----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:16:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.965183557602900 0.000000000000000 0.000000000000000 b 0.000000000000000 7.699702410000000 0.000000000000000 c -6.663413141930360 0.000000000000000 9.693242530713407 Atomic positions (fractional): *1 P 0.12132133821494 0.10839981870356 0.06410886734851 30.974 2 P 0.87867866178506 0.60839981870356 0.43589113265149 30.974 3 P 0.87867866178506 0.89160018129644 0.93589113265149 30.974 4 P 0.12132133821494 0.39160018129644 0.56410886734851 30.974 *5 Se 0.36878855448192 0.50087126913864 0.76989096844575 78.960 6 Se 0.63121144551808 0.00087126913864 0.73010903155425 78.960 7 Se 0.63121144551808 0.49912873086136 0.23010903155425 78.960 8 Se 0.36878855448192 0.99912873086136 0.26989096844575 78.960 *9 Se 0.27936660260933 0.29359149767198 0.45825984917263 78.960 10 Se 0.72063339739067 0.79359149767197 0.04174015082737 78.960 11 Se 0.72063339739067 0.70640850232803 0.54174015082737 78.960 12 Se 0.27936660260933 0.20640850232802 0.95825984917263 78.960 *13 Se 0.88306123192614 0.19403275433100 0.55190444768653 78.960 14 Se 0.11693876807386 0.69403275433100 0.94809555231347 78.960 15 Se 0.11693876807386 0.80596724566900 0.44809555231347 78.960 16 Se 0.88306123192614 0.30596724566900 0.05190444768653 78.960 *17 Sr 0.78370671369649 0.10614827899620 0.24793460355180 87.620 18 Sr 0.21629328630351 0.60614827899620 0.25206539644821 87.620 19 Sr 0.21629328630351 0.89385172100380 0.75206539644821 87.620 20 Sr 0.78370671369649 0.39385172100380 0.74793460355179 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.965183557602900 0.000000000000000 0.000000000000000 b 0.000000000000000 7.699702410000000 0.000000000000000 c -6.663413141930360 0.000000000000000 9.693242530713407 Atomic positions (fractional): *1 P 0.12132133821494 0.10839981870356 0.06410886734851 30.974 > 1 2 P 0.87867866178506 0.60839981870356 0.43589113265149 30.974 > 2 3 P 0.87867866178506 0.89160018129644 0.93589113265149 30.974 > 3 4 P 0.12132133821494 0.39160018129644 0.56410886734851 30.974 > 4 *5 Se 0.36878855448192 0.50087126913864 0.76989096844575 78.960 > 5 6 Se 0.63121144551808 0.00087126913864 0.73010903155425 78.960 > 6 7 Se 0.63121144551808 0.49912873086136 0.23010903155425 78.960 > 7 8 Se 0.36878855448192 0.99912873086136 0.26989096844575 78.960 > 8 *9 Se 0.27936660260933 0.29359149767198 0.45825984917263 78.960 > 9 10 Se 0.72063339739067 0.79359149767197 0.04174015082737 78.960 > 10 11 Se 0.72063339739067 0.70640850232803 0.54174015082737 78.960 > 11 12 Se 0.27936660260933 0.20640850232802 0.95825984917263 78.960 > 12 *13 Se 0.88306123192614 0.19403275433100 0.55190444768653 78.960 > 13 14 Se 0.11693876807386 0.69403275433100 0.94809555231347 78.960 > 14 15 Se 0.11693876807386 0.80596724566900 0.44809555231347 78.960 > 15 16 Se 0.88306123192614 0.30596724566900 0.05190444768653 78.960 > 16 *17 Sr 0.78370671369649 0.10614827899620 0.24793460355180 87.620 > 17 18 Sr 0.21629328630351 0.60614827899620 0.25206539644821 87.620 > 18 19 Sr 0.21629328630351 0.89385172100380 0.75206539644821 87.620 > 19 20 Sr 0.78370671369649 0.39385172100380 0.74793460355179 87.620 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.930367115205801 0.000000000000000 0.000000000000000 b 0.000000000000000 15.399404820000001 0.000000000000000 c -6.663413141930360 0.000000000000000 9.693242530713407 Atomic positions (fractional): *1 P 0.06066066910747 0.05419990935178 0.06410886734851 30.974 > 1 2 P 0.56066066910747 0.05419990935178 0.06410886734851 30.974 > 1 3 P 0.06066066910747 0.55419990935178 0.06410886734851 30.974 > 1 4 P 0.56066066910747 0.55419990935178 0.06410886734851 30.974 > 1 5 P 0.43933933089253 0.30419990935178 0.43589113265149 30.974 > 2 6 P 0.93933933089253 0.30419990935178 0.43589113265149 30.974 > 2 7 P 0.43933933089253 0.80419990935178 0.43589113265149 30.974 > 2 8 P 0.93933933089253 0.80419990935178 0.43589113265149 30.974 > 2 9 P 0.43933933089253 0.44580009064822 0.93589113265149 30.974 > 3 10 P 0.93933933089253 0.44580009064822 0.93589113265149 30.974 > 3 11 P 0.43933933089253 0.94580009064822 0.93589113265149 30.974 > 3 12 P 0.93933933089253 0.94580009064822 0.93589113265149 30.974 > 3 13 P 0.06066066910747 0.19580009064822 0.56410886734851 30.974 > 4 14 P 0.56066066910747 0.19580009064822 0.56410886734851 30.974 > 4 15 P 0.06066066910747 0.69580009064822 0.56410886734851 30.974 > 4 16 P 0.56066066910747 0.69580009064822 0.56410886734851 30.974 > 4 *17 Se 0.18439427724096 0.25043563456932 0.76989096844575 78.960 > 5 18 Se 0.68439427724096 0.25043563456932 0.76989096844575 78.960 > 5 19 Se 0.18439427724096 0.75043563456932 0.76989096844575 78.960 > 5 20 Se 0.68439427724096 0.75043563456932 0.76989096844575 78.960 > 5 21 Se 0.31560572275904 0.00043563456932 0.73010903155425 78.960 > 6 22 Se 0.81560572275904 0.00043563456932 0.73010903155425 78.960 > 6 23 Se 0.31560572275904 0.50043563456932 0.73010903155425 78.960 > 6 24 Se 0.81560572275904 0.50043563456932 0.73010903155425 78.960 > 6 25 Se 0.31560572275904 0.24956436543068 0.23010903155425 78.960 > 7 26 Se 0.81560572275904 0.24956436543068 0.23010903155425 78.960 > 7 27 Se 0.31560572275904 0.74956436543068 0.23010903155425 78.960 > 7 28 Se 0.81560572275904 0.74956436543068 0.23010903155425 78.960 > 7 29 Se 0.18439427724096 0.49956436543068 0.26989096844575 78.960 > 8 30 Se 0.68439427724096 0.49956436543068 0.26989096844575 78.960 > 8 31 Se 0.18439427724096 0.99956436543068 0.26989096844575 78.960 > 8 32 Se 0.68439427724096 0.99956436543068 0.26989096844575 78.960 > 8 *33 Se 0.13968330130467 0.14679574883599 0.45825984917263 78.960 > 9 34 Se 0.63968330130467 0.14679574883599 0.45825984917263 78.960 > 9 35 Se 0.13968330130467 0.64679574883599 0.45825984917263 78.960 > 9 36 Se 0.63968330130467 0.64679574883599 0.45825984917263 78.960 > 9 37 Se 0.36031669869533 0.39679574883599 0.04174015082737 78.960 > 10 38 Se 0.86031669869533 0.39679574883599 0.04174015082737 78.960 > 10 39 Se 0.36031669869533 0.89679574883599 0.04174015082737 78.960 > 10 40 Se 0.86031669869533 0.89679574883599 0.04174015082737 78.960 > 10 41 Se 0.36031669869533 0.35320425116401 0.54174015082737 78.960 > 11 42 Se 0.86031669869533 0.35320425116401 0.54174015082737 78.960 > 11 43 Se 0.36031669869533 0.85320425116401 0.54174015082737 78.960 > 11 44 Se 0.86031669869533 0.85320425116401 0.54174015082737 78.960 > 11 45 Se 0.13968330130467 0.10320425116401 0.95825984917263 78.960 > 12 46 Se 0.63968330130467 0.10320425116401 0.95825984917263 78.960 > 12 47 Se 0.13968330130467 0.60320425116401 0.95825984917263 78.960 > 12 48 Se 0.63968330130467 0.60320425116401 0.95825984917263 78.960 > 12 *49 Se 0.44153061596307 0.09701637716550 0.55190444768653 78.960 > 13 50 Se 0.94153061596307 0.09701637716550 0.55190444768653 78.960 > 13 51 Se 0.44153061596307 0.59701637716550 0.55190444768653 78.960 > 13 52 Se 0.94153061596307 0.59701637716550 0.55190444768653 78.960 > 13 53 Se 0.05846938403693 0.34701637716550 0.94809555231347 78.960 > 14 54 Se 0.55846938403693 0.34701637716550 0.94809555231347 78.960 > 14 55 Se 0.05846938403693 0.84701637716550 0.94809555231347 78.960 > 14 56 Se 0.55846938403693 0.84701637716550 0.94809555231347 78.960 > 14 57 Se 0.05846938403693 0.40298362283450 0.44809555231347 78.960 > 15 58 Se 0.55846938403693 0.40298362283450 0.44809555231347 78.960 > 15 59 Se 0.05846938403693 0.90298362283450 0.44809555231347 78.960 > 15 60 Se 0.55846938403693 0.90298362283450 0.44809555231347 78.960 > 15 61 Se 0.44153061596307 0.15298362283450 0.05190444768653 78.960 > 16 62 Se 0.94153061596307 0.15298362283450 0.05190444768653 78.960 > 16 63 Se 0.44153061596307 0.65298362283450 0.05190444768653 78.960 > 16 64 Se 0.94153061596307 0.65298362283450 0.05190444768653 78.960 > 16 *65 Sr 0.39185335684825 0.05307413949810 0.24793460355180 87.620 > 17 66 Sr 0.89185335684825 0.05307413949810 0.24793460355180 87.620 > 17 67 Sr 0.39185335684825 0.55307413949810 0.24793460355180 87.620 > 17 68 Sr 0.89185335684825 0.55307413949810 0.24793460355180 87.620 > 17 69 Sr 0.10814664315175 0.30307413949810 0.25206539644821 87.620 > 18 70 Sr 0.60814664315175 0.30307413949810 0.25206539644821 87.620 > 18 71 Sr 0.10814664315175 0.80307413949810 0.25206539644821 87.620 > 18 72 Sr 0.60814664315175 0.80307413949810 0.25206539644821 87.620 > 18 73 Sr 0.10814664315175 0.44692586050190 0.75206539644821 87.620 > 19 74 Sr 0.60814664315175 0.44692586050190 0.75206539644821 87.620 > 19 75 Sr 0.10814664315175 0.94692586050190 0.75206539644821 87.620 > 19 76 Sr 0.60814664315175 0.94692586050190 0.75206539644821 87.620 > 19 77 Sr 0.39185335684825 0.19692586050190 0.74793460355179 87.620 > 20 78 Sr 0.89185335684825 0.19692586050190 0.74793460355179 87.620 > 20 79 Sr 0.39185335684825 0.69692586050190 0.74793460355179 87.620 > 20 80 Sr 0.89185335684825 0.69692586050190 0.74793460355179 87.620 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9626076 0.0000000 -0.0577402 0.0000000 6.8389559 0.0000000 -0.0577403 0.0000000 7.2559981 -------------------------- Born effective charges -------------------------- 1 P 1.8748926 -0.3028535 -0.3620585 -0.2364730 1.5576422 -0.3200695 0.1079109 -0.3394740 1.7376046 2 P 1.8748926 0.3028535 -0.3620585 0.2364730 1.5576422 0.3200695 0.1079109 0.3394740 1.7376046 3 P 1.8748926 -0.3028535 -0.3620585 -0.2364730 1.5576422 -0.3200695 0.1079109 -0.3394740 1.7376046 4 P 1.8748926 0.3028535 -0.3620585 0.2364730 1.5576422 0.3200695 0.1079109 0.3394740 1.7376046 5 Se -1.4352509 0.0495509 0.1173867 0.1227302 -1.1672521 0.0890241 -0.1021133 -0.2802860 -1.8121389 6 Se -1.4352509 -0.0495509 0.1173867 -0.1227302 -1.1672521 -0.0890241 -0.1021133 0.2802860 -1.8121389 7 Se -1.4352509 0.0495509 0.1173867 0.1227302 -1.1672521 0.0890241 -0.1021133 -0.2802860 -1.8121389 8 Se -1.4352509 -0.0495509 0.1173867 -0.1227302 -1.1672521 -0.0890241 -0.1021133 0.2802860 -1.8121389 9 Se -1.6468166 -0.0965506 0.0762307 0.0384477 -1.1865021 0.1731117 -0.1259062 0.4612372 -1.3645237 10 Se -1.6468166 0.0965506 0.0762307 -0.0384477 -1.1865021 -0.1731117 -0.1259062 -0.4612372 -1.3645237 11 Se -1.6468166 -0.0965506 0.0762307 0.0384477 -1.1865021 0.1731117 -0.1259062 0.4612372 -1.3645237 12 Se -1.6468166 0.0965506 0.0762307 -0.0384477 -1.1865021 -0.1731117 -0.1259062 -0.4612372 -1.3645237 13 Se -1.3870033 -0.4419693 0.2760969 -0.3177114 -1.6753341 0.1061374 0.0763351 0.0294739 -1.0803316 14 Se -1.3870033 0.4419693 0.2760969 0.3177114 -1.6753341 -0.1061374 0.0763351 -0.0294739 -1.0803316 15 Se -1.3870033 -0.4419693 0.2760969 -0.3177114 -1.6753341 0.1061374 0.0763351 0.0294739 -1.0803316 16 Se -1.3870033 0.4419693 0.2760969 0.3177114 -1.6753341 -0.1061374 0.0763351 -0.0294739 -1.0803316 17 Sr 2.5941782 -0.0197621 -0.1076558 -0.2990854 2.4714461 0.1405881 0.0437735 0.4670753 2.5193897 18 Sr 2.5941782 0.0197621 -0.1076558 0.2990854 2.4714461 -0.1405881 0.0437735 -0.4670753 2.5193897 19 Sr 2.5941782 -0.0197621 -0.1076558 -0.2990854 2.4714461 0.1405881 0.0437735 0.4670753 2.5193897 20 Sr 2.5941782 0.0197621 -0.1076558 0.2990854 2.4714461 -0.1405881 0.0437735 -0.4670753 2.5193897 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.330 Solver_block: 200 / 640 - Time: 2.300 Solver_block: 300 / 640 - Time: 2.290 Solver_block: 400 / 640 - Time: 2.268 Solver_block: 500 / 640 - Time: 2.315 Solver_block: 600 / 640 - Time: 2.283 Solver_block: 640 / 640 - Time: 0.981 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.989 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:17:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:17:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.965183557602900 0.000000000000000 0.000000000000000 b 0.000000000000000 7.699702410000000 0.000000000000000 c -6.663413141930360 0.000000000000000 9.693242530713407 Atomic positions (fractional): 1 P 0.12132133821494 0.10839981870356 0.06410886734851 30.974 2 P 0.87867866178506 0.60839981870356 0.43589113265149 30.974 3 P 0.87867866178506 0.89160018129644 0.93589113265149 30.974 4 P 0.12132133821494 0.39160018129644 0.56410886734851 30.974 5 Se 0.36878855448192 0.50087126913864 0.76989096844575 78.960 6 Se 0.63121144551808 0.00087126913864 0.73010903155425 78.960 7 Se 0.63121144551808 0.49912873086136 0.23010903155425 78.960 8 Se 0.36878855448192 0.99912873086136 0.26989096844575 78.960 9 Se 0.27936660260933 0.29359149767198 0.45825984917263 78.960 10 Se 0.72063339739067 0.79359149767197 0.04174015082737 78.960 11 Se 0.72063339739067 0.70640850232803 0.54174015082737 78.960 12 Se 0.27936660260933 0.20640850232802 0.95825984917263 78.960 