 2.567 0.917) 3.745 6.330 ( 2.467 2.467 3.656) 5.053 6.836 ( -0.754 -0.754 -0.571) 1.210 6.837 ( -0.923 -0.923 -1.529) 2.010 7.002 ( -2.005 -2.005 -1.280) 3.111 7.054 ( -0.525 -0.525 2.407) 2.519 7.899 ( 0.600 0.600 -0.669) 1.081 7.910 ( 0.182 0.182 0.791) 0.831 8.155 ( -2.434 -2.434 3.444) 4.869 8.165 ( -4.551 -4.551 5.203) 8.275 8.433 ( -4.226 -4.226 -1.616) 6.191 8.438 ( -5.161 -5.161 -1.626) 7.478 8.716 ( -1.236 -1.236 -1.090) 2.060 8.754 ( -0.672 -0.672 1.774) 2.013 9.010 ( 3.869 3.869 -4.187) 6.890 9.122 ( 4.200 4.200 3.736) 7.017 9.349 ( -0.468 -0.468 -2.683) 2.763 9.362 ( -0.190 -0.190 -1.714) 1.735 ======================= Grid point 139 (46/75) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 6.056 -1.018 1.156) 6.249 1.727 ( 4.806 1.471 3.774) 6.285 1.905 ( 5.999 -3.899 3.888) 8.143 2.058 ( -3.449 4.620 1.755) 6.026 2.145 ( -2.814 -3.120 -4.399) 6.083 2.309 ( -2.286 1.100 -1.405) 2.900 2.510 ( -0.355 -0.400 0.917) 1.061 2.529 ( -1.865 -1.735 0.306) 2.565 2.731 ( -4.289 -4.586 -1.392) 6.432 2.766 ( -5.716 -2.692 -1.264) 6.443 2.886 ( -1.179 -1.015 1.651) 2.268 2.992 ( -1.892 -0.902 1.091) 2.363 3.250 ( 6.049 -2.265 6.155) 8.922 3.368 ( 1.332 1.802 2.865) 3.638 3.461 ( 7.214 -0.249 0.212) 7.222 3.597 ( -3.039 6.300 1.314) 7.117 3.688 ( -3.115 -2.211 -7.959) 8.828 3.960 ( 0.000 0.576 2.263) 2.335 5.719 ( 3.410 2.537 -1.030) 4.373 5.783 ( 1.071 2.735 0.188) 2.943 5.890 ( 5.691 2.890 -3.739) 7.397 5.994 ( 2.217 6.001 -2.384) 6.827 6.205 ( 0.753 0.879 0.659) 1.332 6.256 ( 3.384 2.336 -1.636) 4.425 6.358 ( 3.277 2.157 0.016) 3.924 6.429 ( 2.834 4.039 3.073) 5.812 6.763 ( 3.607 -3.664 -0.522) 5.168 6.833 ( -2.266 -1.689 -0.882) 2.961 6.979 ( -2.959 0.924 0.079) 3.101 7.084 ( -0.842 0.795 1.204) 1.670 7.897 ( -0.876 -0.821 2.448) 2.726 7.939 ( -2.458 0.155 2.216) 3.313 8.128 ( 0.519 -7.367 4.551) 8.675 8.209 ( -4.825 -1.929 1.537) 5.419 8.335 ( -4.463 -4.499 0.995) 6.415 8.379 ( -5.206 -2.589 -0.989) 5.898 8.656 ( 2.599 -3.451 -0.411) 4.339 8.806 ( -2.640 2.956 0.987) 4.084 8.985 ( 6.246 1.271 -3.311) 7.183 9.216 ( 1.097 2.922 0.598) 3.178 9.279 ( 0.992 -1.953 -3.790) 4.377 9.363 ( -2.553 3.647 -1.321) 4.644 ======================= Grid point 140 (47/75) ======================= q-point: (-0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 3.623 -0.286 -1.651) 3.992 1.756 ( 3.486 -1.970 -1.932) 4.446 1.904 ( 5.024 -1.592 3.669) 6.422 2.009 ( -1.317 -1.697 -3.099) 3.771 2.175 ( -1.237 1.731 2.950) 3.637 2.291 ( -1.948 -0.335 -2.013) 2.821 2.501 ( -4.275 -0.008 0.221) 4.280 2.563 ( -2.427 1.187 1.676) 3.180 2.664 ( -2.075 -2.436 -1.554) 3.558 2.753 ( -2.613 -0.087 3.645) 4.486 2.892 ( -1.672 -1.729 1.227) 2.700 2.984 ( -3.252 -1.590 1.338) 3.859 3.296 ( 1.783 -0.115 1.087) 2.091 3.404 ( 7.026 -0.836 -0.205) 7.079 3.454 ( -1.058 -0.026 -3.644) 3.794 3.523 ( 2.576 -0.723 -3.843) 4.683 3.723 ( -3.082 2.230 5.041) 6.315 3.993 ( 0.611 0.795 0.946) 1.378 5.734 ( 3.095 1.295 -0.517) 3.395 5.796 ( 1.824 0.570 -1.208) 2.261 5.884 ( 5.010 3.387 -4.136) 7.326 6.027 ( 2.087 4.140 -2.728) 5.379 6.213 ( 3.526 -0.021 -1.525) 3.842 6.250 ( 1.809 -0.326 -0.764) 1.990 6.395 ( 1.432 2.129 1.927) 3.209 6.499 ( 1.537 2.399 0.356) 2.872 6.708 ( 0.943 -1.818 -2.675) 3.369 6.827 ( 0.362 -0.912 4.156) 4.270 6.994 ( -1.411 0.608 -1.695) 2.288 7.113 ( -1.721 2.157 0.796) 2.872 7.933 ( -2.606 -1.096 3.760) 4.704 7.991 ( -2.703 0.528 4.725) 5.469 8.096 ( 0.496 -4.469 2.936) 5.371 8.131 ( -2.813 -4.448 -2.148) 5.684 8.293 ( -6.407 -2.673 -1.951) 7.211 8.400 ( -3.477 -0.002 5.106) 6.178 8.613 ( 1.848 -1.746 -0.825) 2.672 8.849 ( 1.263 1.476 0.661) 2.052 8.964 ( 5.321 1.039 -2.162) 5.836 9.200 ( 0.086 -0.871 -3.520) 3.627 9.224 ( -0.324 0.238 -2.150) 2.187 9.420 ( -1.402 3.516 1.177) 3.964 ======================= Grid point 141 (48/75) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -1.681 -0.000 -7.557) 7.742 1.641 ( -5.050 -0.000 -9.889) 11.104 1.948 ( 3.860 0.000 1.493) 4.138 2.008 ( 5.801 0.000 5.881) 8.261 2.215 ( -1.161 -0.000 0.474) 1.254 2.276 ( -0.658 0.000 1.279) 1.438 2.481 ( -5.395 -0.000 -3.423) 6.390 2.577 ( -4.817 -0.000 -1.299) 4.989 2.665 ( 2.208 0.000 4.312) 4.845 2.809 ( -2.109 -0.000 0.939) 2.308 2.905 ( -0.671 0.000 4.948) 4.994 2.991 ( -1.857 -0.000 0.992) 2.105 3.219 ( -7.664 -0.000 -16.985) 18.634 3.280 ( -1.956 -0.000 -2.412) 3.105 3.477 ( 4.797 0.000 2.226) 5.288 3.567 ( 9.430 0.000 7.178) 11.851 3.804 ( -2.091 0.000 4.360) 4.835 4.001 ( 0.972 0.000 -0.685) 1.189 5.739 ( 3.078 0.000 -0.187) 3.083 5.781 ( 3.641 0.000 -1.247) 3.848 5.854 ( 3.066 0.000 -3.318) 4.518 6.029 ( 0.898 -0.000 -1.502) 1.750 6.179 ( 4.937 0.000 -2.136) 5.379 6.241 ( 0.247 -0.000 -0.441) 0.505 6.446 ( -0.430 0.000 2.008) 2.054 6.501 ( 0.412 -0.000 -2.215) 2.253 6.651 ( -1.149 -0.000 -3.672) 3.847 6.902 ( 0.530 0.000 6.242) 6.265 6.948 ( 0.464 -0.000 -3.746) 3.774 7.150 ( -1.397 -0.000 1.365) 1.953 7.938 ( -3.839 -0.000 -2.091) 4.371 8.051 ( -3.383 -0.000 2.218) 4.045 8.080 ( -1.815 -0.000 -0.394) 1.857 8.102 ( -0.427 0.000 1.075) 1.157 8.273 ( -3.446 0.000 4.453) 5.630 8.455 ( -4.737 -0.000 2.113) 5.187 8.592 ( 1.979 0.000 -0.123) 1.983 8.862 ( 5.346 0.000 -0.191) 5.350 8.952 ( 3.408 0.000 -0.440) 3.436 9.155 ( 0.208 -0.000 -1.894) 1.906 9.202 ( -1.354 -0.000 -1.132) 1.765 9.467 ( -0.148 0.000 1.893) 1.899 ======================= Grid point 148 (49/75) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.399 0.399 -4.693) 4.727 1.796 ( 0.067 0.067 -4.089) 4.091 1.958 ( -0.790 -0.790 -2.302) 2.559 2.048 ( 1.436 1.436 2.822) 3.476 2.122 ( 0.655 0.655 4.416) 4.512 2.282 ( -1.205 -1.205 0.173) 1.714 2.459 ( -3.797 -3.797 -2.207) 5.805 2.538 ( -0.926 -0.926 1.970) 2.365 2.678 ( -1.656 -1.656 -0.234) 2.354 2.722 ( -1.814 -1.814 3.126) 4.044 2.901 ( -1.868 -1.868 4.022) 4.812 2.967 ( -2.702 -2.702 0.109) 3.822 3.307 ( 0.565 0.565 -1.197) 1.440 3.423 ( -2.524 -2.524 -11.377) 11.924 3.470 ( 2.125 2.125 -0.675) 3.080 3.616 ( 2.592 2.592 4.945) 6.156 3.634 ( 0.940 0.940 5.001) 5.175 3.991 ( 0.969 0.969 1.232) 1.843 5.750 ( 2.923 2.923 -0.785) 4.208 5.803 ( 1.211 1.211 0.228) 1.728 5.899 ( 5.131 5.131 -5.134) 8.888 6.007 ( 4.291 4.291 -2.865) 6.711 6.231 ( 0.821 0.821 0.855) 1.442 6.281 ( 2.533 2.533 -0.932) 3.701 6.382 ( 1.907 1.907 -1.731) 3.205 6.490 ( 2.321 2.321 0.619) 3.340 6.742 ( -0.377 -0.377 -3.691) 3.729 6.821 ( -2.088 -2.088 1.869) 3.495 6.992 ( 1.015 1.015 3.688) 3.958 7.073 ( 0.150 0.150 -1.917) 1.929 7.920 ( -2.860 -2.860 5.202) 6.589 7.969 ( -1.081 -1.081 4.426) 4.682 8.123 ( -5.084 -5.084 -1.556) 7.357 8.161 ( -1.341 -1.341 -1.829) 2.635 8.266 ( -6.311 -6.311 3.327) 9.526 8.369 ( -1.525 -1.525 3.206) 3.864 8.652 ( -0.535 -0.535 -1.521) 1.699 8.825 ( 1.621 1.621 2.189) 3.169 9.011 ( 3.942 3.942 -2.669) 6.180 9.201 ( -0.516 -0.516 -2.734) 2.829 9.229 ( -1.041 -1.041 -3.489) 3.787 9.374 ( 2.812 2.812 2.273) 4.581 ======================= Grid point 149 (50/75) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -2.922 -1.039 -10.942) 11.373 1.603 ( -4.716 -3.978 -14.375) 15.643 1.991 ( 2.628 0.160 2.811) 3.852 2.077 ( 1.234 0.229 1.965) 2.332 2.203 ( 2.194 -0.118 4.047) 4.605 2.279 ( -0.586 -0.739 1.810) 2.041 2.405 ( -5.666 -0.296 -1.772) 5.944 2.533 ( -1.958 -1.142 -0.125) 2.270 2.671 ( 0.563 1.549 0.018) 1.648 2.784 ( -1.184 -0.366 4.829) 4.986 2.924 ( 0.307 -2.564 3.666) 4.484 2.966 ( -2.821 -0.572 4.322) 5.193 3.136 ( -6.857 -3.167 -19.527) 20.937 3.263 ( -0.842 -0.339 -4.691) 4.778 3.526 ( 4.008 1.990 1.671) 4.776 3.683 ( 5.880 -1.259 6.661) 8.974 3.761 ( -2.231 2.076 5.689) 6.454 4.011 ( 1.483 1.022 -0.710) 1.936 5.775 ( 3.441 1.611 -0.184) 3.804 5.816 ( 1.820 0.631 0.049) 1.927 5.894 ( 5.947 3.590 -4.692) 8.383 6.021 ( 2.204 3.336 -2.666) 4.806 6.230 ( 0.412 -0.080 -2.378) 2.415 6.276 ( 5.079 -0.955 -0.863) 5.240 6.400 ( -1.767 3.665 -0.629) 4.117 6.502 ( 0.412 0.394 -1.678) 1.772 6.657 ( -0.286 -1.724 -6.398) 6.633 6.858 ( -2.626 0.884 4.206) 5.036 7.014 ( 4.449 -2.097 1.127) 5.045 7.101 ( -2.154 3.333 1.961) 4.427 7.902 ( -4.283 -2.929 -3.209) 6.101 8.010 ( -2.196 -0.331 1.607) 2.741 8.058 ( -3.624 -3.655 0.623) 5.185 8.116 ( -0.765 -0.677 -1.077) 1.484 8.250 ( -4.673 -4.734 7.400) 9.950 8.401 ( -2.869 -0.150 2.244) 3.646 8.624 ( 1.219 -0.690 -0.808) 1.617 8.881 ( 1.256 1.611 2.121) 2.945 9.026 ( 6.233 2.000 -1.204) 6.656 9.159 ( -0.492 -0.706 -1.602) 1.818 9.182 ( -1.463 -0.454 -1.390) 2.068 9.452 ( 1.517 2.774 2.661) 4.133 ======================= Grid point 150 (51/75) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -6.512 -0.000 -16.850) 18.064 1.376 ( -8.267 -0.000 -14.732) 16.893 2.011 ( 2.508 0.000 0.658) 2.593 2.105 ( -3.431 -0.000 1.071) 3.594 2.257 ( 3.246 0.000 4.197) 5.305 2.265 ( -1.370 -0.000 -5.350) 5.522 2.378 ( -2.132 -0.000 -1.344) 2.521 2.513 ( 0.058 -0.000 -1.305) 1.306 2.701 ( -2.886 -0.000 -2.656) 3.922 2.776 ( -2.670 -0.000 -3.147) 4.127 2.882 ( -4.078 -0.000 -5.279) 6.670 2.971 ( 1.064 0.000 0.687) 1.267 3.055 ( -0.132 0.000 8.138) 8.139 3.202 ( -3.340 -0.000 -2.447) 4.141 3.567 ( 3.765 0.000 2.401) 4.466 3.756 ( 4.836 0.000 4.977) 6.939 3.832 ( -0.949 0.000 2.584) 2.753 3.995 ( 1.021 -0.000 -2.473) 2.676 5.781 ( 3.472 0.000 -0.347) 3.489 5.829 ( 1.806 0.000 0.796) 1.973 5.859 ( 6.227 0.000 -3.568) 7.177 6.023 ( 0.655 0.000 -0.675) 0.940 6.178 ( -0.864 -0.000 -3.732) 3.831 6.262 ( 4.683 0.000 -0.504) 4.710 6.428 ( -2.209 -0.000 -1.022) 2.434 6.458 ( -0.354 -0.000 -4.179) 4.194 6.539 ( -3.518 -0.000 -8.172) 8.897 6.929 ( 0.420 0.000 4.789) 4.808 7.031 ( 4.502 0.000 3.387) 5.633 7.153 ( -1.438 0.000 1.950) 2.423 7.809 ( -5.460 -0.000 -6.360) 8.382 7.961 ( -2.318 -0.000 -6.133) 6.557 8.022 ( -5.614 -0.000 -2.586) 6.181 8.121 ( -0.398 0.000 2.241) 2.276 8.363 ( -2.019 0.000 10.619) 10.810 8.421 ( -2.556 -0.000 2.322) 3.453 8.616 ( 0.906 0.000 0.169) 0.922 8.918 ( 1.994 0.000 1.593) 2.552 9.027 ( 7.183 0.000 -0.623) 7.210 9.147 ( 0.283 0.000 0.512) 0.585 9.178 ( -1.562 -0.000 0.907) 1.806 9.509 ( 1.245 0.000 2.546) 2.835 ======================= Grid point 158 (52/75) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -4.234 -4.234 -16.927) 17.955 1.308 ( -4.741 -4.741 -18.361) 19.546 2.042 ( -2.801 -2.801 -3.329) 5.174 2.051 ( 0.461 0.461 2.187) 2.282 2.259 ( -0.334 -0.334 -7.076) 7.092 2.312 ( 0.822 0.822 4.049) 4.213 2.333 ( -0.916 -0.916 0.531) 1.400 2.558 ( 2.098 2.098 3.622) 4.682 2.623 ( 1.090 1.090 -9.390) 9.516 2.812 ( -4.022 -4.022 3.497) 6.677 2.815 ( -4.355 -4.355 -9.924) 11.680 2.992 ( 2.769 2.769 3.098) 4.993 3.052 ( -0.095 -0.095 8.638) 8.639 3.175 ( -2.325 -2.325 -3.203) 4.590 3.594 ( 1.979 1.979 2.200) 3.560 3.803 ( 0.832 0.832 3.651) 3.836 3.811 ( 0.177 0.177 4.192) 4.200 4.003 ( 0.942 0.942 -3.186) 3.454 5.814 ( 2.044 2.044 -0.168) 2.896 5.832 ( 1.053 1.053 -0.648) 1.625 5.921 ( 5.075 5.075 -3.084) 7.812 6.017 ( 1.634 1.634 -1.316) 2.659 6.164 ( -2.477 -2.477 -4.275) 5.527 6.328 ( 3.044 3.044 -1.378) 4.519 6.371 ( 1.086 1.086 -1.525) 2.164 6.467 ( -0.896 -0.896 -2.907) 3.171 6.512 ( -2.909 -2.909 -10.027) 10.838 6.930 ( 0.503 0.503 7.523) 7.557 7.085 ( 2.307 2.307 1.450) 3.570 7.123 ( 0.106 0.106 3.344) 3.347 7.765 ( -3.647 -3.647 -6.858) 8.581 7.958 ( -1.276 -1.276 -5.371) 5.666 7.980 ( -3.382 -3.382 -5.153) 7.030 8.114 ( -0.643 -0.643 2.334) 2.505 8.350 ( -3.314 -3.314 14.080) 14.840 8.399 ( -0.620 -0.620 1.011) 1.339 8.624 ( 0.195 0.195 -0.413) 0.496 8.928 ( 0.900 0.900 2.022) 2.389 9.086 ( 3.921 3.921 -0.380) 5.558 9.152 ( -0.160 -0.160 1.094) 1.117 9.163 ( -0.690 -0.690 1.088) 1.461 9.514 ( 1.837 1.837 2.470) 3.585 ======================= Grid point 159 (53/75) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -5.705 -0.000 -20.603) 21.378 1.019 ( -8.816 -0.000 -19.647) 21.534 1.814 ( -8.618 -0.000 -27.642) 28.954 2.077 ( 0.473 0.000 1.135) 1.230 2.156 ( 1.569 -0.000 -3.546) 3.877 2.340 ( 0.460 0.000 2.276) 2.322 2.358 ( -2.038 -0.000 1.135) 2.333 2.498 ( 0.641 -0.000 -5.238) 5.277 2.661 ( 4.137 0.000 4.080) 5.811 2.739 ( -0.738 -0.000 0.284) 0.791 2.832 ( -6.462 -0.000 4.860) 8.086 2.985 ( 2.618 -0.000 -6.208) 6.738 3.181 ( 0.125 0.000 9.218) 9.219 3.189 ( -1.033 0.000 6.824) 6.902 3.640 ( 1.903 0.000 2.529) 3.165 3.838 ( 1.521 0.000 1.271) 1.982 3.845 ( 0.555 0.000 -0.333) 0.647 3.951 ( -0.562 -0.000 -4.688) 4.722 5.815 ( 2.337 0.000 -0.928) 2.515 5.830 ( 0.480 -0.000 -1.397) 1.477 5.927 ( 6.102 0.000 -1.498) 6.283 6.031 ( 0.365 0.000 0.843) 0.919 6.089 ( -4.442 -0.000 -2.426) 5.061 6.303 ( 1.496 -0.000 -5.851) 6.039 6.340 ( -0.404 -0.000 -6.390) 6.403 6.386 ( -0.934 -0.000 -1.955) 2.166 6.414 ( -1.948 -0.000 -3.712) 4.192 7.044 ( 2.764 0.000 7.679) 8.161 7.125 ( 3.505 0.000 2.118) 4.095 7.164 ( -1.117 0.000 2.100) 2.378 7.647 ( -4.561 -0.000 -6.419) 7.874 7.849 ( -0.891 -0.000 -6.861) 6.918 7.878 ( -4.894 -0.000 -6.313) 7.988 8.140 ( -1.240 0.000 1.845) 2.223 8.405 ( 0.258 0.000 0.526) 0.586 8.520 ( -2.491 0.000 13.213) 13.446 8.624 ( 0.139 0.000 0.241) 0.279 8.956 ( 0.648 0.000 1.353) 1.501 9.110 ( 5.856 0.000 -0.496) 5.877 9.175 ( 0.667 0.000 2.175) 2.275 9.187 ( -0.793 0.000 2.460) 2.585 9.558 ( 1.275 0.000 1.923) 2.307 ======================= Grid point 168 (54/75) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -0.000 -0.000 -23.107) 23.107 0.647 ( -0.000 -0.000 -23.107) 23.107 1.247 ( -0.000 -0.000 -42.041) 42.041 2.095 ( 0.000 0.000 0.823) 0.823 2.159 ( 0.000 0.000 0.916) 0.916 2.357 ( 0.000 0.000 0.720) 0.720 2.357 ( 0.000 0.000 0.720) 0.720 2.448 ( -0.000 -0.000 -2.781) 2.781 2.742 ( 0.000 0.000 0.702) 0.702 2.742 ( 0.000 0.000 0.702) 0.702 2.886 ( 0.000 0.000 9.712) 9.712 2.907 ( -0.000 -0.000 -5.836) 5.836 3.298 ( 0.000 0.000 7.749) 7.749 3.298 ( 0.000 0.000 7.749) 7.749 3.689 ( 0.000 0.000 2.465) 2.465 3.845 ( -0.000 -0.000 -1.329) 1.329 3.845 ( -0.000 -0.000 -1.329) 1.329 3.852 ( -0.000 -0.000 -7.390) 7.390 5.814 ( -0.000 -0.000 -1.301) 1.301 5.814 ( -0.000 -0.000 -1.301) 1.301 5.921 ( -0.000 -0.000 -4.307) 4.307 6.056 ( 0.000 0.000 2.057) 2.057 6.056 ( 0.000 0.000 2.057) 2.057 6.153 ( -0.000 -0.000 -8.736) 8.736 6.325 ( -0.000 -0.000 -3.652) 3.652 6.350 ( -0.000 -0.000 -2.491) 2.491 6.350 ( -0.000 -0.000 -2.491) 2.491 7.171 ( 0.000 0.000 0.725) 0.725 7.171 ( 0.000 0.000 0.725) 0.725 7.187 ( 0.000 0.000 8.337) 8.337 7.533 ( -0.000 -0.000 -4.906) 4.906 7.757 ( -0.000 -0.000 -5.330) 5.330 7.757 ( -0.000 -0.000 -5.330) 5.330 8.142 ( 0.000 0.000 0.022) 0.022 8.417 ( 0.000 0.000 0.792) 0.792 8.631 ( 0.000 0.000 0.635) 0.635 8.668 ( 0.000 0.000 10.651) 10.651 8.979 ( 0.000 0.000 1.455) 1.455 9.155 ( -0.000 -0.000 -0.512) 0.512 9.212 ( 0.000 0.000 2.164) 2.164 9.212 ( 0.000 0.000 2.164) 2.164 9.589 ( 0.000 0.000 1.122) 1.122 ======================= Grid point 189 (55/75) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.015 2.015 1.136) 3.067 1.729 ( 1.483 1.483 3.620) 4.184 2.055 ( 1.395 1.395 2.570) 3.240 2.073 ( 0.720 0.720 -2.109) 2.341 2.249 ( 0.405 0.405 2.598) 2.660 2.254 ( -0.039 -0.039 0.663) 0.666 2.410 ( -2.148 -2.148 -3.551) 4.673 2.416 ( -1.997 -1.997 -2.438) 3.731 2.870 ( 2.855 2.855 1.084) 4.181 2.887 ( 1.203 1.203 -0.638) 1.816 3.065 ( -0.281 -0.281 -0.185) 0.438 3.076 ( -0.688 -0.688 0.699) 1.198 3.256 ( 1.262 1.262 0.444) 1.839 3.283 ( 0.401 0.401 0.409) 0.699 3.493 ( 6.683 6.683 7.996) 12.380 3.655 ( -3.317 -3.317 0.384) 4.707 3.763 ( -0.498 -0.498 -6.069) 6.110 3.794 ( -3.566 -3.566 -0.252) 5.049 5.677 ( 0.297 0.297 1.931) 1.977 5.698 ( -1.217 -1.217 3.172) 3.608 5.719 ( 0.456 0.456 -2.987) 3.056 5.767 ( -2.870 -2.870 -3.589) 5.419 6.197 ( 0.271 0.271 1.238) 1.296 6.203 ( 0.085 0.085 0.925) 0.933 6.304 ( -0.093 -0.093 -0.290) 0.318 6.336 ( -2.209 -2.209 0.343) 3.143 6.771 ( 3.852 3.852 1.118) 5.561 6.868 ( -2.859 -2.859 -0.404) 4.064 6.987 ( 0.154 0.154 -0.122) 0.250 7.001 ( -1.089 -1.089 -2.692) 3.102 8.100 ( 2.475 2.475 7.748) 8.502 8.119 ( 0.720 0.720 6.444) 6.524 8.232 ( 0.790 0.790 -5.874) 5.979 8.255 ( -1.280 -1.280 -6.373) 6.625 8.511 ( 3.793 3.793 2.438) 5.892 8.611 ( -2.264 -2.264 5.839) 6.659 8.686 ( 1.326 1.326 -3.357) 3.845 8.693 ( 0.940 0.940 -1.814) 2.249 8.971 ( 2.643 2.643 -1.726) 4.117 9.093 ( -4.620 -4.620 3.326) 7.332 9.185 ( 0.291 0.291 -1.204) 1.272 9.206 ( -1.847 -1.847 -3.917) 4.708 ======================= Grid point 194 (56/75) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 18.682 0.000 -0.000) 18.682 1.208 ( 18.877 0.000 -0.000) 18.877 1.879 ( 1.922 0.000 -0.000) 1.922 1.917 ( 3.940 0.000 -0.000) 3.940 2.337 ( 17.616 0.000 -0.000) 17.616 2.386 ( -0.661 -0.000 0.000) 0.661 2.405 ( -0.948 -0.000 0.000) 0.948 2.466 ( -4.274 -0.000 0.000) 4.274 2.689 ( 4.586 0.000 -0.000) 4.586 2.750 ( -1.249 -0.000 0.000) 1.249 2.818 ( 1.097 0.000 -0.000) 1.097 3.092 ( -9.052 -0.000 0.000) 9.052 3.202 ( 7.444 0.000 -0.000) 7.444 3.239 ( -10.928 -0.000 0.000) 10.928 3.526 ( -5.135 -0.000 0.000) 5.135 3.679 ( -0.142 -0.000 0.000) 0.142 3.794 ( 1.277 0.000 -0.000) 1.277 3.951 ( -0.657 -0.000 0.000) 0.657 5.724 ( -0.712 -0.000 0.000) 0.712 5.829 ( 2.364 0.000 -0.000) 2.364 5.877 ( -1.805 -0.000 0.000) 1.805 6.155 ( 3.850 0.000 -0.000) 3.850 6.186 ( -0.886 -0.000 0.000) 0.886 6.269 ( 3.366 0.000 -0.000) 3.366 6.324 ( 0.159 0.000 -0.000) 0.159 6.352 ( 1.479 0.000 -0.000) 1.479 6.428 ( 8.075 0.000 -0.000) 8.075 6.971 ( -3.832 -0.000 0.000) 3.832 7.022 ( -3.494 -0.000 0.000) 3.494 7.129 ( -2.994 -0.000 0.000) 2.994 7.831 ( 3.493 0.000 -0.000) 3.493 7.860 ( 8.819 0.000 -0.000) 8.819 8.096 ( -10.636 -0.000 0.000) 10.636 8.191 ( -0.722 -0.000 0.000) 0.722 8.235 ( 2.941 0.000 -0.000) 2.941 8.484 ( 0.051 0.000 -0.000) 0.051 8.622 ( -6.065 -0.000 0.000) 6.065 8.699 ( 7.419 0.000 -0.000) 7.419 9.061 ( -5.705 -0.000 0.000) 5.705 9.259 ( 1.360 0.000 -0.000) 1.360 9.281 ( 1.007 0.000 -0.000) 1.007 9.558 ( -3.423 -0.000 0.000) 3.423 ======================= Grid point 203 (57/75) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 15.496 -3.417 -0.000) 15.868 1.471 ( 15.647 -3.212 -0.000) 15.973 1.837 ( -2.179 0.694 0.000) 2.287 2.010 ( 2.455 -3.277 -0.000) 4.094 2.302 ( -5.120 6.193 0.000) 8.035 2.393 ( -1.870 -2.410 -0.000) 3.051 2.449 ( -2.083 -2.880 -0.000) 3.554 2.512 ( 4.993 0.999 -0.000) 5.092 2.734 ( 0.310 -2.969 -0.000) 2.986 2.807 ( 6.902 0.202 -0.000) 6.905 2.871 ( 3.189 -2.648 -0.000) 4.146 2.975 ( -6.273 -1.848 0.000) 6.540 3.085 ( -7.391 3.080 0.000) 8.007 3.305 ( 6.089 -0.848 -0.000) 6.148 3.453 ( -3.574 1.520 0.000) 3.884 3.661 ( -1.438 1.343 0.000) 1.967 3.813 ( 0.383 -0.930 -0.000) 1.006 3.927 ( -1.754 0.852 0.000) 1.951 5.719 ( 1.574 1.266 -0.000) 2.020 5.833 ( -1.000 2.608 0.000) 2.794 5.872 ( 5.483 1.993 -0.000) 5.834 6.121 ( 0.066 6.189 0.000) 6.189 6.212 ( 2.917 0.239 -0.000) 2.926 6.312 ( 3.205 2.380 -0.000) 3.992 6.318 ( 2.183 1.734 -0.000) 2.787 6.354 ( 3.306 3.363 0.000) 4.715 6.589 ( 7.186 -6.304 -0.000) 9.559 6.929 ( -2.949 -0.634 0.000) 3.016 6.983 ( -2.997 -0.871 0.000) 3.121 7.079 ( -3.379 0.731 0.000) 3.457 7.882 ( 4.918 5.170 0.000) 7.135 7.909 ( -2.796 -7.076 -0.000) 7.609 8.073 ( -1.611 -4.630 -0.000) 4.902 8.125 ( -3.307 3.013 0.000) 4.474 8.286 ( -2.510 -6.464 -0.000) 6.934 8.474 ( -4.930 -1.688 0.000) 5.211 8.576 ( 0.565 -0.991 -0.000) 1.141 8.820 ( 7.122 -0.494 -0.000) 7.139 8.984 ( -2.279 1.587 0.000) 2.777 9.249 ( -0.178 2.558 0.000) 2.564 9.306 ( 1.143 -1.143 -0.000) 1.617 9.482 ( -4.279 2.663 0.000) 5.040 ======================= Grid point 204 (58/75) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 16.209 0.000 3.422) 16.567 1.483 ( 15.381 0.000 4.861) 16.131 1.846 ( -2.055 -0.000 0.542) 2.125 2.004 ( 2.491 0.000 2.726) 3.692 2.308 ( -5.247 -0.000 -5.799) 7.820 2.382 ( -1.632 -0.000 0.214) 1.646 2.432 ( -0.762 0.000 1.524) 1.704 2.553 ( 4.076 0.000 4.055) 5.750 2.698 ( -4.090 -0.000 -1.203) 4.264 2.791 ( 4.732 0.000 -3.282) 5.759 2.868 ( 7.621 0.000 2.786) 