13 Se 0.88306123192614 0.19403275433100 0.55190444768653 78.960 14 Se 0.11693876807386 0.69403275433100 0.94809555231347 78.960 15 Se 0.11693876807386 0.80596724566900 0.44809555231347 78.960 16 Se 0.88306123192614 0.30596724566900 0.05190444768653 78.960 17 Sr 0.78370671369649 0.10614827899620 0.24793460355180 87.620 18 Sr 0.21629328630351 0.60614827899620 0.25206539644821 87.620 19 Sr 0.21629328630351 0.89385172100380 0.75206539644821 87.620 20 Sr 0.78370671369649 0.39385172100380 0.74793460355179 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.930367115205801 0.000000000000000 0.000000000000000 b 0.000000000000000 15.399404820000001 0.000000000000000 c -6.663413141930360 0.000000000000000 9.693242530713407 Atomic positions (fractional): 1 P 0.06066066910747 0.05419990935178 0.06410886734851 30.974 > 1 2 P 0.56066066910747 0.05419990935178 0.06410886734851 30.974 > 1 3 P 0.06066066910747 0.55419990935178 0.06410886734851 30.974 > 1 4 P 0.56066066910747 0.55419990935178 0.06410886734851 30.974 > 1 5 P 0.43933933089253 0.30419990935178 0.43589113265149 30.974 > 5 6 P 0.93933933089253 0.30419990935178 0.43589113265149 30.974 > 5 7 P 0.43933933089253 0.80419990935178 0.43589113265149 30.974 > 5 8 P 0.93933933089253 0.80419990935178 0.43589113265149 30.974 > 5 9 P 0.43933933089253 0.44580009064822 0.93589113265149 30.974 > 9 10 P 0.93933933089253 0.44580009064822 0.93589113265149 30.974 > 9 11 P 0.43933933089253 0.94580009064822 0.93589113265149 30.974 > 9 12 P 0.93933933089253 0.94580009064822 0.93589113265149 30.974 > 9 13 P 0.06066066910747 0.19580009064822 0.56410886734851 30.974 > 13 14 P 0.56066066910747 0.19580009064822 0.56410886734851 30.974 > 13 15 P 0.06066066910747 0.69580009064822 0.56410886734851 30.974 > 13 16 P 0.56066066910747 0.69580009064822 0.56410886734851 30.974 > 13 17 Se 0.18439427724096 0.25043563456932 0.76989096844575 78.960 > 17 18 Se 0.68439427724096 0.25043563456932 0.76989096844575 78.960 > 17 19 Se 0.18439427724096 0.75043563456932 0.76989096844575 78.960 > 17 20 Se 0.68439427724096 0.75043563456932 0.76989096844575 78.960 > 17 21 Se 0.31560572275904 0.00043563456932 0.73010903155425 78.960 > 21 22 Se 0.81560572275904 0.00043563456932 0.73010903155425 78.960 > 21 23 Se 0.31560572275904 0.50043563456932 0.73010903155425 78.960 > 21 24 Se 0.81560572275904 0.50043563456932 0.73010903155425 78.960 > 21 25 Se 0.31560572275904 0.24956436543068 0.23010903155425 78.960 > 25 26 Se 0.81560572275904 0.24956436543068 0.23010903155425 78.960 > 25 27 Se 0.31560572275904 0.74956436543068 0.23010903155425 78.960 > 25 28 Se 0.81560572275904 0.74956436543068 0.23010903155425 78.960 > 25 29 Se 0.18439427724096 0.49956436543068 0.26989096844575 78.960 > 29 30 Se 0.68439427724096 0.49956436543068 0.26989096844575 78.960 > 29 31 Se 0.18439427724096 0.99956436543068 0.26989096844575 78.960 > 29 32 Se 0.68439427724096 0.99956436543068 0.26989096844575 78.960 > 29 33 Se 0.13968330130467 0.14679574883599 0.45825984917263 78.960 > 33 34 Se 0.63968330130467 0.14679574883599 0.45825984917263 78.960 > 33 35 Se 0.13968330130467 0.64679574883599 0.45825984917263 78.960 > 33 36 Se 0.63968330130467 0.64679574883599 0.45825984917263 78.960 > 33 37 Se 0.36031669869533 0.39679574883599 0.04174015082737 78.960 > 37 38 Se 0.86031669869533 0.39679574883599 0.04174015082737 78.960 > 37 39 Se 0.36031669869533 0.89679574883599 0.04174015082737 78.960 > 37 40 Se 0.86031669869533 0.89679574883599 0.04174015082737 78.960 > 37 41 Se 0.36031669869533 0.35320425116401 0.54174015082737 78.960 > 41 42 Se 0.86031669869533 0.35320425116401 0.54174015082737 78.960 > 41 43 Se 0.36031669869533 0.85320425116401 0.54174015082737 78.960 > 41 44 Se 0.86031669869533 0.85320425116401 0.54174015082737 78.960 > 41 45 Se 0.13968330130467 0.10320425116401 0.95825984917263 78.960 > 45 46 Se 0.63968330130467 0.10320425116401 0.95825984917263 78.960 > 45 47 Se 0.13968330130467 0.60320425116401 0.95825984917263 78.960 > 45 48 Se 0.63968330130467 0.60320425116401 0.95825984917263 78.960 > 45 49 Se 0.44153061596307 0.09701637716550 0.55190444768653 78.960 > 49 50 Se 0.94153061596307 0.09701637716550 0.55190444768653 78.960 > 49 51 Se 0.44153061596307 0.59701637716550 0.55190444768653 78.960 > 49 52 Se 0.94153061596307 0.59701637716550 0.55190444768653 78.960 > 49 53 Se 0.05846938403693 0.34701637716550 0.94809555231347 78.960 > 53 54 Se 0.55846938403693 0.34701637716550 0.94809555231347 78.960 > 53 55 Se 0.05846938403693 0.84701637716550 0.94809555231347 78.960 > 53 56 Se 0.55846938403693 0.84701637716550 0.94809555231347 78.960 > 53 57 Se 0.05846938403693 0.40298362283450 0.44809555231347 78.960 > 57 58 Se 0.55846938403693 0.40298362283450 0.44809555231347 78.960 > 57 59 Se 0.05846938403693 0.90298362283450 0.44809555231347 78.960 > 57 60 Se 0.55846938403693 0.90298362283450 0.44809555231347 78.960 > 57 61 Se 0.44153061596307 0.15298362283450 0.05190444768653 78.960 > 61 62 Se 0.94153061596307 0.15298362283450 0.05190444768653 78.960 > 61 63 Se 0.44153061596307 0.65298362283450 0.05190444768653 78.960 > 61 64 Se 0.94153061596307 0.65298362283450 0.05190444768653 78.960 > 61 65 Sr 0.39185335684825 0.05307413949810 0.24793460355180 87.620 > 65 66 Sr 0.89185335684825 0.05307413949810 0.24793460355180 87.620 > 65 67 Sr 0.39185335684825 0.55307413949810 0.24793460355180 87.620 > 65 68 Sr 0.89185335684825 0.55307413949810 0.24793460355180 87.620 > 65 69 Sr 0.10814664315175 0.30307413949810 0.25206539644821 87.620 > 69 70 Sr 0.60814664315175 0.30307413949810 0.25206539644821 87.620 > 69 71 Sr 0.10814664315175 0.80307413949810 0.25206539644821 87.620 > 69 72 Sr 0.60814664315175 0.80307413949810 0.25206539644821 87.620 > 69 73 Sr 0.10814664315175 0.44692586050190 0.75206539644821 87.620 > 73 74 Sr 0.60814664315175 0.44692586050190 0.75206539644821 87.620 > 73 75 Sr 0.10814664315175 0.94692586050190 0.75206539644821 87.620 > 73 76 Sr 0.60814664315175 0.94692586050190 0.75206539644821 87.620 > 73 77 Sr 0.39185335684825 0.19692586050190 0.74793460355179 87.620 > 77 78 Sr 0.89185335684825 0.19692586050190 0.74793460355179 87.620 > 77 79 Sr 0.39185335684825 0.69692586050190 0.74793460355179 87.620 > 77 80 Sr 0.89185335684825 0.69692586050190 0.74793460355179 87.620 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9626076 0.0000000 -0.0577402 0.0000000 6.8389559 0.0000000 -0.0577403 0.0000000 7.2559981 -------------------------- Born effective charges -------------------------- 1 P 1.8748926 -0.3028535 -0.3620585 -0.2364730 1.5576422 -0.3200695 0.1079109 -0.3394740 1.7376046 2 P 1.8748926 0.3028535 -0.3620585 0.2364730 1.5576422 0.3200695 0.1079109 0.3394740 1.7376046 3 P 1.8748926 -0.3028535 -0.3620585 -0.2364730 1.5576422 -0.3200695 0.1079109 -0.3394740 1.7376046 4 P 1.8748926 0.3028535 -0.3620585 0.2364730 1.5576422 0.3200695 0.1079109 0.3394740 1.7376046 5 Se -1.4352509 0.0495509 0.1173867 0.1227302 -1.1672521 0.0890241 -0.1021133 -0.2802860 -1.8121389 6 Se -1.4352509 -0.0495509 0.1173867 -0.1227302 -1.1672521 -0.0890241 -0.1021133 0.2802860 -1.8121389 7 Se -1.4352509 0.0495509 0.1173867 0.1227302 -1.1672521 0.0890241 -0.1021133 -0.2802860 -1.8121389 8 Se -1.4352509 -0.0495509 0.1173867 -0.1227302 -1.1672521 -0.0890241 -0.1021133 0.2802860 -1.8121389 9 Se -1.6468166 -0.0965506 0.0762307 0.0384477 -1.1865021 0.1731117 -0.1259062 0.4612372 -1.3645237 10 Se -1.6468166 0.0965506 0.0762307 -0.0384477 -1.1865021 -0.1731117 -0.1259062 -0.4612372 -1.3645237 11 Se -1.6468166 -0.0965506 0.0762307 0.0384477 -1.1865021 0.1731117 -0.1259062 0.4612372 -1.3645237 12 Se -1.6468166 0.0965506 0.0762307 -0.0384477 -1.1865021 -0.1731117 -0.1259062 -0.4612372 -1.3645237 13 Se -1.3870033 -0.4419693 0.2760969 -0.3177114 -1.6753341 0.1061374 0.0763351 0.0294739 -1.0803316 14 Se -1.3870033 0.4419693 0.2760969 0.3177114 -1.6753341 -0.1061374 0.0763351 -0.0294739 -1.0803316 15 Se -1.3870033 -0.4419693 0.2760969 -0.3177114 -1.6753341 0.1061374 0.0763351 0.0294739 -1.0803316 16 Se -1.3870033 0.4419693 0.2760969 0.3177114 -1.6753341 -0.1061374 0.0763351 -0.0294739 -1.0803316 17 Sr 2.5941782 -0.0197621 -0.1076558 -0.2990854 2.4714461 0.1405881 0.0437735 0.4670753 2.5193897 18 Sr 2.5941782 0.0197621 -0.1076558 0.2990854 2.4714461 -0.1405881 0.0437735 -0.4670753 2.5193897 19 Sr 2.5941782 -0.0197621 -0.1076558 -0.2990854 2.4714461 0.1405881 0.0437735 0.4670753 2.5193897 20 Sr 2.5941782 0.0197621 -0.1076558 0.2990854 2.4714461 -0.1405881 0.0437735 -0.4670753 2.5193897 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:17:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:17:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.965183557602900 0.000000000000000 0.000000000000000 b 0.000000000000000 7.699702410000000 0.000000000000000 c -6.663413141930360 0.000000000000000 9.693242530713407 Atomic positions (fractional): 1 P 0.12132133821494 0.10839981870356 0.06410886734851 30.974 2 P 0.87867866178506 0.60839981870356 0.43589113265149 30.974 3 P 0.87867866178506 0.89160018129644 0.93589113265149 30.974 4 P 0.12132133821494 0.39160018129644 0.56410886734851 30.974 5 Se 0.36878855448192 0.50087126913864 0.76989096844575 78.960 6 Se 0.63121144551808 0.00087126913864 0.73010903155425 78.960 7 Se 0.63121144551808 0.49912873086136 0.23010903155425 78.960 8 Se 0.36878855448192 0.99912873086136 0.26989096844575 78.960 9 Se 0.27936660260933 0.29359149767198 0.45825984917263 78.960 10 Se 0.72063339739067 0.79359149767197 0.04174015082737 78.960 11 Se 0.72063339739067 0.70640850232803 0.54174015082737 78.960 12 Se 0.27936660260933 0.20640850232802 0.95825984917263 78.960 13 Se 0.88306123192614 0.19403275433100 0.55190444768653 78.960 14 Se 0.11693876807386 0.69403275433100 0.94809555231347 78.960 15 Se 0.11693876807386 0.80596724566900 0.44809555231347 78.960 16 Se 0.88306123192614 0.30596724566900 0.05190444768653 78.960 17 Sr 0.78370671369649 0.10614827899620 0.24793460355180 87.620 18 Sr 0.21629328630351 0.60614827899620 0.25206539644821 87.620 19 Sr 0.21629328630351 0.89385172100380 0.75206539644821 87.620 20 Sr 0.78370671369649 0.39385172100380 0.74793460355179 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.930367115205801 0.000000000000000 0.000000000000000 b 0.000000000000000 15.399404820000001 0.000000000000000 c -6.663413141930360 0.000000000000000 9.693242530713407 Atomic positions (fractional): 1 P 0.06066066910747 0.05419990935178 0.06410886734851 30.974 > 1 2 P 0.56066066910747 0.05419990935178 0.06410886734851 30.974 > 1 3 P 0.06066066910747 0.55419990935178 0.06410886734851 30.974 > 1 4 P 0.56066066910747 0.55419990935178 0.06410886734851 30.974 > 1 5 P 0.43933933089253 0.30419990935178 0.43589113265149 30.974 > 5 6 P 0.93933933089253 0.30419990935178 0.43589113265149 30.974 > 5 7 P 0.43933933089253 0.80419990935178 0.43589113265149 30.974 > 5 8 P 0.93933933089253 0.80419990935178 0.43589113265149 30.974 > 5 9 P 0.43933933089253 0.44580009064822 0.93589113265149 30.974 > 9 10 P 0.93933933089253 0.44580009064822 0.93589113265149 30.974 > 9 11 P 0.43933933089253 0.94580009064822 0.93589113265149 30.974 > 9 12 P 0.93933933089253 0.94580009064822 0.93589113265149 30.974 > 9 13 P 0.06066066910747 0.19580009064822 0.56410886734851 30.974 > 13 14 P 0.56066066910747 0.19580009064822 0.56410886734851 30.974 > 13 15 P 0.06066066910747 0.69580009064822 0.56410886734851 30.974 > 13 16 P 0.56066066910747 0.69580009064822 0.56410886734851 30.974 > 13 17 Se 0.18439427724096 0.25043563456932 0.76989096844575 78.960 > 17 18 Se 0.68439427724096 0.25043563456932 0.76989096844575 78.960 > 17 19 Se 0.18439427724096 0.75043563456932 0.76989096844575 78.960 > 17 20 Se 0.68439427724096 0.75043563456932 0.76989096844575 78.960 > 17 21 Se 0.31560572275904 0.00043563456932 0.73010903155425 78.960 > 21 22 Se 0.81560572275904 0.00043563456932 0.73010903155425 78.960 > 21 23 Se 0.31560572275904 0.50043563456932 0.73010903155425 78.960 > 21 24 Se 0.81560572275904 0.50043563456932 0.73010903155425 78.960 > 21 25 Se 0.31560572275904 0.24956436543068 0.23010903155425 78.960 > 25 26 Se 0.81560572275904 0.24956436543068 0.23010903155425 78.960 > 25 27 Se 0.31560572275904 0.74956436543068 0.23010903155425 78.960 > 25 28 Se 0.81560572275904 0.74956436543068 0.23010903155425 78.960 > 25 29 Se 0.18439427724096 0.49956436543068 0.26989096844575 78.960 > 29 30 Se 0.68439427724096 0.49956436543068 0.26989096844575 78.960 > 29 31 Se 0.18439427724096 0.99956436543068 0.26989096844575 78.960 > 29 32 Se 0.68439427724096 0.99956436543068 0.26989096844575 78.960 > 29 33 Se 0.13968330130467 0.14679574883599 0.45825984917263 78.960 > 33 34 Se 0.63968330130467 0.14679574883599 0.45825984917263 78.960 > 33 35 Se 0.13968330130467 0.64679574883599 0.45825984917263 78.960 > 33 36 Se 0.63968330130467 0.64679574883599 0.45825984917263 78.960 > 33 37 Se 0.36031669869533 0.39679574883599 0.04174015082737 78.960 > 37 38 Se 0.86031669869533 0.39679574883599 0.04174015082737 78.960 > 37 39 Se 0.36031669869533 0.89679574883599 0.04174015082737 78.960 > 37 40 Se 0.86031669869533 0.89679574883599 0.04174015082737 78.960 > 37 41 Se 0.36031669869533 0.35320425116401 0.54174015082737 78.960 > 41 42 Se 0.86031669869533 0.35320425116401 0.54174015082737 78.960 > 41 43 Se 0.36031669869533 0.85320425116401 0.54174015082737 78.960 > 41 44 Se 0.86031669869533 0.85320425116401 0.54174015082737 78.960 > 41 45 Se 0.13968330130467 0.10320425116401 0.95825984917263 78.960 > 45 46 Se 0.63968330130467 0.10320425116401 0.95825984917263 78.960 > 45 47 Se 0.13968330130467 0.60320425116401 0.95825984917263 78.960 > 45 48 Se 0.63968330130467 0.60320425116401 0.95825984917263 78.960 > 45 49 Se 0.44153061596307 0.09701637716550 0.55190444768653 78.960 > 49 50 Se 0.94153061596307 0.09701637716550 0.55190444768653 78.960 > 49 51 Se 0.44153061596307 0.59701637716550 0.55190444768653 78.960 > 49 52 Se 0.94153061596307 0.59701637716550 0.55190444768653 78.960 > 49 53 Se 0.05846938403693 0.34701637716550 0.94809555231347 78.960 > 53 54 Se 0.55846938403693 0.34701637716550 0.94809555231347 78.960 > 53 55 Se 0.05846938403693 0.84701637716550 0.94809555231347 78.960 > 53 56 Se 0.55846938403693 0.84701637716550 0.94809555231347 78.960 > 53 57 Se 0.05846938403693 0.40298362283450 0.44809555231347 78.960 > 57 58 Se 0.55846938403693 0.40298362283450 0.44809555231347 78.960 > 57 59 Se 0.05846938403693 0.90298362283450 0.44809555231347 78.960 > 57 60 Se 0.55846938403693 0.90298362283450 0.44809555231347 78.960 > 57 61 Se 0.44153061596307 0.15298362283450 0.05190444768653 78.960 > 61 62 Se 0.94153061596307 0.15298362283450 0.05190444768653 78.960 > 61 63 Se 0.44153061596307 0.65298362283450 0.05190444768653 78.960 > 61 64 Se 0.94153061596307 0.65298362283450 0.05190444768653 78.960 > 61 65 Sr 0.39185335684825 0.05307413949810 0.24793460355180 87.620 > 65 66 Sr 0.89185335684825 0.05307413949810 0.24793460355180 87.620 > 65 67 Sr 0.39185335684825 0.55307413949810 0.24793460355180 87.620 > 65 68 Sr 0.89185335684825 0.55307413949810 0.24793460355180 87.620 > 65 69 Sr 0.10814664315175 0.30307413949810 0.25206539644821 87.620 > 69 70 Sr 0.60814664315175 0.30307413949810 0.25206539644821 87.620 > 69 71 Sr 0.10814664315175 0.80307413949810 0.25206539644821 87.620 > 69 72 Sr 0.60814664315175 0.80307413949810 0.25206539644821 87.620 > 69 73 Sr 0.10814664315175 0.44692586050190 0.75206539644821 87.620 > 73 74 Sr 0.60814664315175 0.44692586050190 0.75206539644821 87.620 > 73 75 Sr 0.10814664315175 0.94692586050190 0.75206539644821 87.620 > 73 76 Sr 0.60814664315175 0.94692586050190 0.75206539644821 87.620 > 73 77 Sr 0.39185335684825 0.19692586050190 0.74793460355179 87.620 > 77 78 Sr 0.89185335684825 0.19692586050190 0.74793460355179 87.620 > 77 79 Sr 0.39185335684825 0.69692586050190 0.74793460355179 87.620 > 77 80 Sr 0.89185335684825 0.69692586050190 0.74793460355179 87.620 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9626076 0.0000000 -0.0577402 0.0000000 6.8389559 0.0000000 -0.0577403 0.0000000 7.2559981 -------------------------- Born effective charges -------------------------- 1 P 1.8748926 -0.3028535 -0.3620585 -0.2364730 1.5576422 -0.3200695 0.1079109 -0.3394740 1.7376046 2 P 1.8748926 0.3028535 -0.3620585 0.2364730 1.5576422 0.3200695 0.1079109 0.3394740 1.7376046 3 P 1.8748926 -0.3028535 -0.3620585 -0.2364730 1.5576422 -0.3200695 0.1079109 -0.3394740 1.7376046 4 P 1.8748926 0.3028535 -0.3620585 0.2364730 1.5576422 0.3200695 0.1079109 0.3394740 1.7376046 5 Se -1.4352509 0.0495509 0.1173867 0.1227302 -1.1672521 0.0890241 -0.1021133 -0.2802860 -1.8121389 6 Se -1.4352509 -0.0495509 0.1173867 -0.1227302 -1.1672521 -0.0890241 -0.1021133 0.2802860 -1.8121389 7 Se -1.4352509 0.0495509 0.1173867 0.1227302 -1.1672521 0.0890241 -0.1021133 -0.2802860 -1.8121389 8 Se -1.4352509 -0.0495509 0.1173867 -0.1227302 -1.1672521 -0.0890241 -0.1021133 0.2802860 -1.8121389 9 Se -1.6468166 -0.0965506 0.0762307 0.0384477 -1.1865021 0.1731117 -0.1259062 0.4612372 -1.3645237 10 Se -1.6468166 0.0965506 0.0762307 -0.0384477 -1.1865021 -0.1731117 -0.1259062 -0.4612372 -1.3645237 11 Se -1.6468166 -0.0965506 0.0762307 0.0384477 -1.1865021 0.1731117 -0.1259062 0.4612372 -1.3645237 12 Se -1.6468166 0.0965506 0.0762307 -0.0384477 -1.1865021 -0.1731117 -0.1259062 -0.4612372 -1.3645237 13 Se -1.3870033 -0.4419693 0.2760969 -0.3177114 -1.6753341 0.1061374 0.0763351 0.0294739 -1.0803316 14 Se -1.3870033 0.4419693 0.2760969 0.3177114 -1.6753341 -0.1061374 0.0763351 -0.0294739 -1.0803316 15 Se -1.3870033 -0.4419693 0.2760969 -0.3177114 -1.6753341 0.1061374 0.0763351 0.0294739 -1.0803316 16 Se -1.3870033 0.4419693 0.2760969 0.3177114 -1.6753341 -0.1061374 0.0763351 -0.0294739 -1.0803316 17 Sr 2.5941782 -0.0197621 -0.1076558 -0.2990854 2.4714461 0.1405881 0.0437735 0.4670753 2.5193897 18 Sr 2.5941782 0.0197621 -0.1076558 0.2990854 2.4714461 -0.1405881 0.0437735 -0.4670753 2.5193897 19 Sr 2.5941782 -0.0197621 -0.1076558 -0.2990854 2.4714461 0.1405881 0.0437735 0.4670753 2.5193897 20 Sr 2.5941782 0.0197621 -0.1076558 0.2990854 2.4714461 -0.1405881 0.0437735 -0.4670753 2.5193897 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 8.554 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 13.066 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 13.262 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.673 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 13.809 ( 0.000 0.000 0.000) 0.000 13.937 ( 0.000 0.000 0.000) 0.000 14.128 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 17.444 0.000 -0.353) 17.447 0.292 ( 9.887 0.000 11.905) 15.475 0.665 ( 23.151 0.000 24.705) 33.857 1.579 ( 0.009 0.000 -7.253) 7.253 1.600 ( 0.264 0.000 -5.057) 5.064 1.654 ( -1.592 0.000 -5.805) 6.019 1.708 ( -2.300 0.000 0.721) 2.410 1.839 ( -3.142 0.000 3.091) 4.408 1.860 ( -2.129 0.000 -1.094) 2.394 2.065 ( -0.880 0.000 3.155) 3.275 2.166 ( -2.031 0.000 -0.141) 2.036 2.220 ( 0.933 0.000 -3.807) 3.920 2.404 ( 3.658 0.000 2.431) 4.392 2.430 ( -5.381 0.000 2.976) 6.149 2.488 ( -0.277 0.000 2.947) 2.960 2.580 ( -0.132 0.000 -2.374) 2.378 2.625 ( -5.588 0.000 1.954) 5.920 2.722 ( -1.771 0.000 -1.876) 2.580 2.767 ( -4.156 0.000 -1.386) 4.381 2.858 ( -2.708 0.000 0.586) 2.771 2.955 ( 2.850 0.000 -10.544) 10.922 3.048 ( -4.997 0.000 5.701) 7.581 3.140 ( -1.762 0.000 3.325) 3.763 3.257 ( 5.046 0.000 0.669) 5.090 3.349 ( 0.573 0.000 -4.305) 4.343 3.363 ( -3.175 0.000 3.693) 4.870 3.402 ( 10.163 0.000 -7.741) 12.776 3.412 ( -1.402 0.000 -0.447) 1.471 3.529 ( -4.012 0.000 3.752) 5.493 3.544 ( 4.657 0.000 1.811) 4.997 3.631 ( 4.227 0.000 0.409) 4.247 3.690 ( 1.250 0.000 6.161) 6.287 3.763 ( 2.029 0.000 1.586) 2.575 3.886 ( 3.287 0.000 0.412) 3.313 3.975 ( 0.059 0.000 -2.246) 2.246 4.018 ( 0.718 0.000 -0.198) 0.745 4.071 ( 2.044 0.000 1.404) 2.480 4.222 ( -1.113 0.000 0.953) 1.465 4.306 ( 9.419 0.000 -13.767) 16.680 4.446 ( -0.020 0.000 -0.718) 0.718 4.468 ( -0.260 0.000 1.082) 1.112 4.546 ( -2.740 0.000 5.113) 5.801 4.751 ( -0.979 0.000 -0.528) 1.113 4.789 ( -1.831 0.000 -1.625) 2.448 5.277 ( 0.432 0.000 1.617) 1.673 5.310 ( -1.116 0.000 -1.036) 1.522 6.354 ( -0.752 0.000 0.009) 0.752 6.354 ( -0.389 0.000 0.437) 0.585 8.631 ( -2.151 0.000 5.267) 5.689 8.650 ( -0.888 0.000 -1.013) 1.348 13.173 ( 8.050 0.000 -12.933) 15.233 13.197 ( 2.919 0.000 1.260) 3.179 13.225 ( 0.946 0.000 -0.946) 1.338 13.279 ( 1.363 0.000 0.879) 1.622 13.497 ( -1.549 0.000 -0.636) 1.674 13.673 ( -0.598 0.000 0.899) 1.079 13.783 ( -2.158 0.000 -1.628) 2.703 13.884 ( -6.726 0.000 8.139) 10.559 13.947 ( 1.538 0.000 -0.625) 1.661 14.119 ( -1.045 0.000 0.136) 1.054 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 18.816 0.000 0.969) 18.841 0.570 ( 9.384 0.000 10.310) 13.941 1.245 ( 16.117 0.000 20.286) 25.909 1.405 ( -5.662 0.000 -14.709) 15.761 1.481 ( -6.575 0.000 -2.059) 6.890 1.604 ( 6.395 0.000 -10.713) 12.476 1.704 ( -1.579 0.000 4.499) 4.768 1.806 ( -3.899 0.000 0.685) 3.958 1.855 ( -3.863 0.000 7.617) 8.540 2.122 ( -2.750 0.000 -0.195) 2.757 2.131 ( 3.028 0.000 4.850) 5.718 2.195 ( 0.111 0.000 -1.160) 1.166 2.326 ( -9.104 0.000 -0.107) 9.105 2.426 ( -2.109 0.000 -2.320) 3.136 2.512 ( -1.016 0.000 2.881) 3.055 2.549 ( -6.534 0.000 3.224) 7.286 2.559 ( 0.078 0.000 -3.127) 3.128 2.670 ( -1.670 0.000 -1.263) 2.094 2.718 ( -0.189 0.000 -0.510) 0.544 2.806 ( -2.000 0.000 -1.609) 2.567 2.920 ( 5.902 0.000 -8.190) 10.095 3.004 ( -4.235 0.000 0.478) 4.262 3.148 ( -2.144 0.000 3.811) 4.373 3.292 ( -1.642 0.000 -4.375) 4.673 3.333 ( 0.006 0.000 -0.522) 0.522 3.370 ( 3.050 0.000 1.687) 3.486 3.381 ( -0.122 0.000 -2.508) 2.511 3.464 ( 3.527 0.000 1.975) 4.042 3.575 ( 5.191 0.000 -0.402) 5.206 3.640 ( 6.144 0.000 -0.692) 6.183 3.699 ( 3.640 0.000 -0.041) 3.640 3.767 ( 2.423 0.000 2.593) 3.549 3.830 ( 2.681 0.000 2.889) 3.941 3.951 ( 1.470 0.000 -3.436) 3.737 3.965 ( 4.177 0.000 1.768) 4.536 4.010 ( 0.278 0.000 -1.421) 1.448 4.146 ( 1.369 0.000 4.163) 4.382 4.215 ( 0.662 0.000 -0.164) 0.682 4.297 ( 3.243 0.000 -6.546) 7.306 4.442 ( 0.490 0.000 -0.848) 0.980 4.479 ( -0.310 0.000 1.766) 1.793 4.559 ( -1.291 0.000 3.326) 3.568 4.718 ( -2.085 0.000 -1.018) 2.320 4.728 ( -2.605 0.000 -2.477) 3.595 5.270 ( -1.799 0.000 -1.839) 2.572 5.308 ( 0.762 0.000 1.942) 2.086 6.339 ( -1.116 0.000 0.118) 1.122 6.353 ( -0.532 0.000 0.809) 0.968 8.615 ( -1.513 0.000 -1.615) 2.213 8.663 ( 0.071 0.000 3.300) 3.301 13.157 ( 3.313 0.000 -6.303) 7.121 13.223 ( 0.547 0.000 -1.802) 1.883 13.275 ( 4.170 0.000 1.624) 4.475 13.316 ( 1.779 0.000 1.107) 2.095 13.460 ( -1.802 0.000 -0.516) 1.875 13.675 ( -0.791 0.000 1.465) 1.665 13.708 ( -4.093 0.000 -2.446) 4.768 13.863 ( -4.608 0.000 4.717) 6.594 13.971 ( 2.054 0.000 -0.196) 2.063 14.105 ( -0.844 0.000 0.328) 0.906 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 7.257 0.000 6.739) 9.903 0.882 ( 19.318 0.000 2.490) 19.478 1.138 ( -6.697 0.000 -13.174) 14.778 1.320 ( -6.215 0.000 -0.347) 6.225 1.560 ( 3.192 0.000 -4.655) 5.644 1.678 ( 8.674 0.000 3.188) 9.242 1.709 ( -3.077 0.000 1.469) 3.409 1.803 ( -0.636 0.000 7.346) 7.373 1.852 ( -7.605 0.000 8.705) 11.559 2.123 ( 1.749 0.000 4.895) 5.198 2.167 ( -7.185 0.000 -3.422) 7.959 2.196 ( -1.069 0.000 1.213) 1.617 2.232 ( 2.624 0.000 3.376) 4.276 2.341 ( 0.008 0.000 -5.772) 5.772 2.458 ( -4.564 0.000 -5.322) 7.011 2.485 ( -6.344 0.000 3.606) 7.297 2.544 ( 2.861 0.000 -1.190) 3.099 2.647 ( -2.145 0.000 1.464) 2.597 2.730 ( 1.871 0.000 -0.646) 1.979 2.804 ( 1.169 0.000 1.717) 2.077 2.931 ( -3.678 0.000 -2.201) 4.286 2.938 ( 5.736 0.000 -6.188) 8.437 3.154 ( -2.739 0.000 4.287) 5.087 3.214 ( -2.180 0.000 -3.482) 4.108 3.325 ( -1.028 0.000 2.212) 2.439 3.355 ( 0.699 0.000 -3.072) 3.151 3.416 ( 2.129 0.000 -0.247) 2.143 3.575 ( 4.546 0.000 3.190) 5.554 3.615 ( 1.461 0.000 -2.680) 3.053 3.708 ( 4.260 0.000 -2.321) 4.851 3.757 ( 3.889 0.000 -0.228) 3.896 3.823 ( 1.603 0.000 1.654) 2.303 3.889 ( 3.798 0.000 -1.184) 3.978 3.976 ( 3.176 0.000 1.157) 3.380 3.985 ( -0.836 0.000 0.494) 0.971 4.055 ( 3.447 0.000 0.559) 3.492 4.151 ( -3.599 0.000 2.358) 4.303 4.267 ( 0.607 0.000 -4.129) 4.173 4.271 ( 4.238 0.000 0.396) 4.257 4.440 ( 0.152 0.000 -0.412) 0.440 4.491 ( -0.623 0.000 1.227) 1.376 4.580 ( -0.072 0.000 2.215) 2.216 4.664 ( -2.862 0.000 -1.258) 3.126 4.667 ( -1.510 0.000 -1.808) 2.355 5.219 ( -1.655 0.000 -1.867) 2.495 5.337 ( 0.525 0.000 1.355) 1.453 6.324 ( -0.956 0.000 0.209) 0.979 6.355 ( -0.388 0.000 0.863) 0.946 8.572 ( -1.492 0.000 -1.495) 2.112 8.700 ( 0.646 0.000 2.178) 2.272 13.144 ( 1.876 0.000 -3.319) 3.813 13.202 ( -0.447 0.000 -1.993) 2.043 13.312 ( 0.291 0.000 -0.656) 0.717 13.386 ( 4.018 0.000 2.051) 4.511 13.436 ( -1.110 0.000 -0.090) 1.113 13.617 ( -3.802 0.000 -1.486) 4.082 13.678 ( -0.640 0.000 1.199) 1.359 13.843 ( -2.985 0.000 2.771) 4.073 14.006 ( 1.900 0.000 0.421) 1.946 14.101 ( -0.193 0.000 0.344) 0.394 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.861 0.000 -3.566) 3.669 1.001 ( 0.688 0.000 0.166) 0.708 1.194 ( 10.958 0.000 2.720) 11.291 1.261 ( 3.481 0.000 0.229) 3.488 1.478 ( -7.707 0.000 -4.211) 8.782 1.678 ( -1.445 0.000 0.391) 1.496 1.731 ( 1.249 0.000 -2.265) 2.587 1.828 ( -4.725 0.000 5.205) 7.030 1.901 ( 0.370 0.000 8.536) 8.544 2.037 ( -2.206 0.000 -5.991) 6.384 2.158 ( -1.766 0.000 -0.408) 1.812 2.266 ( 