8.114 2.973 ( -7.272 -0.000 1.124) 7.358 3.108 ( -5.097 -0.000 0.504) 5.121 3.303 ( 5.706 0.000 0.529) 5.730 3.468 ( -2.601 -0.000 0.330) 2.622 3.675 ( -1.780 -0.000 1.271) 2.187 3.776 ( -0.704 -0.000 -4.309) 4.366 3.950 ( -1.076 0.000 2.024) 2.292 5.725 ( 1.190 0.000 -0.320) 1.232 5.835 ( -0.126 -0.000 -1.315) 1.321 5.894 ( 4.418 0.000 -0.067) 4.418 6.149 ( 1.403 -0.000 -4.268) 4.492 6.202 ( 1.227 0.000 0.620) 1.375 6.281 ( 2.839 0.000 -2.965) 4.104 6.343 ( 3.716 0.000 -2.629) 4.553 6.412 ( 3.195 0.000 4.734) 5.711 6.569 ( 7.392 0.000 3.960) 8.386 6.875 ( -3.448 -0.000 -4.524) 5.688 7.026 ( -2.712 0.000 4.108) 4.923 7.091 ( -3.156 -0.000 1.075) 3.334 7.888 ( -0.540 0.000 4.681) 4.712 7.938 ( 4.267 0.000 -3.010) 5.222 7.990 ( -3.759 -0.000 0.602) 3.807 8.169 ( -1.828 -0.000 -0.490) 1.892 8.265 ( -3.268 0.000 5.118) 6.073 8.455 ( -5.811 -0.000 -1.264) 5.946 8.572 ( 0.574 0.000 0.553) 0.797 8.808 ( 7.974 0.000 -1.066) 8.045 8.993 ( -2.841 -0.000 -0.432) 2.873 9.263 ( 0.168 -0.000 -0.555) 0.580 9.281 ( 1.115 -0.000 -2.405) 2.651 9.496 ( -4.570 -0.000 -0.740) 4.629 ======================= Grid point 212 (59/75) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 9.718 -1.073 -0.000) 9.777 1.671 ( 6.568 0.733 -0.000) 6.608 1.840 ( 5.371 -1.721 -0.000) 5.640 2.003 ( -3.893 6.581 0.000) 7.647 2.227 ( 1.160 -3.898 -0.000) 4.067 2.345 ( -5.437 3.009 0.000) 6.214 2.483 ( -1.049 -5.396 -0.000) 5.497 2.524 ( -3.442 -2.703 0.000) 4.377 2.746 ( -5.865 -6.387 -0.000) 8.671 2.799 ( -10.003 -2.448 0.000) 10.298 2.893 ( 5.242 -0.111 -0.000) 5.243 2.972 ( -2.247 4.254 0.000) 4.811 3.130 ( 10.792 -5.319 -0.000) 12.032 3.305 ( -4.680 4.066 0.000) 6.199 3.467 ( 7.899 -0.389 -0.000) 7.909 3.589 ( -2.000 5.981 0.000) 6.306 3.840 ( 0.430 -2.445 -0.000) 2.482 3.885 ( -2.481 0.958 0.000) 2.659 5.736 ( 3.648 1.420 -0.000) 3.915 5.778 ( 0.626 4.473 0.000) 4.516 5.938 ( 7.132 1.148 -0.000) 7.224 6.028 ( 0.634 7.736 0.000) 7.762 6.245 ( 3.745 1.238 -0.000) 3.945 6.283 ( 1.282 4.200 0.000) 4.391 6.341 ( 4.274 2.985 -0.000) 5.213 6.353 ( 3.852 4.253 0.000) 5.738 6.761 ( 4.462 -6.614 -0.000) 7.979 6.879 ( -4.735 1.359 0.000) 4.926 6.981 ( -0.840 -2.924 -0.000) 3.042 7.025 ( -3.528 0.272 0.000) 3.538 7.883 ( 2.267 -1.119 -0.000) 2.528 7.962 ( -3.148 1.981 0.000) 3.719 8.038 ( -0.798 -4.842 -0.000) 4.908 8.105 ( -4.458 -1.688 0.000) 4.767 8.345 ( -3.219 -7.883 -0.000) 8.515 8.411 ( -7.632 -2.608 0.000) 8.065 8.658 ( 5.030 -4.107 -0.000) 6.493 8.791 ( -5.235 3.820 0.000) 6.481 9.051 ( 9.603 -0.891 -0.000) 9.645 9.181 ( -0.918 6.656 0.000) 6.719 9.339 ( 0.633 -2.199 -0.000) 2.288 9.393 ( -3.546 1.847 0.000) 3.998 ======================= Grid point 213 (60/75) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 12.644 -0.416 1.604) 12.752 1.683 ( 11.416 -0.837 2.926) 11.814 1.845 ( 2.700 -0.040 1.141) 2.932 2.047 ( 1.132 -1.684 1.863) 2.755 2.206 ( -5.003 3.100 -4.278) 7.277 2.340 ( -3.444 0.250 -1.000) 3.595 2.454 ( -2.271 -4.617 3.231) 6.075 2.510 ( -3.725 2.509 0.654) 4.538 2.661 ( -7.647 -5.854 0.321) 9.636 2.758 ( -9.195 -1.719 -1.703) 9.508 2.900 ( 1.937 1.948 -0.501) 2.792 2.985 ( 0.041 -0.690 -2.425) 2.521 3.136 ( 9.683 -0.861 6.821) 11.875 3.349 ( 0.410 0.489 1.670) 1.787 3.475 ( 5.636 1.545 -0.138) 5.845 3.639 ( -2.300 1.446 0.356) 2.740 3.767 ( -1.156 -0.796 -6.015) 6.176 3.929 ( -1.106 0.719 3.100) 3.369 5.747 ( 2.772 0.670 -0.297) 2.868 5.820 ( -0.242 1.832 -0.428) 1.897 5.955 ( 6.987 1.966 -0.554) 7.279 6.113 ( 0.527 5.574 -1.618) 5.828 6.229 ( 2.788 1.305 -2.765) 4.138 6.316 ( 3.924 1.754 -2.119) 4.792 6.395 ( 5.319 2.307 -1.990) 6.130 6.432 ( 3.694 3.628 4.365) 6.772 6.688 ( 4.865 -4.608 2.415) 7.123 6.844 ( -2.997 -1.640 -4.085) 5.326 6.981 ( -3.367 0.708 2.573) 4.296 7.049 ( -2.793 -0.317 2.874) 4.020 7.867 ( -2.795 -1.854 1.986) 3.898 7.956 ( 0.875 -0.613 -1.533) 1.869 7.991 ( -1.649 -0.899 -0.222) 1.891 8.151 ( -2.539 -0.824 4.000) 4.808 8.248 ( -3.686 -5.229 2.160) 6.752 8.369 ( -7.697 -1.755 -1.534) 8.042 8.621 ( 4.318 -1.702 0.128) 4.643 8.834 ( -2.691 1.980 0.327) 3.357 9.030 ( 8.000 0.123 -1.974) 8.241 9.248 ( -0.009 2.231 0.237) 2.244 9.298 ( 0.142 -1.395 -2.296) 2.690 9.414 ( -4.585 2.062 -0.501) 5.052 ======================= Grid point 214 (61/75) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 10.938 0.000 1.475) 11.037 1.728 ( 10.242 0.000 3.585) 10.852 1.855 ( 2.833 0.000 1.164) 3.063 2.045 ( -0.913 -0.000 -1.261) 1.557 2.165 ( -3.435 -0.000 -1.782) 3.870 2.334 ( -3.310 -0.000 -3.149) 4.568 2.457 ( -2.055 0.000 4.020) 4.515 2.568 ( -6.434 -0.000 0.336) 6.443 2.635 ( -4.848 -0.000 4.519) 6.627 2.713 ( -4.109 -0.000 -2.207) 4.664 2.912 ( -1.311 -0.000 -2.477) 2.803 2.948 ( -1.619 -0.000 1.102) 1.959 3.234 ( 8.677 0.000 7.085) 11.202 3.369 ( 4.342 0.000 1.466) 4.582 3.485 ( 3.811 0.000 -0.627) 3.862 3.633 ( -3.144 -0.000 -6.777) 7.471 3.688 ( -2.671 -0.000 0.007) 2.671 3.974 ( -0.115 0.000 2.504) 2.507 5.748 ( 2.757 0.000 -0.354) 2.780 5.819 ( 0.630 -0.000 -1.209) 1.363 5.958 ( 6.543 0.000 -2.133) 6.882 6.107 ( 1.960 -0.000 -4.500) 4.909 6.226 ( 1.302 0.000 0.426) 1.370 6.279 ( 4.269 0.000 -4.286) 6.049 6.386 ( 4.299 0.000 0.398) 4.318 6.502 ( 2.249 0.000 2.098) 3.076 6.708 ( 4.497 0.000 2.430) 5.111 6.782 ( -2.377 -0.000 -1.198) 2.662 7.018 ( -2.916 -0.000 0.254) 2.927 7.091 ( -2.223 0.000 3.593) 4.225 7.902 ( -4.476 -0.000 0.984) 4.583 7.928 ( -2.080 0.000 3.950) 4.464 8.017 ( 2.236 0.000 2.788) 3.574 8.120 ( -2.746 -0.000 -2.007) 3.401 8.305 ( -4.627 -0.000 4.145) 6.212 8.329 ( -5.978 -0.000 -0.202) 5.982 8.610 ( 2.999 0.000 -0.248) 3.010 8.852 ( 0.129 0.000 0.442) 0.460 9.001 ( 6.153 0.000 -2.369) 6.593 9.243 ( -0.101 -0.000 -3.422) 3.424 9.253 ( -0.160 -0.000 -1.769) 1.777 9.431 ( -3.603 -0.000 0.516) 3.640 ======================= Grid point 221 (62/75) ======================= q-point: ( 0.56 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.513 4.513 -0.528) 6.404 1.743 ( 4.871 4.871 2.116) 7.206 1.956 ( 2.525 2.525 2.096) 4.141 1.979 ( 2.481 2.481 2.916) 4.562 2.197 ( -2.898 -2.898 -6.396) 7.596 2.275 ( -1.917 -1.917 0.607) 2.778 2.452 ( -3.203 -3.203 1.706) 4.841 2.492 ( -3.669 -3.669 1.628) 5.438 2.647 ( -7.780 -7.780 0.102) 11.003 2.684 ( -6.403 -6.403 1.291) 9.146 2.910 ( 1.789 1.789 -3.551) 4.360 2.977 ( 0.596 0.596 0.035) 0.843 3.251 ( 2.188 2.188 2.314) 3.864 3.315 ( 2.378 2.378 6.135) 6.997 3.555 ( 2.037 2.037 -1.080) 3.076 3.570 ( 2.387 2.387 -0.083) 3.377 3.768 ( -1.159 -1.159 -7.112) 7.299 3.913 ( -0.114 -0.114 4.111) 4.114 5.774 ( 2.093 2.093 -0.816) 3.071 5.792 ( 1.472 1.472 0.524) 2.147 6.025 ( 5.064 