3.000 0.000 6.076) 6.777 2.274 ( -1.180 0.000 1.740) 2.102 2.347 ( -0.648 0.000 -4.400) 4.448 2.347 ( 6.073 0.000 -3.677) 7.099 2.422 ( -6.024 0.000 2.507) 6.524 2.583 ( 3.035 0.000 -1.135) 3.241 2.625 ( -2.559 0.000 1.581) 3.008 2.760 ( 2.383 0.000 0.119) 2.386 2.842 ( 0.297 0.000 1.812) 1.836 2.844 ( -3.279 0.000 -2.567) 4.164 2.959 ( 2.971 0.000 -2.969) 4.200 3.152 ( -1.869 0.000 2.341) 2.996 3.162 ( -0.642 0.000 -1.491) 1.623 3.338 ( 0.383 0.000 -1.456) 1.505 3.348 ( 0.543 0.000 1.456) 1.554 3.453 ( 0.695 0.000 3.338) 3.410 3.550 ( -1.248 0.000 -5.537) 5.676 3.664 ( 1.704 0.000 1.435) 2.228 3.735 ( 1.538 0.000 -0.990) 1.829 3.801 ( 1.823 0.000 -0.616) 1.924 3.859 ( 1.029 0.000 0.770) 1.285 3.932 ( 2.493 0.000 -1.025) 2.695 3.987 ( -0.120 0.000 0.947) 0.954 4.033 ( 1.035 0.000 1.599) 1.904 4.095 ( 1.686 0.000 -0.443) 1.743 4.118 ( -2.453 0.000 1.008) 2.652 4.236 ( -0.122 0.000 -1.730) 1.735 4.323 ( 1.514 0.000 0.302) 1.543 4.440 ( 0.228 0.000 -0.054) 0.234 4.484 ( -0.632 0.000 0.043) 0.634 4.599 ( 0.156 0.000 0.843) 0.857 4.612 ( -1.696 0.000 -0.722) 1.843 4.646 ( -0.083 0.000 -0.342) 0.352 5.185 ( -0.668 0.000 -0.800) 1.042 5.353 ( 0.148 0.000 0.442) 0.466 6.314 ( -0.374 0.000 0.110) 0.390 6.359 ( -0.129 0.000 0.382) 0.403 8.542 ( -0.633 0.000 -0.612) 0.881 8.725 ( 0.329 0.000 0.784) 0.850 13.146 ( 1.245 0.000 -0.937) 1.558 13.172 ( -0.951 0.000 -0.979) 1.364 13.305 ( -0.030 0.000 -0.370) 0.372 13.411 ( -0.871 0.000 -0.645) 1.084 13.456 ( 1.769 0.000 0.995) 2.029 13.569 ( -1.249 0.000 -0.043) 1.250 13.680 ( -0.252 0.000 0.425) 0.494 13.831 ( -1.049 0.000 0.926) 1.400 14.033 ( 0.797 0.000 0.298) 0.851 14.103 ( 0.033 0.000 0.145) 0.149 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 0.000 15.384 0.000) 15.384 0.501 ( 0.000 22.408 0.000) 22.408 0.642 ( 0.000 27.755 0.000) 27.755 1.561 ( 0.000 -4.533 0.000) 4.533 1.581 ( 0.000 -1.081 0.000) 1.081 1.682 ( 0.000 -10.350 0.000) 10.350 1.720 ( 0.000 4.335 0.000) 4.335 1.727 ( 0.000 -0.300 0.000) 0.300 2.016 ( 0.000 4.486 0.000) 4.486 2.085 ( 0.000 0.932 0.000) 0.932 2.179 ( 0.000 -0.305 0.000) 0.305 2.197 ( 0.000 -2.887 0.000) 2.887 2.283 ( 0.000 -4.031 0.000) 4.031 2.313 ( 0.000 -9.667 0.000) 9.667 2.588 ( 0.000 7.158 0.000) 7.158 2.590 ( 0.000 0.932 0.000) 0.932 2.646 ( 0.000 -7.182 0.000) 7.182 2.713 ( 0.000 3.539 0.000) 3.539 2.714 ( 0.000 -7.285 0.000) 7.285 2.954 ( 0.000 3.999 0.000) 3.999 2.980 ( 0.000 -0.328 0.000) 0.328 2.981 ( 0.000 3.882 0.000) 3.882 3.164 ( 0.000 -0.619 0.000) 0.619 3.170 ( 0.000 -2.147 0.000) 2.147 3.295 ( 0.000 -3.953 0.000) 3.953 3.345 ( 0.000 -1.190 0.000) 1.190 3.471 ( 0.000 6.656 0.000) 6.656 3.510 ( 0.000 4.237 0.000) 4.237 3.551 ( 0.000 -2.509 0.000) 2.509 3.562 ( 0.000 -0.134 0.000) 0.134 3.575 ( 0.000 0.056 0.000) 0.056 3.634 ( 0.000 1.126 0.000) 1.126 3.796 ( 0.000 4.097 0.000) 4.097 3.852 ( 0.000 -0.084 0.000) 0.084 3.920 ( 0.000 -3.296 0.000) 3.296 4.044 ( 0.000 -1.295 0.000) 1.295 4.093 ( 0.000 0.583 0.000) 0.583 4.093 ( 0.000 -1.699 0.000) 1.699 4.278 ( 0.000 1.826 0.000) 1.826 4.439 ( 0.000 -1.081 0.000) 1.081 4.471 ( 0.000 1.191 0.000) 1.191 4.520 ( 0.000 0.344 0.000) 0.344 4.744 ( 0.000 -1.387 0.000) 1.387 4.797 ( 0.000 -1.469 0.000) 1.469 5.216 ( 0.000 0.971 0.000) 0.971 5.471 ( 0.000 -2.327 0.000) 2.327 6.361 ( 0.000 0.510 0.000) 0.510 6.363 ( 0.000 0.247 0.000) 0.247 8.568 ( 0.000 1.242 0.000) 1.242 8.783 ( 0.000 -1.981 0.000) 1.981 13.063 ( 0.000 -0.193 0.000) 0.193 13.136 ( 0.000 -1.960 0.000) 1.960 13.253 ( 0.000 1.908 0.000) 1.908 13.274 ( 0.000 0.953 0.000) 0.953 13.657 ( 0.000 1.041 0.000) 1.041 13.709 ( 0.000 2.301 0.000) 2.301 13.768 ( 0.000 0.333 0.000) 0.333 13.819 ( 0.000 0.725 0.000) 0.725 13.952 ( 0.000 1.333 0.000) 1.333 14.107 ( 0.000 -1.776 0.000) 1.776 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 6.014 12.626 4.430) 14.670 0.591 ( 9.842 18.517 0.755) 20.984 0.881 ( 13.656 16.502 16.526) 27.053 1.535 ( -0.428 -4.389 -5.094) 6.737 1.581 ( -0.401 -1.288 -0.360) 1.396 1.616 ( -3.935 -0.920 -6.646) 7.778 1.682 ( -1.967 -6.376 2.812) 7.240 1.780 ( 2.476 3.840 0.288) 4.578 1.968 ( -1.780 3.910 -2.359) 4.901 2.054 ( -4.492 -1.460 2.769) 5.475 2.162 ( -1.120 -1.647 -1.911) 2.760 2.188 ( 1.000 -1.899 -3.984) 4.525 2.307 ( 0.064 -7.867 3.777) 8.727 2.361 ( 0.673 -4.244 3.057) 5.273 2.548 ( -5.628 -2.789 0.650) 6.314 2.551 ( -2.622 2.409 1.994) 4.081 2.626 ( -3.273 -0.990 0.950) 3.549 2.678 ( -1.917 -0.202 0.585) 2.014 2.719 ( -2.968 -3.333 -1.064) 4.588 2.908 ( -2.815 4.292 -0.540) 5.161 2.921 ( -3.248 -1.293 -2.311) 4.191 2.983 ( 4.140 1.583 -4.304) 6.178 3.200 ( 2.242 -0.717 2.681) 3.567 3.250 ( 2.015 -0.215 2.592) 3.290 3.334 ( 2.436 -2.124 -3.306) 4.624 3.365 ( 4.512 -0.462 1.343) 4.731 3.446 ( 0.497 4.445 -3.849) 5.901 3.501 ( -1.716 4.137 -0.931) 4.575 3.536 ( 1.620 2.283 -1.915) 3.392 3.578 ( 2.686 2.098 1.040) 3.563 3.611 ( 3.682 -2.234 1.798) 4.667 3.683 ( 2.557 -1.090 2.892) 4.011 3.812 ( 1.443 2.425 0.516) 2.869 3.888 ( 0.855 -0.162 3.285) 3.398 3.941 ( 1.167 -1.155 0.845) 1.847 4.034 ( 0.669 0.049 -2.415) 2.506 4.075 ( 1.385 0.355 0.808) 1.642 4.173 ( 4.355 -3.603 -0.644) 5.689 4.268 ( 2.388 0.140 -4.251) 4.878 4.433 ( 0.428 -0.742 -1.514) 1.740 4.474 ( -0.002 0.821 0.643) 1.043 4.536 ( -1.212 -0.398 3.641) 3.858 4.733 ( -0.948 -1.429 -0.654) 1.835 4.776 ( -1.903 -1.315 -1.059) 2.544 5.237 ( 0.978 -0.108 1.618) 1.894 5.398 ( -3.840 1.133 -3.216) 5.135 6.355 ( -0.683 0.295 0.138) 0.757 6.363 ( -0.360 0.554 0.344) 0.745 8.596 ( 0.979 0.147 2.340) 2.541 8.721 ( -3.921 1.016 -1.489) 4.315 13.106 ( 5.435 -2.492 -3.727) 7.046 13.158 ( 2.218 -2.117 0.420) 3.095 13.264 ( 1.327 2.038 0.002) 2.431 13.292 ( 1.562 0.970 0.736) 1.980 13.575 ( -3.565 3.874 -3.312) 6.219 13.699 ( -0.485 2.160 0.059) 2.214 13.790 ( -2.009 0.269 -1.598) 2.580 13.831 ( -2.144 -2.075 6.683) 7.319 13.959 ( 0.981 1.213 -0.136) 1.565 14.100 ( -0.874 -1.585 0.215) 1.823 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 8.923 8.081 7.170) 14.012 0.792 ( 13.109 13.824 1.518) 19.112 1.282 ( 11.200 2.571 12.108) 16.693 1.432 ( -7.531 1.917 -6.397) 10.065 1.442 ( -2.496 -2.528 -5.115) 6.227 1.560 ( 0.907 -1.849 -4.777) 5.202 1.696 ( -0.840 -5.399 2.592) 6.048 1.805 ( 0.458 6.856 1.444) 7.021 1.944 ( -2.626 3.121 2.978) 5.050 2.029 ( -2.513 -5.549 2.209) 6.480 2.126 ( -2.124 -4.811 -2.267) 5.727 2.160 ( 0.844 -1.072 0.908) 1.639 2.275 ( -4.070 -4.425 -1.102) 6.112 2.394 ( -1.047 -2.103 0.464) 2.395 2.468 ( -5.906 -1.637 4.675) 7.708 2.557 ( -2.999 -0.582 1.481) 3.395 2.600 ( 0.600 -0.366 -1.403) 1.569 2.638 ( -0.882 -0.173 0.641) 1.104 2.655 ( -1.793 -3.511 -1.733) 4.307 2.840 ( -2.672 2.746 -2.417) 4.530 2.872 ( -1.929 -1.736 0.128) 2.598 3.027 ( 6.164 3.393 -4.167) 8.178 3.201 ( -4.340 2.489 2.555) 5.618 3.292 ( 1.621 -0.103 -4.535) 4.817 3.356 ( 3.254 -1.266 1.020) 3.637 3.392 ( -1.362 2.269 -0.542) 2.701 3.453 ( 1.036 3.850 -2.186) 4.547 3.475 ( 4.081 0.715 -2.034) 4.616 3.562 ( 2.636 2.765 -0.042) 3.821 3.652 ( 5.335 0.661 -0.189) 5.379 3.716 ( 3.630 -0.517 4.950) 6.160 3.762 ( 3.813 -1.437 1.994) 4.536 3.843 ( 2.393 0.401 -0.540) 2.485 3.920 ( 0.417 -1.312 -0.134) 1.383 3.975 ( 2.385 1.193 1.178) 2.916 4.023 ( 1.587 1.097 -2.579) 3.221 4.144 ( 3.198 -0.389 2.969) 4.381 4.195 ( -0.394 -0.761 0.284) 0.903 4.270 ( 3.573 -1.845 -4.794) 6.257 4.428 ( 0.702 -1.001 -0.876) 1.504 4.481 ( -0.191 0.301 0.813) 0.888 4.553 ( -1.102 -0.623 3.072) 3.323 4.699 ( -2.263 -1.501 -0.861) 2.849 4.720 ( -2.634 -0.880 -1.971) 3.405 5.263 ( -0.098 -0.250 0.284) 0.391 5.325 ( -1.677 0.611 -0.901) 1.999 6.343 ( -1.010 0.418 0.184) 1.109 6.361 ( -0.596 0.529 0.657) 1.033 8.622 ( -0.498 0.548 -0.286) 0.794 8.669 ( -1.180 0.300 1.190) 1.702 13.132 ( 3.374 -1.452 -3.851) 5.322 13.195 ( 1.868 -1.856 -0.751) 2.739 13.300 ( 2.774 1.634 0.585) 3.272 13.333 ( 2.187 1.164 1.063) 2.695 13.496 ( -3.045 2.686 -1.569) 4.353 13.688 ( -1.275 1.108 -0.481) 1.757 13.723 ( -3.590 1.076 -0.720) 3.817 13.846 ( -3.166 -1.132 4.498) 5.616 13.980 ( 1.604 0.834 0.064) 1.809 14.089 ( -0.744 -1.284 0.381) 1.532 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 8.439 4.786 7.081) 12.011 1.029 ( 14.032 9.772 1.682) 17.182 1.164 ( -5.848 2.497 -12.802) 14.294 1.324 ( -5.948 0.253 -0.339) 5.963 1.497 ( 0.527 -4.041 -2.574) 4.821 1.610 ( 5.966 -5.256 5.212) 9.507 1.698 ( -0.004 -2.857 -1.430) 3.195 1.825 ( -2.537 4.094 4.396) 6.521 1.911 ( -8.014 -0.804 5.915) 9.993 2.002 ( -2.923 -2.044 0.449) 3.595 2.096 ( 0.506 -5.849 1.282) 6.009 2.171 ( -1.195 -3.263 -0.453) 3.504 2.264 ( 3.038 0.018 -2.606) 4.002 2.337 ( -1.616 0.638 -0.050) 1.738 2.439 ( -4.417 -1.732 2.843) 5.531 2.501 ( -2.181 1.189 0.391) 2.514 2.625 ( 3.955 2.041 -2.213) 4.970 2.629 ( -1.242 -5.121 1.288) 5.425 2.664 ( -0.220 1.327 3.069) 3.351 2.789 ( -0.774 0.015 -1.659) 1.830 2.854 ( -0.583 0.199 0.159) 0.636 3.072 ( 6.058 4.589 -5.390) 9.317 3.159 ( -4.686 0.753 3.624) 5.971 3.239 ( -0.469 2.794 -5.767) 6.426 3.352 ( -1.113 -0.790 -1.348) 1.918 3.376 ( -2.066 2.533 2.001) 3.832 3.478 ( 2.667 3.613 -1.999) 4.915 3.510 ( 3.313 -2.652 -2.360) 4.856 3.614 ( 2.578 1.700 1.437) 3.406 3.731 ( 4.675 -0.776 -0.614) 4.779 3.805 ( 1.091 1.945 3.716) 4.334 3.834 ( 2.130 1.325 1.676) 3.017 3.882 ( 4.905 -0.156 -2.383) 5.455 3.933 ( 1.775 -3.691 0.015) 4.095 4.012 ( 2.615 1.858 -1.274) 3.451 4.043 ( 1.464 0.209 1.121) 1.856 4.154 ( -3.742 0.836 2.054) 4.350 4.243 ( 3.017 -1.330 0.434) 3.326 4.264 ( 2.275 -1.075 -3.510) 4.319 4.434 ( 0.677 -0.805 -0.414) 1.131 4.485 ( -0.466 -0.402 1.129) 1.286 4.573 ( 0.111 -0.685 1.875) 1.999 4.645 ( -2.966 -1.456 -0.934) 3.434 4.661 ( -2.005 -0.713 -1.630) 2.680 5.230 ( -1.582 0.855 -1.706) 2.479 5.328 ( 0.431 -0.803 1.224) 1.526 6.329 ( -0.927 0.502 0.164) 1.067 6.360 ( -0.471 0.306 0.711) 0.906 8.586 ( -1.541 1.121 -1.434) 2.385 8.692 ( 0.545 -0.743 1.844) 2.062 13.139 ( 2.096 -0.240 -2.449) 3.232 13.195 ( 0.108 -0.601 -1.592) 1.706 13.335 ( 0.895 1.782 -0.607) 2.084 13.390 ( 3.211 0.337 1.345) 3.497 13.446 ( -1.882 0.980 -0.401) 2.159 13.623 ( -3.337 0.354 -1.466) 3.662 13.703 ( -0.872 2.026 1.312) 2.566 13.840 ( -2.472 -0.268 2.740) 3.700 14.010 ( 1.656 0.376 0.463) 1.760 14.085 ( -0.298 -1.269 0.307) 1.340 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -1.453 4.160 -3.259) 5.481 1.028 ( 1.682 3.007 0.896) 3.560 1.242 ( -0.709 1.585 0.120) 1.741 1.290 ( 11.726 3.978 1.605) 12.486 1.457 ( -2.480 -2.522 -3.522) 4.992 1.612 ( -6.492 -1.425 1.923) 6.919 1.730 ( 6.333 -5.772 -4.284) 9.580 1.795 ( -7.316 -4.361 4.258) 9.523 1.896 ( 0.054 0.585 4.039) 4.081 1.976 ( -1.448 -1.025 3.591) 4.006 2.088 ( -3.777 -3.443 -5.240) 7.319 2.139 ( 1.421 -1.867 0.601) 2.422 2.259 ( 1.423 -2.840 -1.151) 3.379 2.348 ( 0.219 -2.520 -1.959) 3.200 2.429 ( -2.167 1.625 5.029) 5.712 2.509 ( 2.474 3.105 -0.827) 4.055 2.620 ( -1.466 -7.928 1.203) 8.152 2.668 ( 3.618 6.946 -2.032) 8.091 2.683 ( -1.837 5.172 3.166) 6.336 2.774 ( 0.012 -4.073 -0.486) 4.102 2.853 ( 0.150 3.021 -0.057) 3.025 3.106 ( 5.663 4.367 -5.334) 8.921 3.135 ( -4.687 -0.661 5.414) 7.192 3.171 ( -0.971 3.260 -3.310) 4.746 3.324 ( -0.558 -2.057 -0.853) 2.296 3.380 ( -0.291 2.462 1.831) 3.082 3.460 ( -0.816 -1.287 -1.888) 2.426 3.540 ( 2.229 2.882 -1.369) 3.892 3.649 ( 0.188 -0.623 0.735) 0.982 3.778 ( 1.863 -1.232 -0.439) 2.277 3.843 ( 0.475 4.083 1.224) 4.289 3.868 ( 0.960 0.906 0.265) 1.346 3.937 ( 3.226 1.061 -0.967) 3.531 3.958 ( 0.649 -4.035 0.296) 4.097 4.046 ( 1.844 1.255 -0.091) 2.232 4.070 ( 0.579 -0.253 0.761) 0.989 4.115 ( -2.643 0.677 0.835) 2.853 4.232 ( -0.215 -0.297 -1.433) 1.479 4.300 ( 1.497 -1.858 0.129) 2.390 4.436 ( 0.194 -0.657 -0.265) 0.734 4.491 ( -0.090 0.172 0.477) 0.515 4.589 ( -0.175 -1.421 -0.027) 1.432 4.599 ( -1.272 -0.669 0.180) 1.448 4.629 ( -0.506 -1.239 -0.485) 1.424 5.197 ( -0.637 1.143 -0.707) 1.487 5.344 ( 0.205 -0.807 0.470) 0.956 6.320 ( -0.380 0.470 0.071) 0.609 6.360 ( -0.170 0.107 0.312) 0.371 8.556 ( -0.630 1.216 -0.584) 1.489 8.713 ( 0.267 -1.107 0.670) 1.321 13.148 ( 1.197 0.251 -0.719) 1.419 13.175 ( -0.605 0.211 -0.826) 1.046 13.331 ( -0.040 2.175 -0.500) 2.232 13.412 ( -0.720 0.028 -0.675) 0.987 13.449 ( 1.262 -0.346 0.851) 1.561 13.580 ( -1.066 0.680 -0.022) 1.264 13.705 ( -0.248 2.099 0.473) 2.166 13.832 ( -0.932 0.102 0.938) 1.326 14.036 ( 0.787 0.188 0.325) 0.872 14.084 ( -0.110 -1.541 0.078) 1.547 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 15.456 0.000) 15.456 0.952 ( 0.000 18.795 0.000) 18.795 1.107 ( 0.000 9.679 0.000) 9.679 1.451 ( 0.000 -5.833 0.000) 5.833 1.504 ( 0.000 -1.245 0.000) 1.245 1.590 ( 0.000 2.209 0.000) 2.209 1.728 ( 0.000 1.201 0.000) 1.201 1.811 ( 0.000 2.316 0.000) 2.316 2.007 ( 0.000 -8.128 0.000) 8.128 2.031 ( 0.000 -7.484 0.000) 7.484 2.081 ( 0.000 -4.306 0.000) 4.306 2.120 ( 0.000 -0.404 0.000) 0.404 2.234 ( 0.000 -0.208 0.000) 0.208 2.245 ( 0.000 2.967 0.000) 2.967 2.475 ( 0.000 -8.209 0.000) 8.209 2.529 ( 0.000 -8.579 0.000) 8.579 2.661 ( 0.000 5.506 0.000) 5.506 2.764 ( 0.000 7.621 0.000) 7.621 2.780 ( 0.000 1.818 0.000) 1.818 3.004 ( 0.000 1.606 0.000) 1.606 3.033 ( 0.000 0.562 0.000) 0.562 3.042 ( 0.000 3.594 0.000) 3.594 3.148 ( 0.000 0.060 0.000) 0.060 3.157 ( 0.000 0.820 0.000) 0.820 3.223 ( 0.000 -1.938 0.000) 1.938 3.298 ( 0.000 -3.574 0.000) 3.574 3.444 ( 0.000 -4.883 0.000) 4.883 3.495 ( 0.000 -3.602 0.000) 3.602 3.560 ( 0.000 0.698 0.000) 0.698 3.614 ( 0.000 -0.418 0.000) 0.418 3.636 ( 0.000 1.975 0.000) 1.975 3.640 ( 0.000 4.716 0.000) 4.716 3.829 ( 0.000 0.295 0.000) 0.295 3.857 ( 0.000 0.137 0.000) 0.137 3.938 ( 0.000 2.952 0.000) 2.952 3.995 ( 0.000 -2.509 0.000) 2.509 4.074 ( 0.000 0.142 0.000) 0.142 4.086 ( 0.000 -0.631 0.000) 0.631 4.348 ( 0.000 4.206 0.000) 4.206 4.434 ( 0.000 0.593 0.000) 0.593 4.483 ( 0.000 -0.309 0.000) 0.309 4.504 ( 0.000 -1.829 0.000) 1.829 4.715 ( 0.000 -0.920 0.000) 0.920 4.755 ( 0.000 -2.146 0.000) 2.146 5.251 ( 0.000 2.339 0.000) 2.339 5.402 ( 0.000 -3.818 0.000) 3.818 6.370 ( 0.000 0.358 0.000) 0.358 6.372 ( 0.000 0.390 0.000) 0.390 8.606 ( 0.000 2.254 0.000) 2.254 8.727 ( 0.000 -2.939 0.000) 2.939 13.062 ( 0.000 0.200 0.000) 0.200 13.098 ( 0.000 -1.475 0.000) 1.475 13.287 ( 0.000 1.095 0.000) 1.095 13.294 ( 0.000 0.686 0.000) 0.686 13.701 ( 0.000 2.818 0.000) 2.818 13.755 ( 0.000 1.804 0.000) 1.804 13.775 ( 0.000 0.180 0.000) 0.180 13.822 ( 0.000 -0.838 0.000) 0.838 13.990 ( 0.000 1.978 0.000) 1.978 14.064 ( 0.000 -1.839 0.000) 1.839 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 4.007 13.967 2.056) 14.675 0.991 ( 3.719 17.242 1.955) 17.747 1.170 ( 4.973 3.713 2.153) 6.569 1.431 ( -0.274 -3.499 -2.841) 4.515 1.520 ( 0.311 -1.464 2.179) 2.643 1.599 ( -1.461 3.107 2.285) 4.124 1.692 ( -1.751 2.749 -4.673) 5.697 1.838 ( 3.700 0.869 0.009) 3.800 1.957 ( -3.449 -7.737 -0.587) 8.491 2.008 ( 0.256 -2.358 -7.019) 7.409 2.064 ( 0.187 -2.380 -1.219) 2.681 2.105 ( -5.705 -6.723 4.280) 9.801 2.217 ( 0.415 2.066 1.686) 2.699 2.326 ( 2.391 0.246 4.752) 5.325 2.405 ( -4.946 -6.866 -0.223) 8.465 2.533 ( -1.501 -6.668 1.543) 7.007 2.638 ( -5.468 2.524 2.623) 6.569 2.664 ( -6.717 0.372 -1.665) 6.931 2.774 ( -1.643 6.797 -0.376) 7.003 2.954 ( -3.994 3.013 -4.081) 6.456 3.013 ( -1.373 3.774 -1.316) 4.227 3.059 ( 4.157 5.156 -2.829) 7.202 3.141 ( 4.013 -3.829 0.372) 5.559 3.215 ( 2.396 -2.872 2.235) 4.357 3.306 ( 3.428 -0.117 1.096) 3.601 3.350 ( 5.570 -0.920 0.519) 5.670 3.464 ( -0.273 -4.340 0.767) 4.416 3.484 ( 4.235 -4.267 -3.725) 7.073 3.573 ( -0.962 2.494 1.204) 2.932 3.593 ( 1.955 0.419 0.210) 2.010 3.652 ( 1.945 3.035 -0.369) 3.623 3.690 ( 3.318 1.164 0.879) 3.624 3.822 ( 1.761 0.571 -2.356) 2.997 3.883 ( -0.253 -0.815 2.725) 2.856 3.970 ( 1.322 2.274 3.136) 4.093 4.016 ( 1.672 -1.148 0.393) 2.066 4.070 ( 1.019 -0.154 -0.535) 1.161 4.116 ( 3.981 -1.546 -1.191) 4.433 4.330 ( -1.142 4.545 -1.043) 4.801 4.431 ( 0.165 0.530 -1.244) 1.362 4.484 ( 0.627 -0.177 -0.671) 0.935 4.510 ( -0.859 -2.174 2.187) 3.201 4.702 ( -1.211 -1.014 -0.501) 1.657 4.737 ( -1.670 -2.032 -0.805) 2.751 5.255 ( 0.085 1.661 0.617) 1.774 5.372 ( -2.065 -2.680 -1.801) 3.833 6.365 ( -0.586 0.508 0.178) 0.796 6.374 ( -0.299 0.304 0.357) 0.556 8.618 ( 0.496 1.644 1.134) 2.058 8.705 ( -1.797 -1.782 -0.844) 2.667 13.082 ( 2.733 -0.147 -0.968) 2.903 13.117 ( 2.139 -1.574 0.142) 2.659 13.300 ( 1.405 1.199 0.195) 1.857 13.310 ( 1.637 0.588 0.505) 1.811 13.650 ( -3.253 3.411 -2.604) 5.386 13.745 ( -0.880 1.511 -0.633) 1.860 13.779 ( -1.612 -0.743 0.026) 1.775 13.813 ( -1.619 -0.575 2.753) 3.245 13.995 ( 0.299 1.893 0.384) 1.955 14.063 ( -0.453 -1.571 0.437) 1.693 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 5.749 11.444 5.087) 13.780 1.104 ( 7.612 13.791 1.129) 15.793 1.264 ( 3.075 -5.776 1.500) 6.713 1.394 ( -0.398 -0.112 -4.128) 4.148 1.500 ( -3.299 1.433 -4.224) 5.548 1.532 ( -7.370 0.472 1.058) 7.460 1.654 ( 3.118 1.729 -2.620) 4.424 1.890 ( -4.841 -5.592 0.211) 7.399 1.909 ( 5.281 -2.743 -2.689) 6.530 1.969 ( 2.856 -0.014 -1.684) 3.316 1.992 ( -7.096 -4.176 2.115) 8.501 2.101 ( -2.755 -1.462 4.136) 5.181 2.258 ( 2.170 1.796 1.919) 3.409 2.343 ( -2.539 -2.824 1.753) 4.182 2.415 ( 1.201 -1.850 3.245) 3.924 2.525 ( -2.482 -1.649 1.146) 3.193 2.539 ( -4.348 -4.396 0.847) 6.241 2.569 ( -6.297 -1.518 0.313) 6.484 2.767 ( 1.166 8.079 0.610) 8.185 2.856 ( -2.577 2.218 -1.916) 3.903 2.949 ( -3.889 3.485 -0.978) 5.313 3.111 ( 4.408 2.889 -2.365) 5.776 3.184 ( 2.208 -2.535 -2.933) 4.461 3.289 ( 1.920 -1.906 2.689) 3.814 3.333 ( 2.482 1.210 -3.273) 4.282 3.409 ( 1.959 -0.245 -3.105) 3.680 3.462 ( 4.306 -1.775 -2.187) 5.146 3.507 ( 0.106 -0.755 -0.647) 1.000 3.607 ( 1.911 0.907 2.148) 3.015 3.681 ( 2.970 -0.004 3.637) 4.696 3.693 ( 4.357 1.027 2.461) 5.108 3.749 ( 3.368 0.117 -0.009) 3.370 3.839 ( 3.491 0.802 -2.083) 4.144 3.895 ( -0.706 -0.922 0.865) 1.448 4.012 ( 0.725 0.861 1.415) 1.808 4.041 ( 1.811 0.320 -1.068) 2.127 4.125 ( 5.030 -0.445 0.914) 5.131 4.172 ( 3.223 -1.743 -0.034) 3.665 4.299 ( -1.247 4.439 -0.908) 4.700 4.413 ( -0.214 -0.283 -1.467) 1.509 4.484 ( -0.013 -0.128 -0.341) 0.365 4.524 ( -0.051 -2.132 1.632) 2.686 4.667 ( -2.533 -1.151 -0.490) 2.825 4.691 ( -2.461 -1.648 -1.264) 3.220 5.265 ( 0.034 0.529 0.549) 0.763 5.318 ( -1.882 -1.163 -1.320) 2.576 6.356 ( -0.861 0.653 0.244) 1.107 6.370 ( -0.660 0.228 0.455) 0.833 8.636 ( -0.017 0.754 0.495) 0.903 8.668 ( -1.414 -0.426 -0.196) 1.489 13.116 ( 3.038 0.005 -1.555) 3.413 13.157 ( 2.517 -1.590 -0.426) 3.008 13.333 ( 2.347 1.260 0.234) 2.674 13.351 ( 2.416 0.410 0.757) 2.565 13.563 ( -3.944 3.472 -2.210) 5.700 13.693 ( -3.277 -1.253 -2.574) 4.351 13.755 ( -1.699 1.955 1.673) 3.083 13.825 ( -1.725 -1.002 3.398) 3.941 14.006 ( 0.544 1.485 0.390) 1.629 14.060 ( -0.510 -1.196 0.518) 1.399 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 5.723 8.514 5.834) 11.801 1.192 ( -3.693 3.230 -4.384) 6.580 1.265 ( 6.126 6.448 -2.977) 9.379 1.313 ( -4.094 -1.916 -1.410) 4.734 1.416 ( -1.307 -3.036 -4.036) 5.216 1.485 ( 1.112 -4.804 1.950) 5.302 1.672 ( 1.709 1.367 -2.106) 3.037 1.814 ( -4.792 -1.744 0.233) 5.105 1.906 ( -5.046 -1.929 2.770) 6.071 1.983 ( 4.850 -5.382 0.323) 7.252 2.006 ( 0.102 0.525 0.967) 1.105 2.098 ( -2.143 -1.495 2.389) 3.541 2.272 ( -2.043 1.421 -2.233) 3.344 2.343 ( 0.117 -0.033 1.283) 1.288 2.427 ( -3.179 -0.394 2.811) 4.262 2.492 ( -1.283 -4.210 2.033) 4.848 2.502 ( -1.972 -0.765 0.736) 2.239 2.557 ( 2.098 -4.246 1.696) 5.031 2.803 ( 2.288 4.423 -0.679) 5.025 2.835 ( -0.168 6.062 1.705) 6.300 2.913 ( -0.778 3.096 2.761) 4.220 3.128 ( 0.991 -0.621 -2.783) 3.019 3.164 ( -0.282 0.957 -2.270) 2.480 3.289 ( -0.390 -3.045 -5.471) 6.273 3.317 ( 2.257 3.173 -3.788) 5.433 3.418 ( 0.800 0.363 0.137) 0.889 3.504 ( 0.725 0.966 2.369) 2.659 3.524 ( 2.240 -0.211 -1.418) 2.659 3.628 ( 1.069 0.844 -1.319) 1.896 3.737 ( 1.818 -0.686 -0.469) 1.999 3.803 ( 2.820 -0.599 3.402) 4.459 3.807 ( 2.184 -1.961 2.541) 3.882 3.889 ( 2.467 0.742 -0.920) 2.736 3.901 ( 3.081 0.562 1.023) 3.295 4.038 ( 2.845 0.055 -1.788) 3.361 4.059 ( 1.376 -0.024 0.398) 1.432 4.184 ( -0.580 0.824 0.083) 1.011 4.219 ( 2.956 -0.569 1.134) 3.217 4.277 ( 0.019 3.478 -1.422) 3.757 4.403 ( 0.454 -1.785 -0.586) 1.933 4.479 ( -0.421 -0.095 0.402) 0.589 4.541 ( 0.643 -2.321 0.258) 2.423 4.617 ( -2.874 -0.783 -0.158) 2.983 4.639 ( -2.256 -1.228 -0.953) 2.740 5.251 ( -1.055 1.045 -0.937) 1.757 5.305 ( 0.156 -1.302 0.840) 1.558 6.343 ( -0.858 0.746 0.115) 1.143 6.364 ( -0.629 0.017 0.409) 0.750 8.614 ( -1.265 1.412 -0.978) 2.133 8.671 ( 0.145 -1.129 0.995) 1.512 13.142 ( 2.217 0.494 -1.324) 2.629 13.178 ( 1.170 -0.908 -1.024) 1.801 13.371 ( 1.959 1.220 -0.374) 2.338 13.396 ( 2.184 0.016 0.266) 2.201 13.487 ( -3.129 2.933 -0.846) 4.371 13.615 ( -3.146 -1.417 -1.215) 3.658 13.754 ( -0.773 2.476 1.568) 3.031 13.831 ( -1.525 -0.708 2.498) 3.011 14.021 ( 0.777 0.665 0.357) 1.083 14.058 ( -0.427 -1.079 0.289) 1.196 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.046 3.755 -3.240) 5.820 1.140 ( 3.044 6.680 1.740) 7.544 1.225 ( -3.514 -3.397 -0.343) 4.899 1.349 ( 1.304 -1.156 1.359) 2.210 1.395 ( 3.134 -0.736 -3.313) 4.620 1.530 ( 1.701 -8.623 0.149) 8.791 1.678 ( 1.099 5.345 0.243) 5.463 1.740 ( -4.084 2.067 -0.579) 4.614 1.904 ( -0.225 -2.021 5.007) 5.404 1.999 ( -1.134 1.031 0.775) 1.718 2.038 ( -2.645 -0.755 -4.973) 5.683 2.068 ( 2.366 -5.567 1.512) 6.235 2.241 ( -0.022 1.600 0.818) 1.797 2.316 ( -1.522 -0.428 -1.968) 2.524 2.431 ( -0.350 -1.142 1.728) 2.101 2.492 ( -2.190 -3.617 3.122) 5.256 2.498 ( 1.208 -1.506 -1.599) 2.507 2.604 ( 1.013 -5.956 0.560) 6.068 2.827 ( 1.320 3.882 0.300) 4.112 2.867 ( 0.557 9.024 1.575) 9.177 2.969 ( 1.637 5.207 3.968) 6.748 3.088 ( -1.409 -2.709 -2.651) 4.043 3.141 ( -0.118 1.157 -0.937) 1.494 3.221 ( 0.085 -2.299 -4.825) 5.345 3.312 ( 0.472 3.225 -0.909) 3.384 3.437 ( 0.228 1.168 1.616) 2.007 3.510 ( -0.467 4.110 -1.181) 4.301 3.538 ( 0.820 -1.638 -0.064) 1.833 3.627 ( -0.186 -0.789 -0.098) 0.817 3.745 ( 0.846 -2.491 -1.008) 2.817 3.842 ( 0.692 -4.554 0.230) 4.612 3.864 ( 1.692 -0.642 0.732) 1.953 3.907 ( -0.087 2.632 1.284) 2.930 3.971 ( 2.521 0.573 0.503) 2.634 4.065 ( 2.019 0.419 -0.864) 2.236 4.097 ( 1.927 0.045 1.540) 2.467 4.151 ( -2.014 2.323 -1.181) 3.294 4.235 ( -1.202 -0.014 0.098) 1.206 4.280 ( 1.228 2.032 -0.433) 2.414 4.408 ( 0.535 -1.892 -0.346) 1.997 4.484 ( 0.107 -0.484 0.505) 0.708 4.541 ( -0.453 -2.651 -0.299) 2.706 4.588 ( -0.643 -0.352 0.231) 0.769 4.604 ( -1.014 -0.983 -0.334) 1.451 5.231 ( -0.418 1.884 -0.358) 1.963 5.317 ( 0.207 -1.661 0.426) 1.727 6.334 ( -0.373 0.774 0.022) 0.859 6.360 ( -0.255 -0.206 0.163) 0.366 8.591 ( -0.515 1.958 -0.416) 2.067 8.680 ( 0.067 -1.838 0.352) 1.873 13.158 ( 0.997 0.582 -0.461) 1.243 13.177 ( 0.078 -0.077 -0.548) 0.559 13.381 ( 0.446 1.789 -0.650) 1.955 13.410 ( -0.127 -0.220 -0.639) 0.687 13.460 ( -0.234 1.921 0.549) 2.011 13.578 ( -0.914 -1.250 0.073) 1.550 13.759 ( -0.195 2.656 0.595) 2.729 13.832 ( -0.628 -0.303 0.929) 1.161 14.037 ( 0.701 -0.094 0.292) 0.765 14.052 ( -0.470 -1.086 -0.047) 1.184 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -13.388 0.000) 13.388 0.985 ( 0.000 13.388 0.000) 13.388 1.285 ( 0.000 -11.304 0.000) 11.304 1.285 ( 0.000 11.304 0.000) 11.304 1.620 ( 0.000 -3.585 0.000) 3.585 1.620 ( 0.000 3.585 0.000) 3.585 1.783 ( 0.000 -0.733 0.000) 0.733 1.783 ( 0.000 0.733 0.000) 0.733 1.896 ( 0.000 -4.282 0.000) 4.282 1.896 ( 0.000 4.282 0.000) 4.282 2.070 ( 0.000 -3.338 0.000) 3.338 2.070 ( 0.000 3.338 0.000) 3.338 2.310 ( 0.000 -6.415 0.000) 6.415 2.310 ( 0.000 6.415 0.000) 6.415 2.355 ( 0.000 -6.890 0.000) 6.890 2.355 ( 0.000 6.890 0.000) 6.890 2.769 ( 0.000 -2.978 0.000) 2.978 2.769 ( 0.000 2.978 0.000) 2.978 2.929 ( 0.000 -7.294 0.000) 7.294 2.929 ( 0.000 7.294 0.000) 7.294 3.070 ( 0.000 -1.226 0.000) 1.226 3.070 ( 0.000 1.226 0.000) 1.226 3.171 ( 0.000 -1.191 0.000) 1.191 3.171 ( 0.000 1.191 0.000) 1.191 3.221 ( 0.000 -1.667 0.000) 1.667 3.221 ( 0.000 1.667 0.000) 1.667 3.411 ( 0.000 -2.362 0.000) 2.362 3.411 ( 0.000 2.362 0.000) 2.362 3.579 ( 0.000 -1.342 0.000) 1.342 3.579 ( 0.000 1.342 0.000) 1.342 3.682 ( 0.000 -0.830 0.000) 0.830 3.682 ( 0.000 0.830 0.000) 0.830 3.847 ( 0.000 -0.927 0.000) 0.927 3.847 ( 0.000 0.927 0.000) 0.927 3.968 ( 0.000 -0.301 0.000) 0.301 3.968 ( 0.000 0.301 0.000) 0.301 4.081 ( 0.000 -0.088 0.000) 0.088 4.081 ( 0.000 0.088 0.000) 0.088 4.438 ( 0.000 -3.380 0.000) 3.380 4.438 ( 0.000 3.380 0.000) 3.380 4.462 ( 0.000 -0.975 0.000) 0.975 4.462 ( 0.000 0.975 0.000) 0.975 4.717 ( 0.000 -1.121 0.000) 1.121 4.717 ( 0.000 1.121 0.000) 1.121 5.318 ( 0.000 -3.712 0.000) 3.712 5.318 ( 0.000 3.712 0.000) 3.712 6.376 ( 0.000 -0.099 0.000) 0.099 6.376 ( 0.000 0.099 0.000) 0.099 8.663 ( 0.000 -2.888 0.000) 2.888 8.663 ( 0.000 2.888 0.000) 2.888 13.073 ( 0.000 -0.816 0.000) 0.816 13.073 ( 0.000 0.816 0.000) 0.816 13.300 ( 0.000 -0.140 0.000) 0.140 13.300 ( 0.000 0.140 0.000) 0.140 13.762 ( 0.000 -2.010 0.000) 2.010 13.762 ( 0.000 2.010 0.000) 2.010 13.788 ( 0.000 -1.569 0.000) 1.569 13.788 ( 0.000 1.569 0.000) 1.569 14.029 ( 0.000 -1.587 0.000) 1.587 14.029 ( 0.000 1.587 0.000) 1.587 ======================= Grid point 29 (17/92) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 1.585 -12.502 1.422) 12.682 1.004 ( 1.585 12.502 1.422) 12.682 1.308 ( 1.994 -10.055 0.764) 10.279 1.308 ( 1.994 10.055 0.764) 10.279 1.607 ( 0.444 -5.094 -3.415) 6.149 