5.064 -2.142) 7.475 6.042 ( 3.684 3.684 0.119) 5.211 6.239 ( 2.537 2.537 -3.811) 5.234 6.333 ( 3.900 3.900 -1.416) 5.694 6.415 ( 4.338 4.338 -0.132) 6.137 6.428 ( 4.353 4.353 3.300) 6.985 6.800 ( -1.589 -1.589 -0.784) 2.381 6.804 ( -1.659 -1.659 -0.056) 2.348 6.943 ( -2.227 -2.227 -0.865) 3.266 7.031 ( -1.268 -1.268 4.360) 4.715 7.896 ( -0.682 -0.682 -0.035) 0.966 7.898 ( -1.179 -1.179 -3.259) 3.661 8.036 ( -3.994 -3.994 4.144) 7.006 8.115 ( -0.875 -0.875 5.347) 5.488 8.285 ( -5.793 -5.793 -1.928) 8.416 8.310 ( -4.672 -4.672 0.560) 6.631 8.700 ( 0.197 0.197 -1.965) 1.985 8.761 ( 1.135 1.135 2.471) 2.947 9.111 ( 3.346 3.346 -4.319) 6.407 9.217 ( 2.668 2.668 2.622) 4.595 9.323 ( -1.399 -1.399 -2.529) 3.211 9.346 ( -0.882 -0.882 -0.335) 1.291 ======================= Grid point 223 (63/75) ======================= q-point: (-0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 5.919 2.352 -3.521) 7.278 1.826 ( 5.476 2.035 0.605) 5.873 1.955 ( 7.686 -3.061 1.623) 8.431 2.043 ( -1.392 -1.350 -4.918) 5.286 2.113 ( -1.451 3.501 2.952) 4.804 2.265 ( -4.961 -0.131 -1.083) 5.079 2.430 ( -5.964 -3.793 -0.422) 7.081 2.474 ( -4.805 -1.037 3.691) 6.147 2.607 ( -3.664 -3.864 5.386) 7.574 2.655 ( -5.856 -1.934 3.113) 6.908 2.888 ( 0.447 1.539 -2.516) 2.983 2.948 ( -1.245 -1.729 -2.092) 2.986 3.318 ( 4.983 1.655 2.741) 5.923 3.431 ( 4.007 1.028 5.812) 7.133 3.525 ( 1.571 -1.022 -3.848) 4.280 3.606 ( -1.551 0.983 -0.730) 1.976 3.653 ( -0.687 0.225 -5.283) 5.332 3.972 ( 0.670 0.846 3.291) 3.464 5.783 ( 2.872 0.722 -0.268) 2.974 5.817 ( 0.388 1.227 -0.070) 1.289 6.033 ( 7.341 2.907 -3.089) 8.478 6.099 ( 2.012 4.452 -2.344) 5.419 6.237 ( 2.109 1.754 -0.701) 2.831 6.336 ( 4.444 1.416 -3.478) 5.819 6.436 ( 3.666 1.461 -2.328) 4.582 6.511 ( 2.032 2.414 1.184) 3.371 6.758 ( 0.871 -2.291 -2.035) 3.186 6.779 ( -0.828 -1.439 2.054) 2.641 6.963 ( -2.132 1.818 2.614) 3.832 7.067 ( -1.985 -0.937 2.715) 3.491 7.845 ( -3.906 -1.631 0.724) 4.295 7.919 ( -0.173 0.404 2.650) 2.686 8.040 ( -1.697 -3.047 3.486) 4.931 8.127 ( -1.628 -4.801 -0.937) 5.155 8.213 ( -7.438 -0.489 -0.327) 7.461 8.292 ( -3.278 -2.190 4.242) 5.791 8.663 ( 2.776 -0.848 -1.659) 3.344 8.827 ( 0.121 2.487 2.105) 3.261 9.085 ( 5.303 1.165 -3.261) 6.333 9.235 ( -0.772 0.020 -2.611) 2.723 9.256 ( -0.802 -1.620 -3.178) 3.657 9.378 ( -1.026 2.223 2.401) 3.430 ======================= Grid point 224 (64/75) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 2.130 -0.000 -7.873) 8.156 1.744 ( -0.904 -0.000 -10.592) 10.631 1.968 ( 2.719 0.000 1.660) 3.185 2.026 ( 6.160 0.000 3.400) 7.036 2.181 ( -1.194 0.000 1.823) 2.179 2.241 ( -2.522 -0.000 0.490) 2.569 2.418 ( -7.182 -0.000 0.131) 7.183 2.504 ( -5.349 -0.000 2.528) 5.916 2.647 ( 1.065 0.000 3.117) 3.294 2.721 ( -2.672 0.000 6.826) 7.331 2.873 ( 0.164 -0.000 -1.095) 1.107 2.923 ( -3.443 -0.000 1.518) 3.763 3.324 ( 2.367 -0.000 -3.404) 4.146 3.367 ( -5.061 -0.000 -16.031) 16.811 3.512 ( 5.765 0.000 3.977) 7.004 3.597 ( 5.180 0.000 2.588) 5.790 3.693 ( -3.360 0.000 5.831) 6.730 4.013 ( 1.390 0.000 1.550) 2.082 5.787 ( 3.253 0.000 0.014) 3.253 5.822 ( 1.211 0.000 -0.291) 1.245 6.001 ( 7.444 0.000 -5.612) 9.322 6.087 ( 2.569 -0.000 -3.339) 4.213 6.250 ( 0.966 0.000 0.053) 0.968 6.289 ( 5.195 0.000 -3.120) 6.059 6.428 ( 0.317 0.000 -0.253) 0.406 6.525 ( 0.212 -0.000 -0.977) 1.000 6.704 ( 1.700 -0.000 -2.877) 3.342 6.821 ( -1.830 0.000 3.334) 3.803 6.990 ( 0.930 0.000 -0.032) 0.930 7.096 ( -2.943 -0.000 2.230) 3.692 7.874 ( -3.972 -0.000 3.832) 5.519 7.974 ( 0.086 0.000 3.919) 3.920 8.032 ( -4.314 -0.000 -1.023) 4.434 8.086 ( -0.307 0.000 2.440) 2.459 8.188 ( -6.224 -0.000 -1.795) 6.478 8.351 ( -3.500 0.000 4.774) 5.920 8.635 ( 2.605 0.000 -1.507) 3.010 8.871 ( 1.019 0.000 1.680) 1.965 9.058 ( 6.025 0.000 -1.936) 6.328 9.186 ( -0.986 -0.000 -3.238) 3.385 9.206 ( -1.866 -0.000 -2.711) 3.290 9.433 ( 0.102 0.000 2.918) 2.920 ======================= Grid point 232 (65/75) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 1.472 1.472 -10.869) 11.066 1.751 ( -2.242 -2.242 -13.341) 13.713 1.985 ( 1.690 1.690 1.762) 2.970 2.075 ( -0.240 -0.240 -0.427) 0.546 2.180 ( 3.370 3.370 4.989) 6.899 2.230 ( -1.160 -1.160 2.856) 3.294 2.346 ( -3.766 -3.766 0.489) 5.348 2.465 ( -3.886 -3.886 3.595) 6.567 2.669 ( 0.101 0.101 4.754) 4.756 2.686 ( -1.058 -1.058 7.047) 7.204 2.875 ( -0.015 -0.015 1.066) 1.066 2.903 ( -1.651 -1.651 -0.637) 2.420 3.329 ( -3.032 -3.032 -17.300) 17.823 3.344 ( 1.748 1.748 -5.332) 5.877 3.558 ( 3.081 3.081 1.888) 4.749 3.644 ( -0.302 -0.302 6.465) 6.479 3.650 ( -0.039 -0.039 4.684) 4.684 4.024 ( 1.252 1.252 1.755) 2.493 5.813 ( 1.705 1.705 0.069) 2.412 5.828 ( 0.665 0.665 0.431) 1.034 6.055 ( 5.459 5.459 -5.836) 9.677 6.103 ( 2.580 2.580 -3.041) 4.750 6.254 ( 0.964 0.964 -1.111) 1.759 6.350 ( 2.345 2.345 -1.507) 3.643 6.408 ( -0.284 -0.284 -3.160) 3.186 6.523 ( 0.074 0.074 -1.319) 1.323 6.757 ( 1.490 1.490 -5.488) 5.878 6.769 ( -1.469 -1.469 3.675) 4.221 7.015 ( 0.599 0.599 4.550) 4.628 7.056 ( -1.429 -1.429 0.684) 2.133 7.847 ( -2.104 -2.104 4.520) 5.411 7.975 ( 1.602 1.602 2.850) 3.641 8.002 ( -3.397 -3.397 -0.458) 4.826 8.116 ( -2.138 -2.138 -0.990) 3.182 8.117 ( -4.389 -4.389 1.658) 6.425 8.323 ( -1.656 -1.656 4.564) 5.130 8.659 ( 0.824 0.824 -1.973) 2.292 8.878 ( 2.014 2.014 2.014) 3.488 9.102 ( 2.493 2.493 -1.547) 3.850 9.179 ( -0.919 -0.919 -2.978) 3.249 9.191 ( -1.556 -1.556 -2.985) 3.709 9.432 ( 1.405 1.405 3.491) 4.017 ======================= Grid point 233 (66/75) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -2.084 -0.000 -16.300) 16.432 1.516 ( -2.929 -0.000 -16.509) 16.767 2.022 ( 1.552 0.000 1.719) 2.316 2.056 ( -2.910 -0.000 -0.797) 3.017 2.251 ( 4.620 0.000 3.972) 6.093 2.280 ( 0.890 0.000 2.259) 2.428 2.338 ( -4.381 -0.000 0.273) 4.390 2.499 ( -1.225 0.000 5.133) 5.277 2.711 ( 1.940 0.000 0.867) 2.125 2.745 ( -2.205 -0.000 1.369) 2.595 2.922 ( 1.047 0.000 6.628) 6.711 2.937 ( -1.143 0.000 6.369) 6.470 3.025 ( -5.425 -0.000 -21.931) 22.592 3.254 ( -0.264 -0.000 -8.086) 8.090 3.588 ( 2.587 0.000 0.707) 2.682 3.726 ( 2.056 0.000 6.629) 6.940 3.748 ( -1.436 0.000 6.472) 6.629 4.040 ( 1.346 0.000 -0.840) 1.586 5.829 ( 2.354 0.000 0.185) 2.361 5.839 ( 0.871 0.000 0.449) 0.980 6.021 ( 7.129 0.000 -5.464) 8.982 6.070 ( 1.740 -0.000 -3.703) 4.091 6.210 ( -2.413 -0.000 -4.931) 5.490 6.345 ( 5.292 0.000 -0.198) 5.296 6.403 ( -1.952 -0.000 0.153) 1.958 6.491 ( -1.254 -0.000 -2.496) 2.793 6.642 ( -0.327 -0.000 -10.703) 10.708 6.836 ( -1.193 0.000 6.212) 6.325 7.054 ( 3.294 0.000 3.017) 4.467 7.094 ( -2.072 0.000 3.050) 3.687 7.822 ( -3.681 -0.000 -4.926) 6.150 8.002 ( 0.817 0.000 -0.627) 1.030 8.013 ( 0.284 -0.000 -1.142) 1.176 8.089 ( -2.305 -0.000 0.382) 2.337 8.136 ( -5.936 0.000 10.228) 11.826 8.366 ( -1.629 0.000 3.075) 3.480 8.640 ( 1.053 -0.000 -1.475) 1.812 8.916 ( 1.752 0.000 1.379) 2.229 9.111 ( 3.554 0.000 0.034) 3.554 9.145 ( -0.593 -0.000 -0.802) 0.997 9.153 ( -1.662 -0.000 -0.788) 1.839 9.489 ( 1.245 0.000 3.127) 3.366 ======================= Grid point 242 (67/75) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.000 -0.000 -19.932) 19.932 1.240 ( -0.000 -0.000 -19.932) 19.932 1.992 ( -0.000 -0.000 -6.468) 6.468 2.058 ( 0.000 0.000 1.794) 1.794 2.260 ( -0.000 -0.000 -6.700) 6.700 2.322 ( 0.000 0.000 1.853) 1.853 2.322 ( 0.000 0.000 1.853) 1.853 2.612 ( 0.000 0.000 9.554) 9.554 2.663 ( -0.000 -0.000 -19.639) 19.639 2.731 ( -0.000 -0.000 -0.021) 0.021 2.731 ( -0.000 -0.000 -0.021) 0.021 3.052 ( 0.000 0.000 9.608) 9.608 3.052 ( 0.000 0.000 9.608) 9.608 3.124 ( -0.000 -0.000 -9.281) 9.281 3.621 ( 0.000 0.000 1.856) 1.856 3.813 ( 0.000 0.000 4.085) 4.085 3.813 ( 0.000 0.000 4.085) 4.085 4.017 ( -0.000 -0.000 -3.825) 3.825 5.847 ( -0.000 -0.000 -0.424) 0.424 5.847 ( -0.000 -0.000 -0.424) 0.424 6.040 ( -0.000 -0.000 -1.914) 1.914 6.040 ( -0.000 -0.000 -1.914) 1.914 6.083 ( -0.000 -0.000 -7.044) 7.044 6.393 ( -0.000 -0.000 -0.250) 0.250 6.393 ( -0.000 -0.000 -0.250) 0.250 6.432 ( -0.000 -0.000 -3.654) 3.654 6.460 ( -0.000 -0.000 -12.996) 12.996 6.938 ( 0.000 0.000 8.745) 8.745 7.122 ( 0.000 0.000 2.867) 2.867 7.122 ( 0.000 0.000 2.867) 2.867 7.705 ( -0.000 -0.000 -6.983) 6.983 7.945 ( -0.000 -0.000 -6.939) 6.939 7.945 ( -0.000 -0.000 -6.939) 6.939 8.101 ( 0.000 0.000 2.496) 2.496 8.292 ( 0.000 0.000 15.855) 15.855 8.391 ( 0.000 0.000 1.817) 1.817 8.629 ( -0.000 -0.000 -0.854) 0.854 8.943 ( 0.000 0.000 1.014) 1.014 9.147 ( 0.000 0.000 0.922) 0.922 9.149 ( 0.000 0.000 1.657) 1.657 9.149 ( 0.000 0.000 1.657) 1.657 9.539 ( 0.000 0.000 2.595) 2.595 ======================= Grid point 291 (68/75) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 15.399 0.000 -0.000) 15.399 1.654 ( 13.841 0.000 -0.000) 13.841 1.842 ( 2.109 0.000 -0.000) 2.109 2.014 ( 1.702 0.000 -0.000) 1.702 2.310 ( -5.759 -0.000 0.000) 5.759 2.339 ( -2.582 -0.000 0.000) 2.582 2.350 ( -2.681 -0.000 0.000) 2.681 2.547 ( -3.490 -0.000 0.000) 3.490 2.600 ( -9.901 -0.000 0.000) 9.901 2.757 ( -12.673 -0.000 0.000) 12.673 2.917 ( 2.518 0.000 -0.000) 2.518 3.041 ( -2.359 -0.000 0.000) 2.359 3.045 ( 15.010 0.000 -0.000) 15.010 3.340 ( 0.463 0.000 -0.000) 0.463 3.490 ( 5.859 0.000 -0.000) 5.859 3.641 ( -2.131 -0.000 0.000) 2.131 3.809 ( -0.134 -0.000 0.000) 0.134 3.908 ( -1.914 -0.000 0.000) 1.914 5.753 ( 2.409 0.000 -0.000) 2.409 5.836 ( -0.542 -0.000 0.000) 0.542 5.969 ( 6.148 0.000 -0.000) 6.148 6.155 ( -1.303 -0.000 0.000) 1.303 6.273 ( 5.634 0.000 -0.000) 5.634 6.364 ( 2.968 0.000 -0.000) 2.968 6.401 ( 5.881 0.000 -0.000) 5.881 6.456 ( 6.476 0.000 -0.000) 6.476 6.615 ( 4.155 0.000 -0.000) 4.155 6.886 ( -2.742 -0.000 0.000) 2.742 6.932 ( -3.215 -0.000 0.000) 3.215 7.032 ( -4.315 -0.000 0.000) 4.315 7.815 ( -2.611 -0.000 0.000) 2.611 7.972 ( 0.548 0.000 -0.000) 0.548 8.025 ( 1.650 0.000 -0.000) 1.650 8.129 ( -3.594 -0.000 0.000) 3.594 8.160 ( -5.175 -0.000 0.000) 5.175 8.368 ( -8.036 -0.000 0.000) 8.036 8.609 ( 4.800 0.000 -0.000) 4.800 8.846 ( -2.384 -0.000 0.000) 2.384 9.044 ( 8.404 0.000 -0.000) 8.404 9.262 ( -0.432 -0.000 0.000) 0.432 9.304 ( -0.212 -0.000 0.000) 0.212 9.432 ( -5.251 -0.000 0.000) 5.251 ======================= Grid point 300 (69/75) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 11.249 3.345 -0.000) 11.736 1.801 ( 8.179 3.617 -0.000) 8.943 1.910 ( 8.125 -1.830 -0.000) 8.328 2.041 ( -0.113 2.396 0.000) 2.399 2.194 ( -1.492 0.112 0.000) 1.497 2.296 ( -5.847 2.010 0.000) 6.183 2.377 ( -2.561 -6.049 -0.000) 6.569 2.427 ( -6.782 -0.896 0.000) 6.841 2.543 ( -9.210 -7.696 0.000) 12.002 2.593 ( -13.152 -3.719 0.000) 13.667 2.961 ( 4.011 0.383 -0.000) 4.029 3.007 ( -0.214 2.707 0.000) 2.715 3.223 ( 9.063 -1.394 -0.000) 9.170 3.322 ( -0.523 3.477 0.000) 3.516 3.562 ( 4.826 0.338 -0.000) 4.838 3.612 ( -1.688 0.935 0.000) 1.930 3.823 ( 1.385 -1.364 -0.000) 1.944 3.872 ( -1.887 1.621 0.000) 2.488 5.786 ( 2.561 0.087 -0.000) 2.563 5.818 ( -0.294 1.705 0.000) 1.730 6.046 ( 5.830 0.440 -0.000) 5.847 6.114 ( -0.512 3.756 0.000) 3.791 6.341 ( 6.573 2.433 -0.000) 7.009 6.380 ( 3.603 4.748 0.000) 5.960 6.460 ( 6.348 2.972 -0.000) 7.009 6.494 ( 5.646 6.389 0.000) 8.526 6.715 ( 2.420 -6.862 -0.000) 7.276 6.830 ( -4.991 1.627 0.000) 5.250 6.921 ( -1.558 -3.659 -0.000) 3.977 6.970 ( -4.702 -0.255 0.000) 4.709 7.844 ( 1.440 -4.819 -0.000) 5.029 7.957 ( -4.178 3.382 0.000) 5.375 7.998 ( -0.730 -1.319 -0.000) 1.507 8.046 ( -3.028 1.056 0.000) 3.207 8.194 ( -2.820 -7.727 -0.000) 8.225 8.270 ( -8.197 -1.871 0.000) 8.408 8.694 ( 5.689 -1.514 -0.000) 5.887 8.787 ( -2.640 3.257 0.000) 4.192 9.162 ( 7.579 -0.274 -0.000) 7.584 9.238 ( -0.372 2.935 0.000) 2.959 9.308 ( -0.743 -2.127 -0.000) 2.253 9.355 ( -4.431 0.895 0.000) 4.521 ======================= Grid point 301 (70/75) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 11.881 0.000 -1.309) 11.953 1.836 ( 10.568 0.000 1.355) 10.654 1.907 ( 6.928 0.000 1.022) 7.003 2.048 ( 1.554 0.000 1.466) 2.136 2.164 ( -4.555 -0.000 -6.378) 7.838 2.308 ( -4.181 -0.000 -1.123) 4.329 2.358 ( -4.329 -0.000 3.722) 5.709 2.453 ( -9.642 -0.000 0.060) 9.642 2.483 ( -7.454 -0.000 4.910) 8.926 2.595 ( -11.493 -0.000 3.265) 11.948 2.944 ( 2.529 0.000 -2.522) 3.571 2.986 ( 0.312 -0.000 -4.572) 4.582 3.262 ( 8.639 0.000 5.763) 10.385 3.374 ( 1.983 0.000 3.624) 4.131 3.559 ( 3.470 0.000 -1.473) 3.770 3.608 ( -2.643 -0.000 -0.367) 2.668 3.753 ( 0.072 -0.000 -7.000) 7.000 3.927 ( -0.068 0.000 4.115) 4.115 5.787 ( 2.507 0.000 0.011) 2.507 5.829 ( -0.207 -0.000 -0.112) 0.235 6.055 ( 5.654 0.000 0.545) 5.681 6.144 ( -0.629 -0.000 0.495) 0.801 6.311 ( 5.871 0.000 -5.452) 8.012 6.395 ( 5.833 0.000 -2.824) 6.481 6.498 ( 5.725 0.000 -3.602) 6.764 6.511 ( 3.822 0.000 0.547) 3.861 6.702 ( 2.616 0.000 5.392) 5.993 6.789 ( -2.863 -0.000 -4.576) 5.398 6.943 ( -3.565 -0.000 3.884) 5.272 6.997 ( -3.699 -0.000 4.155) 5.563 7.821 ( -0.608 0.000 1.578) 1.691 7.923 ( -2.743 -0.000 -4.225) 5.037 8.003 ( 0.253 0.000 1.574) 1.594 8.098 ( -3.863 -0.000 -0.810) 3.947 8.161 ( -3.434 0.000 7.000) 7.797 8.250 ( -7.516 -0.000 -0.742) 7.553 8.676 ( 4.987 0.000 -1.111) 5.109 8.821 ( -1.212 0.000 1.519) 1.943 9.135 ( 6.563 0.000 -3.021) 7.225 9.261 ( -0.046 -0.000 -0.199) 0.204 9.278 ( -1.239 -0.000 -2.110) 2.447 9.368 ( -3.827 -0.000 1.064) 3.972 ======================= Grid point 309 (71/75) ======================= q-point: ( 0.56 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.978 6.978 -3.450) 10.454 1.901 ( 6.210 6.210 -0.273) 8.787 2.035 ( 3.265 3.265 2.098) 5.071 2.054 ( 2.738 2.738 1.565) 4.177 2.125 ( -1.714 -1.714 -7.074) 7.478 2.206 ( -3.106 -3.106 -0.677) 4.445 2.356 ( -4.099 -4.099 3.437) 6.739 2.362 ( -6.647 -6.647 -2.072) 9.626 2.453 ( -4.921 -4.921 7.996) 10.601 2.493 ( -6.762 -6.762 5.959) 11.267 2.964 ( 1.778 1.778 -4.581) 5.225 2.987 ( 0.244 0.244 -3.406) 3.423 3.340 ( 3.780 3.780 3.584) 6.436 3.378 ( 2.029 2.029 6.436) 7.047 3.577 ( -0.346 -0.346 -2.466) 2.514 3.584 ( -1.216 -1.216 -1.242) 2.122 3.760 ( 0.425 0.425 -7.450) 7.474 3.926 ( 0.895 0.895 4.968) 5.127 5.813 ( 0.896 0.896 -0.047) 1.268 5.818 ( 0.562 0.562 0.313) 0.854 6.114 ( 1.623 1.623 0.926) 2.475 6.116 ( 1.621 1.621 0.903) 2.463 6.352 ( 5.083 5.083 -6.349) 9.591 6.450 ( 4.440 4.440 -2.436) 6.735 6.525 ( 2.756 2.756 -3.888) 5.505 6.533 ( 2.802 2.802 -0.396) 3.982 6.745 ( -2.570 -2.570 -1.101) 3.798 6.775 ( 0.583 0.583 2.360) 2.500 6.893 ( -1.221 -1.221 2.665) 3.176 6.974 ( -3.141 -3.141 5.589) 7.139 7.828 ( -3.002 -3.002 -4.494) 6.182 7.904 ( 1.539 1.539 1.687) 2.754 7.987 ( 0.147 0.147 1.034) 1.055 8.080 ( -2.067 -2.067 4.773) 5.597 8.137 ( -4.838 -4.838 -2.015) 7.132 8.192 ( -3.485 -3.485 3.144) 5.846 8.724 ( 1.268 1.268 -2.727) 3.263 8.805 ( 1.776 1.776 3.109) 3.996 9.184 ( 1.955 1.955 -4.027) 4.884 9.256 ( 0.052 0.052 -1.008) 1.011 9.278 ( -1.722 -1.722 -2.408) 3.424 9.330 ( 0.045 0.045 3.343) 3.344 ======================= Grid point 311 (72/75) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 5.890 -0.000 -8.495) 10.337 1.892 ( 2.080 -0.000 -9.585) 9.808 1.991 ( 1.495 0.000 -1.112) 1.863 2.076 ( 3.958 0.000 -0.013) 3.958 2.144 ( 2.359 0.000 4.083) 4.716 2.198 ( -2.566 -0.000 0.400) 2.597 2.301 ( -7.529 -0.000 1.728) 7.724 2.370 ( -7.161 -0.000 4.155) 8.279 2.546 ( -1.382 0.000 9.859) 9.955 2.568 ( -4.426 0.000 8.839) 9.885 2.917 ( 0.846 -0.000 -4.093) 4.180 2.924 ( -0.070 -0.000 -4.435) 4.436 3.412 ( 5.868 0.000 -0.077) 5.869 3.483 ( 1.331 0.000 0.601) 1.460 3.505 ( -0.191 -0.000 -2.093) 2.101 3.569 ( -4.577 -0.000 2.986) 5.465 3.665 ( 1.288 -0.000 -5.850) 5.990 3.995 ( 1.245 0.000 3.772) 3.972 5.819 ( 1.684 0.000 0.332) 1.717 5.830 ( 0.155 0.000 0.260) 0.303 6.128 ( 3.874 0.000 0.074) 3.875 6.149 ( 0.758 0.000 -0.215) 0.788 6.314 ( 5.219 0.000 -5.114) 7.307 6.408 ( 4.417 -0.000 -5.461) 7.024 6.467 ( -1.056 -0.000 -5.324) 5.428 6.544 ( 0.863 -0.000 -1.104) 1.401 6.716 ( -2.338 -0.000 1.093) 2.581 6.813 ( 4.917 0.000 0.819) 4.985 6.961 ( -0.781 0.000 4.260) 4.331 7.006 ( -4.541 -0.000 3.852) 5.954 7.777 ( -3.226 -0.000 1.358) 3.500 7.950 ( 3.715 0.000 2.770) 4.634 8.010 ( -1.999 -0.000 -1.710) 2.631 8.049 ( -1.332 -0.000 1.143) 1.755 8.114 ( -6.986 -0.000 0.204) 6.989 8.238 ( -2.110 0.000 5.812) 6.183 8.695 ( 1.872 -0.000 -2.434) 3.070 8.862 ( 1.798 0.000 2.758) 3.293 9.148 ( 2.471 -0.000 -2.997) 3.884 9.217 ( -1.127 -0.000 -3.431) 3.612 9.223 ( -1.748 -0.000 -3.293) 3.728 9.391 ( 0.506 0.000 4.009) 4.041 ======================= Grid point 320 (73/75) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.000 -0.000 -14.910) 14.910 1.716 ( -0.000 -0.000 -14.910) 14.910 2.011 ( 0.000 0.000 1.214) 1.214 2.051 ( -0.000 -0.000 -1.291) 1.291 2.258 ( 0.000 0.000 3.957) 3.957 2.260 ( 0.000 0.000 2.493) 2.493 2.260 ( 0.000 0.000 2.493) 2.493 2.378 ( 0.000 0.000 7.498) 7.498 2.669 ( 0.000 0.000 7.908) 7.908 2.669 ( 0.000 0.000 7.908) 7.908 2.881 ( -0.000 -0.000 -0.691) 0.691 2.881 ( -0.000 -0.000 -0.691) 0.691 3.283 ( -0.000 -0.000 -18.846) 18.846 3.374 ( -0.000 -0.000 -8.369) 8.369 3.619 ( -0.000 -0.000 -2.224) 2.224 3.632 ( 0.000 0.000 8.494) 8.494 3.632 ( 0.000 0.000 8.494) 8.494 4.044 ( 0.000 0.000 1.771) 1.771 5.838 ( 0.000 0.000 0.576) 0.576 5.838 ( 0.000 0.000 0.576) 0.576 6.139 ( -0.000 -0.000 -3.094) 3.094 6.139 ( -0.000 -0.000 -3.094) 3.094 6.277 ( -0.000 -0.000 -6.822) 6.822 6.389 ( -0.000 -0.000 -1.461) 1.461 6.389 ( -0.000 -0.000 -1.461) 1.461 6.515 ( -0.000 -0.000 -2.690) 2.690 6.748 ( 0.000 0.000 5.013) 5.013 6.791 ( -0.000 -0.000 -9.181) 9.181 7.023 ( 0.000 0.000 4.410) 4.410 7.023 ( 0.000 0.000 4.410) 4.410 7.818 ( 0.000 0.000 4.538) 4.538 7.954 ( 0.000 0.000 0.941) 0.941 8.035 ( 0.000 0.000 2.150) 2.150 8.051 ( -0.000 -0.000 -0.379) 0.379 8.051 ( -0.000 -0.000 -0.379) 0.379 8.297 ( 0.000 0.000 4.955) 4.955 8.674 ( -0.000 -0.000 -2.246) 2.246 8.911 ( 0.000 0.000 1.883) 1.883 9.137 ( -0.000 -0.000 -1.015) 1.015 9.164 ( -0.000 -0.000 -2.788) 2.788 9.164 ( -0.000 -0.000 -2.788) 2.788 9.451 ( 0.000 0.000 3.775) 3.775 ======================= Grid point 387 (74/75) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 9.475 0.000 -0.000) 9.475 1.987 ( 13.184 0.000 -0.000) 13.184 2.005 ( 8.710 0.000 -0.000) 8.710 2.056 ( 1.946 0.000 -0.000) 1.946 2.186 ( -2.873 -0.000 0.000) 2.873 2.248 ( -5.636 -0.000 0.000) 5.636 2.278 ( -3.213 -0.000 0.000) 3.213 2.315 ( -11.461 -0.000 0.000) 11.461 2.333 ( -5.891 -0.000 0.000) 5.891 2.379 ( -12.363 -0.000 0.000) 12.363 3.008 ( 2.522 0.000 -0.000) 2.522 3.026 ( 0.081 0.000 -0.000) 0.081 3.320 ( 5.838 0.000 -0.000) 5.838 3.358 ( 0.750 0.000 -0.000) 0.750 3.589 ( -1.311 -0.000 0.000) 1.311 3.589 ( -0.564 -0.000 0.000) 0.564 3.844 ( 2.450 0.000 -0.000) 2.450 3.869 ( -0.793 -0.000 0.000) 0.793 5.813 ( 1.404 0.000 -0.000) 1.404 5.825 ( -0.246 -0.000 0.000) 0.246 6.105 ( 2.805 0.000 -0.000) 2.805 6.128 ( -0.529 -0.000 0.000) 0.529 6.455 ( 6.475 0.000 -0.000) 6.475 6.478 ( 4.227 0.000 -0.000) 4.227 6.560 ( 5.167 0.000 -0.000) 5.167 6.630 ( -2.322 -0.000 0.000) 2.322 6.678 ( 8.524 0.000 -0.000) 8.524 6.797 ( -3.781 -0.000 0.000) 3.781 6.848 ( -2.608 -0.000 0.000) 2.608 6.893 ( -5.820 -0.000 0.000) 5.820 7.844 ( 3.440 0.000 -0.000) 3.440 7.912 ( -5.182 -0.000 0.000) 5.182 7.989 ( 1.186 0.000 -0.000) 1.186 8.029 ( -2.925 -0.000 0.000) 2.925 8.096 ( -1.047 -0.000 0.000) 1.047 8.150 ( -7.109 -0.000 0.000) 7.109 8.757 ( 4.287 0.000 -0.000) 4.287 8.792 ( -0.650 -0.000 0.000) 0.650 9.244 ( 4.256 0.000 -0.000) 4.256 9.254 ( 0.276 0.000 -0.000) 0.276 9.274 ( -1.269 -0.000 0.000) 1.269 9.306 ( -3.533 -0.000 0.000) 3.533 ======================= Grid point 397 (75/75) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.000 -0.000 -1.957) 1.957 2.059 ( -0.000 -0.000 -10.435) 10.435 2.059 ( -0.000 -0.000 -10.435) 10.435 2.095 ( -0.000 -0.000 -0.709) 0.709 2.129 ( 0.000 0.000 3.138) 3.138 2.200 ( 0.000 0.000 