1.607 ( 0.444 5.094 -3.415) 6.149 1.771 ( 0.135 -4.917 -3.098) 5.813 1.771 ( 0.135 4.917 -3.098) 5.813 1.905 ( -0.263 -5.069 -0.319) 5.086 1.905 ( -0.263 5.069 -0.319) 5.086 2.047 ( -3.240 -2.258 3.555) 5.314 2.047 ( -3.240 2.258 3.555) 5.314 2.286 ( -1.794 -4.122 1.284) 4.675 2.286 ( -1.794 4.122 1.284) 4.675 2.385 ( 1.019 -5.598 2.199) 6.100 2.385 ( 1.019 5.598 2.199) 6.100 2.671 ( -8.598 -0.255 -0.652) 8.627 2.671 ( -8.598 0.255 -0.652) 8.627 2.944 ( 1.011 -6.884 -2.432) 7.370 2.944 ( 1.011 6.884 -2.432) 7.370 3.059 ( -2.119 -2.361 -1.513) 3.515 3.059 ( -2.119 2.361 -1.513) 3.515 3.160 ( 3.061 -2.569 1.181) 4.167 3.160 ( 3.061 2.569 1.181) 4.167 3.323 ( 6.389 -1.630 2.278) 6.976 3.323 ( 6.389 1.630 2.278) 6.976 3.407 ( 1.753 -1.436 -2.826) 3.622 3.407 ( 1.753 1.436 -2.826) 3.622 3.595 ( 1.277 -0.554 1.161) 1.813 3.595 ( 1.277 0.554 1.161) 1.813 3.697 ( 1.344 -0.993 0.440) 1.728 3.697 ( 1.344 0.993 0.440) 1.728 3.852 ( 1.976 -1.750 -1.719) 3.150 3.852 ( 1.976 1.750 -1.719) 3.150 3.998 ( 0.359 -0.823 3.882) 3.984 3.998 ( 0.359 0.823 3.882) 3.984 4.088 ( 2.291 -1.321 -1.497) 3.039 4.088 ( 2.291 1.321 -1.497) 3.039 4.425 ( -1.497 -3.194 -0.209) 3.534 4.425 ( -1.497 3.194 -0.209) 3.534 4.469 ( 1.090 -0.481 -0.346) 1.241 4.469 ( 1.090 0.481 -0.346) 1.241 4.701 ( -1.516 -0.969 -0.544) 1.879 4.701 ( -1.516 0.969 -0.544) 1.879 5.306 ( -0.863 -2.963 -0.516) 3.129 5.306 ( -0.863 2.963 -0.516) 3.129 6.374 ( -0.411 -0.254 0.275) 0.556 6.374 ( -0.411 0.254 0.275) 0.556 8.660 ( -0.405 -2.159 0.153) 2.202 8.660 ( -0.405 2.159 0.153) 2.202 13.090 ( 2.157 -0.870 -0.195) 2.334 13.090 ( 2.157 0.870 -0.195) 2.334 13.315 ( 1.546 -0.215 0.298) 1.589 13.315 ( 1.546 0.215 0.298) 1.589 13.722 ( -2.544 -2.898 -2.500) 4.596 13.722 ( -2.544 2.898 -2.500) 4.596 13.793 ( -1.137 -1.203 1.966) 2.570 13.793 ( -1.137 1.203 1.966) 2.570 14.032 ( -0.094 -1.453 0.560) 1.560 14.032 ( -0.094 1.453 0.560) 1.560 ======================= Grid point 31 (18/92) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.449 -10.382 3.084) 11.367 1.070 ( 3.449 10.382 3.084) 11.367 1.345 ( 0.872 -6.341 0.387) 6.412 1.345 ( 0.872 6.341 0.387) 6.412 1.531 ( -3.695 -2.770 -6.612) 8.065 1.531 ( -3.695 2.770 -6.612) 8.065 1.737 ( 1.457 -6.762 -2.376) 7.314 1.737 ( 1.457 6.762 -2.376) 7.314 1.875 ( -1.140 -2.213 -1.531) 2.922 1.875 ( -1.140 2.213 -1.531) 2.922 2.062 ( -1.970 -2.679 4.576) 5.656 2.062 ( -1.970 2.679 4.576) 5.656 2.302 ( 0.405 -1.759 2.696) 3.244 2.302 ( 0.405 1.759 2.696) 3.244 2.427 ( 0.881 -3.231 2.192) 4.003 2.427 ( 0.881 3.231 2.192) 4.003 2.539 ( -7.112 -1.105 0.992) 7.265 2.539 ( -7.112 1.105 0.992) 7.265 2.899 ( -2.061 -1.989 -2.249) 3.642 2.899 ( -2.061 1.989 -2.249) 3.642 3.022 ( -0.538 -6.509 0.173) 6.534 3.022 ( -0.538 6.509 0.173) 6.534 3.232 ( 3.804 -3.195 -2.080) 5.386 3.232 ( 3.804 3.195 -2.080) 5.386 3.389 ( 3.675 -3.223 -4.737) 6.806 3.389 ( 3.675 3.223 -4.737) 6.806 3.438 ( 2.879 -2.958 1.811) 4.507 3.438 ( 2.879 2.958 1.811) 4.507 3.661 ( 1.785 -2.749 5.214) 6.159 3.661 ( 1.785 2.749 5.214) 6.159 3.724 ( 2.695 -1.841 -0.939) 3.396 3.724 ( 2.695 1.841 -0.939) 3.396 3.872 ( 2.762 -1.388 -1.648) 3.503 3.872 ( 2.762 1.388 -1.648) 3.503 4.028 ( 0.120 -1.197 0.653) 1.368 4.028 ( 0.120 1.197 0.653) 1.368 4.139 ( 4.155 -1.274 0.968) 4.453 4.139 ( 4.155 1.274 0.968) 4.453 4.390 ( -2.041 -2.936 -0.581) 3.622 4.390 ( -2.041 2.936 -0.581) 3.622 4.484 ( 1.216 -0.812 -0.595) 1.579 4.484 ( 1.216 0.812 -0.595) 1.579 4.661 ( -2.529 -0.727 -0.574) 2.693 4.661 ( -2.529 0.727 -0.574) 2.693 5.287 ( -0.849 -1.413 -0.306) 1.677 5.287 ( -0.849 1.413 -0.306) 1.677 6.368 ( -0.742 -0.396 0.315) 0.898 6.368 ( -0.742 0.396 0.315) 0.898 8.654 ( -0.601 -0.784 0.098) 0.992 8.654 ( -0.601 0.784 0.098) 0.992 13.128 ( 2.795 -1.019 -0.647) 3.045 13.128 ( 2.795 1.019 -0.647) 3.045 13.351 ( 2.359 -0.427 0.359) 2.424 13.351 ( 2.359 0.427 0.359) 2.424 13.640 ( -3.888 -3.340 -2.417) 5.667 13.640 ( -3.888 3.340 -2.417) 5.667 13.796 ( -1.327 -1.681 2.348) 3.178 13.796 ( -1.327 1.681 2.348) 3.178 14.036 ( -0.198 -1.189 0.548) 1.324 14.036 ( -0.198 1.189 0.548) 1.324 ======================= Grid point 33 (19/92) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 1.582 -6.308 2.596) 7.002 1.158 ( 1.582 6.308 2.596) 7.002 1.298 ( -3.999 -2.244 -3.135) 5.555 1.298 ( -3.999 2.244 -3.135) 5.555 1.422 ( -0.359 -2.454 -3.634) 4.399 1.422 ( -0.359 2.454 -3.634) 4.399 1.771 ( 3.152 -7.049 -0.680) 7.752 1.771 ( 3.152 7.049 -0.680) 7.752 1.856 ( 0.511 -3.800 0.390) 3.854 1.856 ( 0.511 3.800 0.390) 3.854 2.062 ( -2.781 -2.545 2.262) 4.396 2.062 ( -2.781 2.545 2.262) 4.396 2.319 ( -1.482 -2.456 0.848) 2.991 2.319 ( -1.482 2.456 0.848) 2.991 2.433 ( -1.754 -2.022 1.270) 2.963 2.433 ( -1.754 2.022 1.270) 2.963 2.501 ( -0.307 -0.963 1.486) 1.797 2.501 ( -0.307 0.963 1.486) 1.797 2.877 ( 0.467 -3.153 1.193) 3.403 2.877 ( 0.467 3.153 1.193) 3.403 3.032 ( -0.139 -7.256 2.180) 7.577 3.032 ( -0.139 7.256 2.180) 7.577 3.221 ( 1.248 -3.271 -6.081) 7.017 3.221 ( 1.248 3.271 -6.081) 7.017 3.385 ( 2.292 -2.712 -3.876) 5.256 3.385 ( 2.292 2.712 -3.876) 5.256 3.508 ( 1.741 -0.764 3.165) 3.692 3.508 ( 1.741 0.764 3.165) 3.692 3.693 ( 0.009 -3.795 -1.079) 3.945 3.693 ( 0.009 3.795 -1.079) 3.945 3.787 ( 2.253 -1.585 2.201) 3.526 3.787 ( 2.253 1.585 2.201) 3.526 3.908 ( 2.940 -0.432 0.494) 3.012 3.908 ( 2.940 0.432 0.494) 3.012 4.039 ( 2.236 -0.848 -1.285) 2.715 4.039 ( 2.236 0.848 -1.285) 2.715 4.205 ( 1.411 -0.885 1.359) 2.149 4.205 ( 1.411 0.885 1.359) 2.149 4.359 ( -0.529 -2.856 -0.772) 3.005 4.359 ( -0.529 2.856 -0.772) 3.005 4.492 ( 0.469 -1.620 -0.514) 1.763 4.492 ( 0.469 1.620 -0.514) 1.763 4.616 ( -2.360 -0.682 -0.214) 2.466 4.616 ( -2.360 0.682 -0.214) 2.466 5.276 ( -0.346 -1.275 0.109) 1.325 5.276 ( -0.346 1.275 0.109) 1.325 6.358 ( -0.762 -0.539 0.182) 0.951 6.358 ( -0.762 0.539 0.182) 0.951 8.644 ( -0.561 -1.312 -0.062) 1.428 8.644 ( -0.561 1.312 -0.062) 1.428 13.158 ( 1.926 -0.913 -0.893) 2.311 13.158 ( 1.926 0.913 -0.893) 2.311 13.389 ( 1.975 -0.590 -0.204) 2.071 13.389 ( 1.975 0.590 -0.204) 2.071 13.560 ( -3.208 -3.376 -1.008) 4.765 13.560 ( -3.208 3.376 -1.008) 4.765 13.803 ( -0.866 -1.863 2.009) 2.874 13.803 ( -0.866 1.863 2.009) 2.874 14.038 ( -0.155 -0.841 0.283) 0.901 14.038 ( -0.155 0.841 0.283) 0.901 ======================= Grid point 35 (20/92) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -3.156 -4.965 -1.833) 6.162 1.112 ( -3.156 4.965 -1.833) 6.162 1.288 ( 1.447 -5.368 0.665) 5.599 1.288 ( 1.447 5.368 0.665) 5.599 1.404 ( 0.227 -2.087 -0.749) 2.229 1.404 ( 0.227 2.087 -0.749) 2.229 1.786 ( 0.269 -5.141 -0.397) 5.163 1.786 ( 0.269 5.141 -0.397) 5.163 1.905 ( 2.680 -7.902 1.247) 8.437 1.905 ( 2.680 7.902 1.247) 8.437 2.028 ( -2.442 -1.075 0.164) 2.673 2.028 ( -2.442 1.075 0.164) 2.673 2.292 ( -1.205 -2.169 -0.174) 2.487 2.292 ( -1.205 2.169 -0.174) 2.487 2.432 ( -0.337 -1.761 0.882) 1.998 2.432 ( -0.337 1.761 0.882) 1.998 2.507 ( -0.041 -2.569 0.037) 2.570 2.507 ( -0.041 2.569 0.037) 2.570 2.917 ( 1.172 -4.189 1.589) 4.631 2.917 ( 1.172 4.189 1.589) 4.631 3.061 ( -0.367 -4.412 3.573) 5.689 3.061 ( -0.367 4.412 3.573) 5.689 3.163 ( 0.509 -2.624 -5.815) 6.400 3.163 ( 0.509 2.624 -5.815) 6.400 3.384 ( 0.929 -3.476 -1.123) 3.769 3.384 ( 0.929 3.476 -1.123) 3.769 3.547 ( -0.290 -0.695 1.992) 2.130 3.547 ( -0.290 0.695 1.992) 2.130 3.673 ( 0.302 -4.250 -2.011) 4.712 3.673 ( 0.302 4.250 -2.011) 4.712 3.817 ( 0.414 -2.451 0.377) 2.514 3.817 ( 0.414 2.451 0.377) 2.514 3.960 ( 1.076 -1.617 1.379) 2.383 3.960 ( 1.076 1.617 1.379) 2.383 4.073 ( 2.519 -0.717 -0.546) 2.676 4.073 ( 2.519 0.717 -0.546) 2.676 4.207 ( -1.219 -2.073 0.189) 2.412 4.207 ( -1.219 2.073 0.189) 2.412 4.357 ( 0.617 -3.113 -0.425) 3.202 4.357 ( 0.617 3.113 -0.425) 3.202 4.491 ( -0.089 -1.479 -0.024) 1.482 4.491 ( -0.089 1.479 -0.024) 1.482 4.588 ( -0.867 -0.421 -0.036) 0.965 4.588 ( -0.867 0.421 -0.036) 0.965 5.275 ( -0.041 -2.101 0.126) 2.106 5.275 ( -0.041 2.101 0.126) 2.106 6.350 ( -0.331 -0.672 0.048) 0.751 6.350 ( -0.331 0.672 0.048) 0.751 8.636 ( -0.238 -2.131 -0.065) 2.146 8.636 ( -0.238 2.131 -0.065) 2.146 13.171 ( 0.641 -0.516 -0.411) 0.920 13.171 ( 0.641 0.516 -0.411) 0.920 13.402 ( 0.395 -0.507 -0.575) 0.863 13.402 ( 0.395 0.507 -0.575) 0.863 13.525 ( -0.850 -3.303 0.208) 3.417 13.525 ( -0.850 3.303 0.208) 3.417 13.810 ( -0.288 -1.799 0.789) 1.985 13.810 ( -0.288 1.799 0.789) 1.985 14.038 ( -0.047 -0.333 0.071) 0.344 14.038 ( -0.047 0.333 0.071) 0.344 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -2.377 0.000 18.705) 18.855 0.441 ( -4.412 0.000 20.679) 21.145 0.739 ( -1.418 0.000 34.408) 34.437 1.423 ( 4.136 0.000 -11.161) 11.903 1.439 ( 3.712 0.000 -12.845) 13.371 1.770 ( -1.528 0.000 2.235) 2.707 1.813 ( -11.227 0.000 3.126) 11.654 1.842 ( 0.389 0.000 -3.378) 3.400 1.899 ( -0.278 0.000 5.159) 5.166 2.106 ( -0.740 0.000 2.063) 2.192 2.108 ( 2.748 0.000 -5.547) 6.191 2.255 ( -5.419 0.000 2.974) 6.181 2.386 ( 3.651 0.000 3.538) 5.084 2.423 ( 7.837 0.000 -7.987) 11.190 2.499 ( 2.834 0.000 -0.201) 2.841 2.527 ( -1.973 0.000 0.319) 1.998 2.687 ( 1.291 0.000 2.301) 2.639 2.707 ( 0.922 0.000 -2.731) 2.883 2.841 ( -2.576 0.000 1.032) 2.775 2.885 ( -0.207 0.000 -3.935) 3.941 2.920 ( -5.352 0.000 -0.253) 5.358 3.096 ( 15.022 0.000 -2.221) 15.186 3.112 ( -3.192 0.000 -3.873) 5.019 3.189 ( 1.018 0.000 -0.673) 1.220 3.194 ( -3.772 0.000 1.910) 4.228 3.301 ( -1.011 0.000 -4.862) 4.966 3.440 ( -2.374 0.000 3.512) 4.239 3.450 ( 0.055 0.000 1.894) 1.895 3.520 ( 0.577 0.000 2.377) 2.446 3.599 ( 1.431 0.000 0.262) 1.455 3.609 ( -1.410 0.000 1.614) 2.143 3.724 ( 3.101 0.000 -1.457) 3.426 3.815 ( 3.836 0.000 -2.056) 4.353 3.823 ( -1.249 0.000 -0.408) 1.314 3.964 ( -1.612 0.000 -2.265) 2.780 3.979 ( 0.639 0.000 -3.371) 3.431 4.066 ( 0.770 0.000 2.066) 2.205 4.126 ( -5.507 0.000 0.003) 5.507 4.291 ( -2.123 0.000 4.706) 5.163 4.459 ( -0.331 0.000 0.265) 0.424 4.501 ( -1.154 0.000 3.421) 3.611 4.626 ( -2.557 0.000 0.287) 2.573 4.744 ( 0.999 0.000 -1.764) 2.028 4.790 ( -0.575 0.000 -2.221) 2.294 5.247 ( 3.593 0.000 1.292) 3.818 5.320 ( -1.047 0.000 -0.462) 1.145 6.360 ( 0.159 0.000 0.435) 0.463 6.364 ( -0.322 0.000 0.354) 0.478 8.652 ( 3.627 0.000 -0.064) 3.627 8.660 ( -1.152 0.000 -0.241) 1.177 13.094 ( -7.880 0.000 0.699) 7.911 13.158 ( 2.170 0.000 -0.715) 2.284 13.227 ( -1.197 0.000 0.517) 1.303 13.260 ( 1.370 0.000 -0.225) 1.388 13.531 ( -2.019 0.000 1.577) 2.562 13.661 ( 2.121 0.000 -1.214) 2.444 13.812 ( -2.294 0.000 0.363) 2.323 13.892 ( 4.043 0.000 -2.300) 4.651 13.995 ( -0.703 0.000 2.457) 2.555 14.117 ( 0.828 0.000 -1.045) 1.334 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -2.710 0.000 17.592) 17.800 0.631 ( 0.803 0.000 17.496) 17.514 1.219 ( 13.333 0.000 25.740) 28.988 1.305 ( -1.092 0.000 -16.251) 16.287 1.383 ( 6.419 0.000 -11.322) 13.015 1.637 ( -12.243 0.000 0.960) 12.280 1.767 ( -1.722 0.000 3.706) 4.087 1.832 ( 1.124 0.000 -2.011) 2.303 1.964 ( -0.675 0.000 6.955) 6.988 2.085 ( 3.000 0.000 -6.203) 6.890 2.106 ( 1.456 0.000 -1.069) 1.806 2.227 ( -3.689 0.000 4.097) 5.513 2.429 ( 6.719 0.000 -10.741) 12.669 2.461 ( -0.046 0.000 2.717) 2.718 2.466 ( -7.064 0.000 -0.606) 7.090 2.565 ( 3.678 0.000 1.969) 4.172 2.654 ( -3.449 0.000 -3.963) 5.254 2.701 ( -5.126 0.000 4.568) 6.866 2.742 ( -5.178 0.000 -1.569) 5.410 2.802 ( -1.566 0.000 -1.295) 2.032 2.858 ( -3.850 0.000 -0.881) 3.949 3.036 ( -2.719 0.000 -3.586) 4.500 3.175 ( 1.356 0.000 -1.086) 1.738 3.247 ( 5.917 0.000 0.671) 5.955 3.249 ( -0.419 0.000 -3.052) 3.080 3.293 ( 12.782 0.000 -3.354) 13.214 3.436 ( -3.984 0.000 1.810) 4.376 3.455 ( -0.856 0.000 3.539) 3.641 3.564 ( 2.402 0.000 0.715) 2.506 3.574 ( -3.790 0.000 0.217) 3.796 3.636 ( 3.110 0.000 -0.535) 3.155 3.740 ( 1.777 0.000 -0.152) 1.783 3.830 ( 2.000 0.000 3.556) 4.080 3.891 ( 5.758 0.000 1.342) 5.912 3.904 ( -0.725 0.000 -4.569) 4.626 3.962 ( 1.831 0.000 -3.898) 4.307 4.123 ( 3.283 0.000 2.348) 4.036 4.154 ( 5.273 0.000 -2.992) 6.063 4.298 ( -3.918 0.000 5.121) 6.448 4.443 ( -0.934 0.000 -0.588) 1.103 4.520 ( -1.355 0.000 3.710) 3.950 4.617 ( -1.503 0.000 2.858) 3.229 4.727 ( -0.460 0.000 -1.838) 1.894 4.738 ( -1.966 0.000 -3.126) 3.693 5.285 ( -2.005 0.000 -1.406) 2.448 5.303 ( 1.873 0.000 1.263) 2.259 6.358 ( -0.909 0.000 0.261) 0.945 6.366 ( -0.148 0.000 0.612) 0.629 8.629 ( -1.809 0.000 -0.936) 2.037 8.680 ( 0.826 0.000 0.723) 1.098 13.070 ( 1.293 0.000 -0.657) 1.450 13.213 ( 4.702 0.000 0.308) 4.713 13.215 ( -0.670 0.000 -0.157) 0.688 13.290 ( 2.222 0.000 0.163) 2.228 13.503 ( -3.110 0.000 1.133) 3.309 13.676 ( 1.135 0.000 -0.713) 1.341 13.760 ( -4.061 0.000 -0.446) 4.086 13.918 ( 2.225 0.000 -1.294) 2.574 