1.616) 1.616 2.200 ( 0.000 0.000 1.616) 1.616 2.208 ( 0.000 0.000 4.946) 4.946 2.393 ( 0.000 0.000 10.054) 10.054 2.393 ( 0.000 0.000 10.054) 10.054 2.991 ( -0.000 -0.000 -4.531) 4.531 2.991 ( -0.000 -0.000 -4.531) 4.531 3.410 ( 0.000 0.000 6.222) 6.222 3.410 ( 0.000 0.000 6.222) 6.222 3.548 ( -0.000 -0.000 -3.892) 3.892 3.564 ( -0.000 -0.000 -3.089) 3.089 3.770 ( -0.000 -0.000 -7.369) 7.369 3.942 ( 0.000 0.000 5.237) 5.237 5.825 ( 0.000 0.000 0.296) 0.296 5.825 ( 0.000 0.000 0.296) 0.296 6.135 ( 0.000 0.000 1.436) 1.436 6.135 ( 0.000 0.000 1.436) 1.436 6.444 ( -0.000 -0.000 -5.353) 5.353 6.542 ( -0.000 -0.000 -7.242) 7.242 6.542 ( -0.000 -0.000 -7.242) 7.242 6.556 ( 0.000 0.000 1.813) 1.813 6.696 ( -0.000 -0.000 -3.039) 3.039 6.843 ( 0.000 0.000 4.790) 4.790 6.878 ( 0.000 0.000 5.707) 5.707 6.878 ( 0.000 0.000 5.707) 5.707 7.782 ( -0.000 -0.000 -5.417) 5.417 7.957 ( 0.000 0.000 4.717) 4.717 8.017 ( 0.000 0.000 1.429) 1.429 8.017 ( 0.000 0.000 1.429) 1.429 8.042 ( -0.000 -0.000 -3.376) 3.376 8.146 ( 0.000 0.000 5.110) 5.110 8.745 ( -0.000 -0.000 -2.964) 2.964 8.834 ( 0.000 0.000 3.381) 3.381 9.213 ( -0.000 -0.000 -4.113) 4.113 9.248 ( -0.000 -0.000 -2.203) 2.203 9.248 ( -0.000 -0.000 -2.203) 2.203 9.336 ( 0.000 0.000 4.567) 4.567 =================== 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 3/30618 10.0 849.601 849.601 862.020 0.000 -0.000 0.000 3/30618 20.0 106.262 106.262 116.720 0.000 -0.000 0.000 3/30618 30.0 43.213 43.213 48.038 0.000 -0.000 0.000 3/30618 40.0 25.709 25.709 28.675 0.000 -0.000 0.000 3/30618 50.0 17.651 17.651 19.820 0.000 -0.000 0.000 3/30618 60.0 13.050 13.050 14.769 0.000 -0.000 0.000 3/30618 70.0 10.156 10.156 11.575 0.000 -0.000 0.000 3/30618 80.0 8.221 8.221 9.424 0.000 -0.000 0.000 3/30618 90.0 6.864 6.864 7.904 0.000 -0.000 0.000 3/30618 100.0 5.874 5.874 6.788 0.000 -0.000 0.000 3/30618 110.0 5.127 5.127 5.940 0.000 -0.000 0.000 3/30618 120.0 4.546 4.546 5.279 0.000 -0.000 0.000 3/30618 130.0 4.084 4.084 4.750 0.000 -0.000 0.000 3/30618 140.0 3.708 3.708 4.318 0.000 -0.000 0.000 3/30618 150.0 3.397 3.397 3.960 0.000 -0.000 0.000 3/30618 160.0 3.135 3.135 3.657 0.000 -0.000 0.000 3/30618 170.0 2.911 2.911 3.399 0.000 -0.000 0.000 3/30618 180.0 2.719 2.719 3.176 0.000 -0.000 0.000 3/30618 190.0 2.550 2.550 2.981 0.000 -0.000 0.000 3/30618 200.0 2.403 2.403 2.809 0.000 -0.000 0.000 3/30618 210.0 2.271 2.271 2.657 0.000 -0.000 0.000 3/30618 220.0 2.154 2.154 2.521 0.000 -0.000 0.000 3/30618 230.0 2.049 2.049 2.398 0.000 -0.000 0.000 3/30618 240.0 1.954 1.954 2.287 0.000 -0.000 0.000 3/30618 250.0 1.868 1.868 2.187 0.000 -0.000 0.000 3/30618 260.0 1.789 1.789 2.095 0.000 -0.000 0.000 3/30618 270.0 1.717 1.717 2.010 0.000 -0.000 0.000 3/30618 280.0 1.650 1.650 1.933 0.000 -0.000 0.000 3/30618 290.0 1.589 1.589 1.861 0.000 -0.000 0.000 3/30618 300.0 1.532 1.532 1.794 0.000 -0.000 0.000 3/30618 310.0 1.479 1.479 1.733 0.000 -0.000 0.000 3/30618 320.0 1.430 1.430 1.675 0.000 -0.000 0.000 3/30618 330.0 1.384 1.384 1.621 0.000 -0.000 0.000 3/30618 340.0 1.341 1.341 1.571 0.000 -0.000 0.000 3/30618 350.0 1.300 1.300 1.524 0.000 -0.000 0.000 3/30618 360.0 1.262 1.262 1.479 0.000 -0.000 0.000 3/30618 370.0 1.226 1.226 1.437 0.000 -0.000 0.000 3/30618 380.0 1.193 1.193 1.398 0.000 -0.000 0.000 3/30618 390.0 1.161 1.161 1.361 0.000 -0.000 0.000 3/30618 400.0 1.130 1.130 1.325 0.000 -0.000 0.000 3/30618 410.0 1.102 1.102 1.292 0.000 -0.000 0.000 3/30618 420.0 1.075 1.075 1.260 0.000 -0.000 0.000 3/30618 430.0 1.049 1.049 1.229 0.000 -0.000 0.000 3/30618 440.0 1.024 1.024 1.201 0.000 -0.000 0.000 3/30618 450.0 1.000 1.000 1.173 0.000 -0.000 0.000 3/30618 460.0 0.978 0.978 1.147 0.000 -0.000 0.000 3/30618 470.0 0.957 0.957 1.122 0.000 -0.000 0.000 3/30618 480.0 0.936 0.936 1.098 0.000 -0.000 0.000 3/30618 490.0 0.916 0.916 1.075 0.000 -0.000 0.000 3/30618 500.0 0.898 0.898 1.053 0.000 -0.000 0.000 3/30618 510.0 0.880 0.880 1.031 0.000 -0.000 0.000 3/30618 520.0 0.862 0.862 1.011 0.000 -0.000 0.000 3/30618 530.0 0.846 0.846 0.992 0.000 -0.000 0.000 3/30618 540.0 0.830 0.830 0.973 0.000 -0.000 0.000 3/30618 550.0 0.814 0.814 0.955 0.000 -0.000 0.000 3/30618 560.0 0.799 0.799 0.937 0.000 -0.000 0.000 3/30618 570.0 0.785 0.785 0.921 0.000 -0.000 0.000 3/30618 580.0 0.771 0.771 0.904 0.000 -0.000 0.000 3/30618 590.0 0.758 0.758 0.889 0.000 -0.000 0.000 3/30618 600.0 0.745 0.745 0.874 0.000 -0.000 0.000 3/30618 610.0 0.733 0.733 0.859 0.000 -0.000 0.000 3/30618 620.0 0.721 0.721 0.845 0.000 -0.000 0.000 3/30618 630.0 0.709 0.709 0.831 0.000 -0.000 0.000 3/30618 640.0 0.698 0.698 0.818 0.000 -0.000 0.000 3/30618 650.0 0.687 0.687 0.805 0.000 -0.000 0.000 3/30618 660.0 0.676 0.676 0.793 0.000 -0.000 0.000 3/30618 670.0 0.666 0.666 0.781 0.000 -0.000 0.000 3/30618 680.0 0.656 0.656 0.769 0.000 -0.000 0.000 3/30618 690.0 0.646 0.646 0.758 0.000 -0.000 0.000 3/30618 700.0 0.637 0.637 0.747 0.000 -0.000 0.000 3/30618 710.0 0.628 0.628 0.736 0.000 -0.000 0.000 3/30618 720.0 0.619 0.619 0.726 0.000 -0.000 0.000 3/30618 730.0 0.611 0.611 0.716 0.000 -0.000 0.000 3/30618 740.0 0.602 0.602 0.706 0.000 -0.000 0.000 3/30618 750.0 0.594 0.594 0.697 0.000 -0.000 0.000 3/30618 760.0 0.586 0.586 0.687 0.000 -0.000 0.000 3/30618 770.0 0.578 0.578 0.678 0.000 -0.000 0.000 3/30618 780.0 0.571 0.571 0.670 0.000 -0.000 0.000 3/30618 790.0 0.564 0.564 0.661 0.000 -0.000 0.000 3/30618 800.0 0.557 0.557 0.653 0.000 -0.000 0.000 3/30618 810.0 0.550 0.550 0.645 0.000 -0.000 0.000 3/30618 820.0 0.543 0.543 0.637 0.000 -0.000 0.000 3/30618 830.0 0.536 0.536 0.629 0.000 -0.000 0.000 3/30618 840.0 0.530 0.530 0.621 0.000 -0.000 0.000 3/30618 850.0 0.524 0.524 0.614 0.000 -0.000 0.000 3/30618 860.0 0.517 0.517 0.607 0.000 -0.000 0.000 3/30618 870.0 0.511 0.511 0.600 0.000 -0.000 0.000 3/30618 880.0 0.506 0.506 0.593 0.000 -0.000 0.000 3/30618 890.0 0.500 0.500 0.586 0.000 -0.000 0.000 3/30618 900.0 0.494 0.494 0.580 0.000 -0.000 0.000 3/30618 910.0 0.489 0.489 0.573 0.000 -0.000 0.000 3/30618 920.0 0.483 0.483 0.567 0.000 -0.000 0.000 3/30618 930.0 0.478 0.478 0.561 0.000 -0.000 0.000 3/30618 940.0 0.473 0.473 0.555 0.000 -0.000 0.000 3/30618 950.0 0.468 0.468 0.549 0.000 -0.000 0.000 3/30618 960.0 0.463 0.463 0.543 0.000 -0.000 0.000 3/30618 970.0 0.458 0.458 0.538 0.000 -0.000 0.000 3/30618 980.0 0.454 0.454 0.532 0.000 -0.000 0.000 3/30618 990.0 0.449 0.449 0.527 0.000 -0.000 0.000 3/30618 1000.0 0.444 0.444 0.521 0.000 -0.000 0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:38:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|