13.983 ( -3.337 0.000 2.741) 4.318 14.111 ( -0.084 0.000 -0.959) 0.963 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 7.438 0.000 13.071) 15.039 0.823 ( 1.929 0.000 12.024) 12.177 1.073 ( -3.500 0.000 -16.058) 16.435 1.358 ( 7.879 0.000 -12.311) 14.616 1.466 ( -10.197 0.000 1.843) 10.362 1.648 ( 7.469 0.000 15.430) 17.142 1.772 ( -2.902 0.000 1.049) 3.086 1.855 ( 1.967 0.000 4.553) 4.960 2.010 ( -1.722 0.000 5.312) 5.585 2.098 ( 4.500 0.000 -1.689) 4.806 2.134 ( 6.447 0.000 -7.260) 9.709 2.224 ( -3.085 0.000 5.779) 6.551 2.286 ( -10.413 0.000 -3.382) 10.949 2.419 ( -7.578 0.000 1.623) 7.750 2.430 ( 5.217 0.000 -6.610) 8.421 2.535 ( -7.315 0.000 -1.439) 7.455 2.616 ( -5.511 0.000 0.974) 5.596 2.645 ( 4.779 0.000 -2.032) 5.193 2.719 ( -1.131 0.000 1.845) 2.164 2.761 ( 0.513 0.000 -0.641) 0.821 2.846 ( 1.070 0.000 0.111) 1.076 2.944 ( -2.912 0.000 -4.538) 5.392 3.187 ( 1.010 0.000 -4.174) 4.295 3.226 ( -0.830 0.000 3.695) 3.787 3.348 ( 2.870 0.000 2.742) 3.969 3.391 ( -4.106 0.000 2.468) 4.790 3.400 ( 1.690 0.000 1.116) 2.025 3.492 ( 5.477 0.000 -1.794) 5.763 3.571 ( 2.259 0.000 1.166) 2.542 3.606 ( 3.947 0.000 -2.126) 4.483 3.681 ( 4.010 0.000 -1.719) 4.363 3.780 ( 3.453 0.000 -1.213) 3.660 3.826 ( -0.378 0.000 -3.605) 3.625 3.944 ( 4.843 0.000 3.315) 5.870 3.953 ( 1.993 0.000 -3.055) 3.648 4.000 ( 4.948 0.000 1.641) 5.213 4.186 ( 3.535 0.000 -3.921) 5.279 4.208 ( 3.944 0.000 1.152) 4.109 4.278 ( -5.298 0.000 5.560) 7.680 4.425 ( 0.067 0.000 -1.333) 1.334 4.537 ( -1.727 0.000 3.528) 3.928 4.624 ( -1.578 0.000 2.603) 3.044 4.672 ( -1.791 0.000 -2.711) 3.249 4.691 ( -1.832 0.000 -1.284) 2.238 5.233 ( -2.083 0.000 -1.660) 2.664 5.337 ( 0.907 0.000 0.911) 1.285 6.343 ( -1.144 0.000 0.211) 1.164 6.368 ( -0.353 0.000 0.495) 0.608 8.587 ( -1.916 0.000 -1.126) 2.222 8.704 ( 0.907 0.000 0.833) 1.231 13.088 ( 1.975 0.000 -0.824) 2.140 13.200 ( -0.787 0.000 -0.452) 0.907 13.290 ( 3.097 0.000 0.140) 3.100 13.335 ( 3.605 0.000 0.706) 3.673 13.466 ( -2.683 0.000 0.785) 2.795 13.680 ( 0.540 0.000 -0.944) 1.088 13.682 ( -4.945 0.000 -0.056) 4.946 13.918 ( -2.249 0.000 0.681) 2.350 13.980 ( 0.732 0.000 1.188) 1.395 14.099 ( 0.093 0.000 -0.891) 0.895 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.244 0.000 -8.198) 8.202 1.000 ( 0.839 0.000 5.367) 5.432 1.017 ( 13.108 0.000 9.404) 16.133 1.313 ( -1.693 0.000 -5.759) 6.003 1.395 ( 2.384 0.000 -2.274) 3.295 1.722 ( -3.336 0.000 -0.041) 3.336 1.740 ( -5.735 0.000 1.123) 5.844 1.966 ( 2.492 0.000 7.312) 7.725 2.027 ( -5.540 0.000 -10.656) 12.010 2.044 ( -4.448 0.000 8.502) 9.595 2.164 ( 4.628 0.000 -3.226) 5.642 2.212 ( 6.140 0.000 -5.534) 8.266 2.228 ( -4.736 0.000 2.960) 5.585 2.357 ( -2.058 0.000 6.153) 6.488 2.366 ( -6.753 0.000 -1.525) 6.923 2.480 ( 5.026 0.000 -4.886) 7.010 2.550 ( -5.081 0.000 2.123) 5.507 2.672 ( -0.742 0.000 1.129) 1.351 2.733 ( 0.896 0.000 1.658) 1.884 2.821 ( 7.133 0.000 -1.356) 7.261 2.853 ( 0.317 0.000 -1.364) 1.400 2.856 ( -2.323 0.000 -3.311) 4.044 3.136 ( -1.540 0.000 -2.472) 2.912 3.272 ( -1.887 0.000 6.387) 6.660 3.365 ( -1.060 0.000 1.138) 1.555 3.366 ( -2.709 0.000 3.251) 4.232 3.457 ( 1.198 0.000 0.680) 1.377 3.527 ( 1.232 0.000 -0.532) 1.342 3.627 ( 3.515 0.000 -0.361) 3.534 3.650 ( 5.249 0.000 -3.064) 6.078 3.725 ( 4.339 0.000 -2.371) 4.945 3.812 ( 5.271 0.000 -3.531) 6.344 3.837 ( 3.040 0.000 -0.531) 3.086 3.957 ( 1.951 0.000 -2.414) 3.103 4.049 ( 2.397 0.000 3.806) 4.498 4.071 ( 2.429 0.000 0.703) 2.529 4.191 ( 2.497 0.000 -2.991) 3.897 4.215 ( -4.546 0.000 3.004) 5.449 4.302 ( 1.369 0.000 2.551) 2.895 4.415 ( 0.984 0.000 -1.983) 2.214 4.533 ( -2.925 0.000 2.800) 4.049 4.617 ( -1.063 0.000 -0.508) 1.178 4.638 ( 0.107 0.000 -0.911) 0.917 4.651 ( -2.826 0.000 1.473) 3.187 5.192 ( -1.120 0.000 -0.676) 1.308 5.352 ( 0.259 0.000 0.055) 0.265 6.327 ( -1.016 0.000 0.073) 1.018 6.365 ( -0.421 0.000 -0.049) 0.424 8.551 ( -1.163 0.000 -0.601) 1.309 8.722 ( 0.616 0.000 -0.046) 0.618 13.117 ( 1.936 0.000 0.583) 2.022 13.184 ( -0.928 0.000 0.233) 0.957 13.312 ( 0.123 0.000 0.887) 0.895 13.401 ( 2.194 0.000 -0.293) 2.213 13.440 ( -0.401 0.000 0.310) 0.507 13.616 ( -3.722 0.000 0.966) 3.845 13.672 ( 0.355 0.000 -1.693) 1.730 13.878 ( -3.261 0.000 0.553) 3.307 14.012 ( 1.748 0.000 0.116) 1.751 14.095 ( 0.530 0.000 -0.937) 1.077 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 7.034 0.000 3.060) 7.671 1.027 ( -3.502 0.000 1.966) 4.016 1.243 ( -1.364 0.000 -1.751) 2.219 1.321 ( 13.553 0.000 6.033) 14.835 1.405 ( -2.439 0.000 -0.687) 2.534 1.601 ( -4.144 0.000 -5.705) 7.052 1.676 ( -1.748 0.000 -0.617) 1.854 1.836 ( -3.068 0.000 -10.619) 11.053 2.015 ( -11.170 0.000 7.661) 13.545 2.060 ( 1.279 0.000 3.705) 3.919 2.142 ( 0.797 0.000 -1.108) 1.365 2.228 ( 0.515 0.000 -2.431) 2.485 2.242 ( 2.589 0.000 -4.724) 5.387 2.318 ( 2.595 0.000 1.938) 3.239 2.361 ( -1.032 0.000 -1.262) 1.631 2.510 ( -6.436 0.000 6.303) 9.008 2.516 ( 5.725 0.000 -4.498) 7.281 2.648 ( -3.063 0.000 0.594) 3.120 2.791 ( 0.982 0.000 2.713) 2.885 2.806 ( 0.862 0.000 -1.042) 1.352 2.822 ( -0.597 0.000 -3.374) 3.426 2.931 ( 7.222 0.000 -0.755) 7.262 3.097 ( -1.292 0.000 -0.380) 1.347 3.279 ( -5.152 0.000 5.896) 7.830 3.344 ( -1.254 0.000 -3.073) 3.319 3.389 ( -0.993 0.000 5.668) 5.754 3.429 ( 0.219 0.000 -1.412) 1.429 3.593 ( 0.963 0.000 6.334) 6.406 3.653 ( 0.968 0.000 -1.983) 2.207 3.702 ( 4.729 0.000 -2.550) 5.372 3.768 ( 3.587 0.000 -1.456) 3.872 3.844 ( 1.343 0.000 -2.051) 2.451 3.880 ( 4.445 0.000 -3.307) 5.541 3.947 ( 0.821 0.000 -3.633) 3.725 4.081 ( -1.986 0.000 2.073) 2.871 4.103 ( 0.906 0.000 0.516) 1.042 4.176 ( -4.851 0.000 3.705) 6.104 4.220 ( 2.897 0.000 0.231) 2.906 4.331 ( 0.084 0.000 0.521) 0.528 4.414 ( 1.674 0.000 -2.261) 2.813 4.521 ( -2.588 0.000 3.243) 4.149 4.597 ( 0.461 0.000 -0.689) 0.829 4.629 ( -2.622 0.000 1.737) 3.145 4.640 ( 0.594 0.000 -0.234) 0.639 5.187 ( 0.202 0.000 1.018) 1.037 5.348 ( -0.119 0.000 -0.833) 0.842 6.315 ( -0.485 0.000 -0.096) 0.495 6.354 ( -0.299 0.000 -0.755) 0.812 8.542 ( 0.153 0.000 0.598) 0.618 8.718 ( -0.121 0.000 -1.424) 1.429 13.162 ( 1.503 0.000 2.400) 2.832 13.181 ( -0.587 0.000 1.749) 1.845 13.326 ( -0.814 0.000 2.367) 2.503 13.398 ( 0.530 0.000 -0.729) 0.901 13.453 ( 0.593 0.000 -1.157) 1.300 13.583 ( -1.928 0.000 1.379) 2.370 13.656 ( 0.680 0.000 -2.692) 2.776 13.832 ( -2.070 0.000 -0.891) 2.254 14.029 ( 0.617 0.000 -0.482) 0.783 14.093 ( 0.560 0.000 -1.105) 1.239 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -10.011 0.000 0.147) 10.012 1.110 ( 10.821 0.000 10.138) 14.829 1.185 ( -13.954 0.000 1.739) 14.062 1.274 ( -1.850 0.000 -0.568) 1.935 1.537 ( 5.762 0.000 0.315) 5.770 1.594 ( 9.650 0.000 -5.911) 11.316 1.659 ( 1.034 0.000 -1.560) 1.872 1.707 ( 0.831 0.000 -8.995) 9.034 1.885 ( -10.345 0.000 1.437) 10.444 2.109 ( 2.862 0.000 -0.271) 2.875 2.137 ( -4.661 0.000 -1.011) 4.769 2.171 ( 0.058 0.000 0.779) 0.781 2.220 ( -0.196 0.000 -2.279) 2.287 2.376 ( 3.728 0.000 -1.101) 3.887 2.407 ( 5.207 0.000 -0.643) 5.247 2.469 ( -5.954 0.000 6.200) 8.596 2.565 ( 4.711 0.000 -1.444) 4.927 2.604 ( -2.386 0.000 0.245) 2.398 2.771 ( -2.188 0.000 0.675) 2.290 2.778 ( 0.578 0.000 -3.601) 3.647 2.873 ( 3.903 0.000 -0.369) 3.921 3.018 ( 4.632 0.000 -1.160) 4.775 3.083 ( -1.719 0.000 1.792) 2.483 3.268 ( -3.321 0.000 5.412) 6.350 3.292 ( 0.191 0.000 -3.117) 3.123 3.437 ( -2.099 0.000 7.119) 7.422 3.445 ( 0.486 0.000 2.089) 2.145 3.603 ( -3.309 0.000 -3.624) 4.907 3.662 ( -0.615 0.000 4.379) 4.422 3.734 ( 2.068 0.000 -1.715) 2.687 3.792 ( -0.097 0.000 -0.478) 0.488 3.814 ( -0.515 0.000 -3.739) 3.774 3.887 ( 1.157 0.000 -3.597) 3.778 3.918 ( 1.855 0.000 -4.409) 4.783 4.054 ( -3.912 0.000 2.242) 4.509 4.105 ( -1.817 0.000 0.337) 1.848 4.150 ( -2.473 0.000 2.941) 3.842 4.277 ( 2.661 0.000 1.814) 3.220 4.319 ( -1.887 0.000 -0.003) 1.887 4.415 ( 1.731 0.000 -2.267) 2.852 4.511 ( -2.694 0.000 2.115) 3.425 4.600 ( -2.776 0.000 0.981) 2.944 4.627 ( 2.952 0.000 0.646) 3.022 4.656 ( 1.479 0.000 0.712) 1.641 5.217 ( 1.148 0.000 2.218) 2.497 5.330 ( -0.446 0.000 -1.762) 1.818 6.312 ( 0.298 0.000 -0.069) 0.305 6.342 ( 0.090 0.000 -1.092) 1.096 8.567 ( 1.182 0.000 1.782) 2.138 8.687 ( -0.792 0.000 -2.786) 2.896 13.198 ( -0.508 0.000 3.782) 3.816 13.220 ( 0.894 0.000 3.657) 3.765 13.332 ( -1.109 0.000 1.447) 1.823 13.408 ( -0.820 0.000 -2.364) 2.502 13.423 ( 0.008 0.000 -0.447) 0.447 13.598 ( 1.178 0.000 3.115) 3.330 13.636 ( 1.342 0.000 -3.845) 4.072 13.794 ( -0.199 0.000 -2.681) 2.689 14.022 ( -0.738 0.000 -0.377) 0.829 14.088 ( 0.463 0.000 -1.295) 1.376 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -13.818 0.000 -0.258) 13.820 0.909 ( -20.177 0.000 2.543) 20.336 1.285 ( -2.516 0.000 -4.856) 5.469 1.402 ( 9.579 0.000 10.821) 14.452 1.459 ( -5.260 0.000 -5.525) 7.629 1.627 ( 1.656 0.000 -5.572) 5.813 1.669 ( 5.659 0.000 -2.461) 6.171 1.718 ( 5.903 0.000 -1.297) 6.044 1.827 ( -3.003 0.000 6.627) 7.276 2.089 ( -0.475 0.000 1.335) 1.417 2.103 ( -0.225 0.000 -6.024) 6.028 2.180 ( 0.537 0.000 -0.386) 0.661 2.227 ( 3.213 0.000 0.462) 3.246 2.431 ( 4.093 0.000 0.533) 4.128 2.435 ( 2.840 0.000 -5.253) 5.972 2.491 ( -1.116 0.000 6.188) 6.288 2.594 ( 0.768 0.000 0.173) 0.787 2.631 ( 2.576 0.000 1.922) 3.214 2.739 ( -2.125 0.000 0.149) 2.131 2.774 ( 2.337 0.000 -1.411) 2.730 2.911 ( 3.629 0.000 -3.546) 5.074 3.056 ( 3.498 0.000 -2.996) 4.606 3.079 ( -3.113 0.000 4.888) 5.795 3.281 ( 1.534 0.000 -2.477) 2.913 3.298 ( -0.112 0.000 4.358) 4.360 3.473 ( -1.699 0.000 -3.426) 3.825 3.473 ( -3.212 0.000 7.102) 7.795 3.486 ( -4.895 0.000 3.828) 6.214 3.654 ( -3.975 0.000 0.683) 4.033 3.728 ( -0.787 0.000 -1.193) 1.429 3.742 ( -4.960 0.000 -0.686) 5.007 3.753 ( -0.996 0.000 -5.327) 5.419 3.848 ( -1.655 0.000 -2.194) 2.749 3.914 ( 3.292 0.000 -5.310) 6.248 4.022 ( -3.312 0.000 2.863) 4.378 4.060 ( -3.893 0.000 1.009) 4.022 4.149 ( -1.398 0.000 1.295) 1.906 4.275 ( -3.622 0.000 0.742) 3.697 4.337 ( 1.913 0.000 2.090) 2.833 4.427 ( 2.834 0.000 -2.044) 3.494 4.485 ( -2.025 0.000 0.754) 2.161 4.566 ( -3.005 0.000 1.371) 3.303 4.686 ( 3.000 0.000 0.693) 3.079 4.704 ( 2.740 0.000 1.529) 3.138 5.264 ( 1.396 0.000 2.304) 2.693 5.296 ( -0.673 0.000 -2.581) 2.667 6.322 ( 0.906 0.000 0.192) 0.926 6.336 ( 0.575 0.000 -0.848) 1.025 8.611 ( 1.340 0.000 2.213) 2.587 8.636 ( -0.971 0.000 -3.656) 3.782 13.239 ( -0.483 0.000 4.506) 4.532 13.271 ( -0.494 0.000 5.332) 5.355 13.312 ( -2.421 0.000 -1.850) 3.047 13.328 ( -2.318 0.000 -3.035) 3.819 13.451 ( 1.046 0.000 2.078) 2.326 13.617 ( 2.379 0.000 -4.800) 5.358 13.681 ( 3.267 0.000 4.447) 5.518 13.768 ( 1.519 0.000 -4.177) 4.445 14.003 ( -1.549 0.000 0.393) 1.598 14.082 ( 0.832 0.000 -1.403) 1.631 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -15.701 0.000 4.868) 16.438 0.600 ( -18.729 0.000 -4.162) 19.186 0.961 ( -25.925 0.000 2.544) 26.050 1.482 ( 7.128 0.000 -4.583) 8.474 1.541 ( 3.070 0.000 -5.533) 6.328 1.674 ( 6.111 0.000 2.063) 6.449 1.743 ( 5.092 0.000 0.752) 5.147 1.831 ( 4.927 0.000 5.219) 7.177 1.842 ( -5.291 0.000 9.332) 10.727 2.022 ( -0.817 0.000 -4.533) 4.606 2.132 ( 2.069 0.000 0.731) 2.195 2.202 ( 3.902 0.000 -0.642) 3.955 2.298 ( 6.345 0.000 -2.311) 6.753 2.418 ( 2.648 0.000 -4.373) 5.112 2.494 ( -6.047 0.000 2.574) 6.572 2.529 ( 5.885 0.000 2.009) 6.219 2.607 ( -0.849 0.000 1.042) 1.344 2.682 ( 3.331 0.000 -0.777) 3.421 2.738 ( 1.641 0.000 1.729) 2.384 2.805 ( 2.957 0.000 -1.432) 3.286 2.909 ( 2.879 0.000 -6.701) 7.294 3.060 ( 1.553 0.000 -3.663) 3.979 3.119 ( -1.241 0.000 8.838) 8.924 3.246 ( -0.720 0.000 -5.910) 5.954 3.340 ( 0.961 0.000 1.472) 1.759 3.377 ( -3.712 0.000 0.665) 3.771 3.489 ( -3.449 0.000 5.666) 6.633 3.519 ( -0.690 0.000 2.435) 2.531 3.574 ( -5.786 0.000 2.820) 6.437 3.626 ( -7.480 0.000 -1.943) 7.728 3.666 ( -1.819 0.000 -6.151) 6.414 3.692 ( -2.815 0.000 -0.049) 2.816 3.796 ( -2.632 0.000 -0.632) 2.707 3.875 ( 0.305 0.000 -6.718) 6.725 4.010 ( -1.808 0.000 2.056) 2.738 4.031 ( -1.490 0.000 1.932) 2.440 4.107 ( -3.934 0.000 -1.126) 4.092 4.250 ( -1.768 0.000 2.984) 3.469 4.382 ( 1.741 0.000 1.043) 2.030 4.451 ( 2.990 0.000 -3.849) 4.874 4.473 ( -0.913 0.000 1.356) 1.634 4.547 ( -2.543 0.000 4.877) 5.500 4.730 ( 2.007 0.000 -0.040) 2.008 4.764 ( 2.716 0.000 0.865) 2.850 5.255 ( -0.514 0.000 -3.103) 3.146 5.305 ( 0.993 0.000 1.583) 1.869 6.341 ( 0.776 0.000 -0.308) 0.835 6.342 ( 0.961 0.000 0.446) 1.060 8.581 ( -0.848 0.000 -3.411) 3.515 8.651 ( 0.711 0.000 1.753) 1.892 13.224 ( -3.133 0.000 -3.043) 4.367 13.257 ( -1.809 0.000 2.105) 2.776 13.284 ( -0.941 0.000 -2.066) 2.270 13.346 ( 0.385 0.000 8.775) 8.784 13.495 ( 0.797 0.000 2.796) 2.907 13.608 ( 3.483 0.000 -5.685) 6.667 13.748 ( 1.818 0.000 -4.342) 4.707 13.775 ( 2.148 0.000 3.759) 4.329 13.983 ( -1.940 0.000 1.057) 2.209 14.087 ( 1.753 0.000 -1.349) 2.212 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( -14.339 0.000 1.713) 14.440 0.368 ( -13.120 0.000 16.038) 20.721 0.681 ( -26.432 0.000 24.419) 35.985 1.490 ( 4.324 0.000 -10.683) 11.525 1.501 ( 3.674 0.000 -10.151) 10.795 1.751 ( 2.483 0.000 -0.054) 2.484 1.844 ( 4.511 0.000 1.544) 4.768 1.879 ( -4.864 0.000 9.369) 10.556 1.887 ( -2.700 0.000 0.616) 2.769 2.049 ( 4.370 0.000 2.372) 4.972 2.134 ( 0.145 0.000 -2.991) 2.994 2.285 ( 4.236 0.000 1.982) 4.677 2.368 ( 6.484 0.000 -3.649) 7.440 2.374 ( -8.990 0.000 -0.206) 8.992 2.443 ( 4.425 0.000 -1.535) 4.684 2.576 ( -2.601 0.000 -1.158) 2.847 2.625 ( 4.621 0.000 -1.126) 4.757 2.713 ( 2.663 0.000 -3.031) 4.035 2.805 ( 2.605 0.000 1.140) 2.844 2.848 ( 4.155 0.000 -0.614) 4.200 2.898 ( 4.045 0.000 2.749) 4.891 3.022 ( -1.892 0.000 -3.499) 3.978 3.180 ( 0.206 0.000 -4.052) 4.058 3.199 ( -2.526 0.000 8.597) 8.960 3.293 ( -6.954 0.000 -3.960) 8.003 3.352 ( 0.637 0.000 -1.978) 2.079 3.461 ( -4.494 0.000 1.851) 4.861 3.478 ( -6.229 0.000 -0.537) 6.252 3.498 ( -1.430 0.000 1.817) 2.312 3.582 ( -0.044 0.000 -1.967) 1.968 3.642 ( -4.158 0.000 1.503) 4.421 3.648 ( 4.494 0.000 4.725) 6.521 3.767 ( -1.025 0.000 2.658) 2.849 3.815 ( 1.350 0.000 -5.246) 5.417 3.999 ( -1.378 0.000 0.119) 1.383 4.024 ( -2.803 0.000 -0.994) 2.974 4.045 ( -0.032 0.000 0.342) 0.344 4.268 ( -1.280 0.000 4.078) 4.274 4.357 ( -4.518 0.000 -9.392) 10.422 4.441 ( 1.567 0.000 0.128) 1.572 4.483 ( -0.786 0.000 2.574) 2.691 4.623 ( 3.553 0.000 4.407) 5.661 4.745 ( 0.936 0.000 -1.776) 2.008 4.800 ( 1.338 0.000 -0.639) 1.482 5.210 ( -0.926 0.000 -1.902) 2.115 5.327 ( 0.105 0.000 0.590) 0.599 6.352 ( 0.557 0.000 0.162) 0.580 6.359 ( 0.439 0.000 0.478) 0.649 8.560 ( 1.432 0.000 1.980) 2.444 8.669 ( -0.243 0.000 0.771) 0.808 13.163 ( -0.897 0.000 -1.963) 2.159 13.241 ( -1.907 0.000 0.859) 2.092 13.256 ( -0.009 0.000 -1.209) 1.209 13.370 ( -6.832 0.000 -9.698) 11.863 13.528 ( -0.346 0.000 2.314) 2.339 13.621 ( 4.919 0.000 -1.363) 5.104 13.773 ( 5.244 0.000 4.511) 6.918 13.821 ( -0.310 0.000 1.989) 2.013 13.968 ( -1.710 0.000 2.394) 2.942 14.105 ( 1.988 0.000 -1.146) 2.294 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 2.696 8.516 13.359) 16.071 0.590 ( -2.979 13.335 12.323) 18.400 1.000 ( -3.302 16.697 22.787) 28.442 1.407 ( 3.951 -0.737 -9.493) 10.309 1.451 ( 3.587 0.740 -11.864) 12.416 1.687 ( -0.990 -8.597 0.716) 8.684 1.783 ( -0.249 0.574 1.540) 1.662 1.814 ( -7.480 -1.369 6.394) 9.935 1.961 ( -2.381 3.109 -2.971) 4.915 2.050 ( 4.207 -3.750 -4.686) 7.329 2.151 ( -0.675 1.799 0.568) 2.004 2.215 ( -4.987 -4.418 -0.368) 6.673 2.331 ( 3.651 -1.588 3.728) 5.455 2.371 ( -0.008 -7.434 3.798) 8.348 2.517 ( 5.778 3.051 -6.255) 9.045 2.587 ( -1.472 3.543 0.544) 3.874 2.669 ( 1.411 -2.594 0.886) 3.083 2.719 ( 3.598 0.511 0.873) 3.738 2.759 ( -3.380 -3.438 1.987) 5.215 2.881 ( -2.707 0.555 -4.938) 5.659 2.944 ( -0.593 2.336 -1.970) 3.112 3.004 ( -5.639 -4.394 -0.941) 7.211 3.113 ( 9.048 1.489 -1.296) 9.261 3.194 ( -0.114 -0.728 0.993) 1.237 3.307 ( -1.507 0.297 -3.974) 4.261 3.315 ( 1.484 3.827 -1.377) 4.330 3.423 ( 0.644 -1.684 1.371) 2.265 3.495 ( 0.199 3.476 0.806) 3.574 3.549 ( -1.724 1.113 0.711) 2.172 3.568 ( -1.343 -0.476 0.055) 1.425 3.612 ( 0.220 0.599 3.037) 3.103 3.658 ( 1.818 -2.294 -2.236) 3.683 3.818 ( 0.026 0.668 1.823) 1.942 3.879 ( 2.613 1.261 -0.069) 2.902 3.926 ( 1.436 -1.328 -0.213) 1.968 4.016 ( -0.061 1.289 -1.903) 2.299 4.071 ( 1.287 -0.261 0.122) 1.319 4.117 ( -5.416 -0.253 0.455) 5.441 4.278 ( -1.610 0.364 1.506) 2.234 4.417 ( -0.030 -1.660 -1.082) 1.982 4.509 ( -1.288 0.033 3.673) 3.892 4.585 ( -0.479 -1.513 3.278) 3.642 4.722 ( 0.807 -1.357 -1.923) 2.488 4.789 ( -0.842 -1.201 -1.177) 1.881 5.235 ( 1.283 0.267 1.579) 2.052 5.387 ( -0.191 1.274 -4.714) 4.887 6.365 ( -0.099 0.370 0.354) 0.521 6.369 ( 0.042 0.378 0.423) 0.569 8.600 ( 1.259 -0.258 2.078) 2.444 8.729 ( -0.024 0.740 -3.229) 3.312 13.080 ( -4.128 -0.664 1.173) 4.342 13.134 ( 1.096 -1.614 -0.219) 1.963 13.252 ( -0.145 1.654 0.003) 1.660 13.272 ( 1.078 0.924 -0.241) 1.440 13.596 ( -1.934 4.029 -1.364) 4.672 13.675 ( 2.121 1.547 -1.342) 2.949 13.815 ( -1.586 -0.051 0.624) 1.705 13.869 ( 2.696 -1.356 0.967) 3.169 13.978 ( -1.440 0.270 2.787) 3.149 14.100 ( 0.690 -1.488 -0.748) 1.803 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.110 8.336 14.269) 16.526 0.719 ( 3.445 9.485 11.862) 15.574 1.265 ( 3.716 3.539 6.532) 8.307 1.334 ( 3.857 0.338 -3.645) 5.317 1.395 ( 4.823 2.059 -10.331) 11.586 1.623 ( -9.358 -0.836 3.293) 9.955 1.747 ( -2.435 -5.346 -0.031) 5.875 1.820 ( 0.706 3.281 2.681) 4.295 1.945 ( 1.493 -1.916 1.483) 2.846 2.064 ( 2.307 -1.600 -2.489) 3.752 2.134 ( 0.256 2.508 -1.935) 3.178 2.159 ( -2.981 -5.727 2.114) 6.794 2.355 ( -5.477 -6.871 0.631) 8.809 2.429 ( 2.274 -1.302 3.411) 4.301 2.502 ( 0.414 2.199 -4.848) 5.340 2.594 ( 2.650 -0.533 -0.008) 2.703 2.652 ( -6.370 0.166 1.568) 6.563 2.665 ( -4.793 -2.164 -2.403) 5.782 2.703 ( -4.555 0.251 2.253) 5.088 2.850 ( -0.655 2.296 -2.941) 3.788 2.889 ( -1.022 3.445 -0.761) 3.673 2.943 ( -0.659 -4.137 -1.529) 4.460 3.190 ( 3.411 -3.970 -4.677) 7.019 3.249 ( 0.742 3.628 -1.394) 3.957 3.280 ( 4.789 0.228 0.716) 4.848 3.341 ( 6.926 3.291 -2.124) 7.957 3.427 ( -3.189 -1.661 2.038) 4.133 3.495 ( -1.736 2.909 -0.386) 3.409 3.551 ( -0.017 3.708 1.764) 4.106 3.576 ( 3.111 -0.198 -0.200) 3.123 3.679 ( 3.774 0.671 1.449) 4.098 3.698 ( 5.340 -4.206 -0.008) 6.797 3.828 ( 0.129 -1.124 0.660) 1.310 3.916 ( 0.005 1.578 -1.474) 2.160 3.942 ( 1.575 3.379 -0.117) 3.729 3.971 ( 1.073 1.989 -2.559) 3.415 4.106 ( 2.648 -1.513 1.733) 3.508 4.135 ( 4.795 -1.515 -1.613) 5.281 4.278 ( -2.438 -0.392 3.587) 4.355 4.408 ( 0.394 -1.979 -1.151) 2.323 4.518 ( -1.943 -0.367 3.145) 3.715 4.607 ( -1.268 -1.071 3.178) 3.586 4.708 ( -0.226 -1.156 -1.600) 1.987 4.742 ( -2.402 -0.569 -2.218) 3.318 5.269 ( 0.193 -0.429 1.077) 1.175 5.330 ( -0.902 0.803 -2.429) 2.713 6.361 ( -0.810 0.341 0.329) 0.939 6.373 ( -0.197 0.481 0.468) 0.699 8.630 ( -0.250 0.243 0.645) 0.733 8.687 ( -0.714 0.191 -1.157) 1.373 13.069 ( 0.938 0.050 -0.138) 0.950 13.165 ( 2.058 -2.148 0.342) 2.995 13.261 ( 1.700 1.954 -0.332) 2.612 13.301 ( 2.404 0.788 0.072) 2.530 13.543 ( -3.625 3.058 0.041) 4.743 13.686 ( 0.768 1.125 -1.069) 1.732 13.773 ( -3.422 0.836 -0.143) 3.526 13.904 ( 0.950 -1.433 0.276) 1.741 13.981 ( -1.589 0.602 2.350) 2.900 14.095 ( -0.082 -1.229 -0.704) 1.419 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 4.731 7.534 12.280) 15.164 0.911 ( 5.295 7.515 8.787) 12.717 1.098 ( -3.071 2.817 -15.909) 16.446 1.364 ( 6.190 -0.021 -9.857) 11.639 1.459 ( -7.178 -1.144 1.627) 7.448 1.589 ( 1.528 -3.754 8.895) 9.775 1.721 ( -0.605 -5.993 0.235) 6.029 1.883 ( 0.580 4.427 5.098) 6.777 2.014 ( 3.393 -3.022 2.908) 5.395 2.044 ( -2.706 -4.538 -1.520) 5.498 2.113 ( -2.134 -0.619 -0.648) 2.315 2.165 ( 2.771 -3.588 -1.377) 4.738 2.265 ( -5.401 0.002 2.617) 6.002 2.395 ( -6.294 -0.839 -0.986) 6.426 2.498 ( 0.862 0.553 -1.694) 1.979 2.556 ( -4.077 2.276 -0.150) 4.672 2.588 ( -3.047 -0.463 -0.260) 3.093 2.631 ( 1.568 -0.321 -0.380) 1.645 2.691 ( 0.700 -3.815 2.886) 4.834 2.786 ( -2.440 1.645 -0.762) 3.040 2.878 ( -1.568 3.384 -0.082) 3.731 2.943 ( 3.469 2.141 -3.503) 5.375 3.165 ( 2.039 -1.729 -5.203) 5.849 3.239 ( -2.060 0.390 1.738) 2.723 3.366 ( 1.432 -0.986 0.292) 1.762 3.405 ( 2.682 -2.375 -0.676) 3.645 3.434 ( 2.610 2.578 1.049) 3.816 3.454 ( -2.261 3.879 0.497) 4.517 3.586 ( 2.765 1.054 0.949) 3.108 3.637 ( 4.695 1.271 -0.945) 4.955 3.745 ( 5.790 2.087 -2.115) 6.508 3.793 ( 4.374 -0.359 -0.092) 4.389 3.842 ( -0.989 2.478 -0.152) 2.672 3.891 ( 2.637 -1.957 0.390) 3.307 3.942 ( 2.393 -0.611 -3.471) 4.260 4.030 ( 3.238 1.881 2.097) 4.292 4.174 ( 3.617 -1.278 -2.521) 4.590 4.183 ( 3.308 -1.368 0.962) 3.707 4.272 ( -3.544 0.062 4.392) 5.644 4.406 ( 1.229 -1.402 -1.414) 2.340 4.524 ( -1.613 -0.960 3.139) 3.657 4.611 ( -1.740 -1.582 1.814) 2.971 4.675 ( -2.327 -0.140 -2.261) 3.247 4.681 ( -1.937 -0.703 -0.363) 2.093 5.242 ( -1.863 0.724 -1.572) 2.542 5.329 ( 0.702 -0.736 0.718) 1.245 6.348 ( -1.112 0.427 0.194) 1.207 6.372 ( -0.423 0.295 0.357) 0.627 8.600 ( -1.861 1.086 -1.230) 2.481 8.695 ( 0.753 -0.733 0.827) 1.338 13.090 ( 1.904 0.260 -0.340) 1.951 13.185 ( 0.216 -1.200 0.017) 1.220 13.302 ( 3.075 1.010 -0.215) 3.244 13.345 ( 3.076 0.639 0.029) 3.142 13.487 ( -3.511 1.898 0.450) 4.017 13.667 ( -2.268 0.168 -0.549) 2.340 13.723 ( -1.915 2.141 -0.190) 2.879 13.905 ( -1.877 -1.134 1.082) 2.446 13.990 ( 0.666 0.889 0.928) 1.448 14.086 ( -0.014 -1.062 -0.733) 1.291 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.341 4.761 -9.291) 10.445 1.020 ( 3.066 3.142 7.389) 8.595 1.108 ( 10.408 6.621 5.633) 13.561 1.324 ( -2.380 0.444 -5.337) 5.860 1.391 ( 0.782 -0.249 -0.154) 0.835 1.632 ( 0.487 -6.821 -1.483) 6.998 1.738 ( -3.842 -2.472 3.457) 5.729 1.887 ( -4.214 -6.082 -1.524) 7.555 1.958 ( -2.794 -1.276 1.906) 3.615 2.077 ( 0.043 -4.577 -3.757) 5.922 2.104 ( -1.676 1.010 6.149) 6.453 2.174 ( -4.962 -1.424 1.776) 5.459 2.212 ( 2.965 -1.011 -2.502) 4.010 2.303 ( -2.942 -0.366 -1.751) 3.443 2.483 ( 1.142 0.184 0.292) 1.193 2.510 ( -2.999 -0.864 -1.912) 3.660 2.586 ( 2.776 7.422 -0.368) 7.933 2.657 ( -0.422 -3.380 2.080) 3.991 2.737 ( 0.122 -0.080 2.955) 2.959 2.764 ( -0.389 -0.720 0.429) 0.924 2.852 ( -0.782 3.876 -0.631) 4.004 2.962 ( 4.817 4.615 -4.814) 8.226 3.145 ( 0.849 0.733 -2.295) 2.554 3.238 ( -2.175 -2.297 4.354) 5.382 3.357 ( -2.173 -2.404 1.763) 3.689 3.404 ( -0.782 0.743 -2.160) 2.415 3.435 ( 0.391 1.521 -0.123) 1.575 3.513 ( 2.797 1.381 3.213) 4.478 3.635 ( 2.061 -0.009 -0.702) 2.178 3.695 ( 4.880 1.127 -2.353) 5.533 3.813 ( 4.187 0.071 -2.909) 5.099 3.821 ( 2.575 6.802 -2.198) 7.598 3.850 ( 3.490 1.575 0.643) 3.882 3.936 ( 1.767 -3.421 -1.387) 4.092 3.990 ( 4.584 -1.888 1.072) 5.072 4.092 ( 1.127 1.058 2.487) 2.928 4.168 ( -0.487 -1.023 -1.673) 2.021 4.226 ( -0.316 0.281 1.178) 1.252 4.281 ( 0.237 -1.171 2.296) 2.588 4.415 ( 1.490 -0.549 -1.104) 1.934 4.529 ( -2.228 -0.555 2.843) 3.654 4.594 ( -0.832 -2.043 -0.783) 2.341 4.626 ( -1.061 -0.913 -1.151) 1.812 4.650 ( -2.691 -0.227 1.463) 3.072 5.204 ( -1.023 1.060 -0.708) 1.634 5.343 ( 0.269 -0.796 0.211) 0.867 6.332 ( -1.001 0.427 0.044) 1.089 6.367 ( -0.465 0.122 -0.095) 0.490 8.564 ( -1.109 1.169 -0.661) 1.741 8.711 ( 0.431 -0.968 0.066) 1.062 13.122 ( 1.908 0.469 0.739) 2.099 13.183 ( -0.555 -0.139 0.443) 0.724 13.332 ( 0.751 1.495 0.577) 1.770 13.394 ( 2.481 -0.503 -0.500) 2.580 13.446 ( -1.573 0.841 0.010) 1.783 13.621 ( -3.063 0.440 0.865) 3.213 13.702 ( -0.195 2.325 -1.285) 2.664 13.874 ( -2.827 -0.368 0.516) 2.898 14.016 ( 1.559 0.350 0.082) 1.600 14.079 ( 0.259 -1.226 -0.864) 1.522 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 6.294 3.446 2.285) 7.530 1.062 ( -3.189 3.399 1.330) 4.847 1.250 ( -0.908 0.019 -1.963) 2.163 1.352 ( 10.796 1.798 3.833) 11.597 1.405 ( -0.530 0.120 0.885) 1.039 1.611 ( -4.349 0.456 -3.328) 5.495 1.655 ( -0.841 -1.251 0.074) 1.509 1.781 ( -1.830 -5.436 -5.591) 8.010 1.940 ( -7.405 -6.292 -4.687) 10.788 1.998 ( -0.581 -1.641 4.707) 5.019 2.122 ( -3.659 -1.182 5.167) 6.441 2.165 ( -0.008 -0.486 1.810) 1.874 2.250 ( 4.331 -0.510 -2.593) 5.073 2.296 ( 2.047 -2.327 1.082) 3.282 2.416 ( -3.575 1.163 -4.304) 5.715 2.519 ( 4.342 -2.122 -3.299) 5.851 2.597 ( -2.963 4.519 -0.197) 5.408 2.659 ( -0.221 -3.610 0.924) 3.733 2.739 ( -3.184 6.750 2.105) 7.755 2.775 ( 0.262 -4.284 0.879) 4.381 2.845 ( 0.575 4.085 -0.699) 4.184 2.990 ( 5.973 1.418 -5.889) 8.507 3.163 ( 1.539 5.737 2.408) 6.409 3.252 ( -3.626 -2.013 5.672) 7.026 3.342 ( -0.402 -2.148 -1.098) 2.446 3.369 ( -1.073 0.619 0.939) 1.555 3.464 ( 0.875 2.021 2.630) 3.431 3.585 ( 0.992 -0.079 4.150) 4.267 3.635 ( 0.262 -0.752 -1.515) 1.711 3.738 ( 3.829 1.296 -3.018) 5.045 3.811 ( 1.353 2.415 -2.992) 4.077 3.856 ( 1.721 0.410 -1.453) 2.289 3.904 ( 3.188 2.243 -2.058) 4.408 3.947 ( 1.805 -1.432 -1.681) 2.853 4.053 ( 1.889 -0.119 1.015) 2.148 4.095 ( -3.029 0.389 0.936) 3.195 4.156 ( -1.821 -1.211 2.465) 3.295 4.231 ( 0.289 0.718 1.301) 1.513 4.304 ( 0.608 -2.028 0.195) 2.126 4.427 ( 1.147 0.049 -0.908) 1.464 4.519 ( -2.348 -0.248 2.327) 3.315 4.578 ( 0.415 -1.735 -0.703) 1.917 4.615 ( -0.818 -1.279 0.612) 1.636 4.628 ( -1.104 -0.766 0.650) 1.493 5.198 ( 0.216 1.014 0.759) 1.285 5.341 ( -0.200 -0.716 -0.724) 1.038 6.320 ( -0.444 0.465 -0.059) 0.646 6.356 ( -0.273 0.131 -0.663) 0.728 8.555 ( 0.160 1.170 0.513) 1.288 8.707 ( -0.172 -0.979 -1.163) 1.530 13.165 ( 1.138 0.225 2.196) 2.484 13.185 ( -0.407 0.318 1.712) 1.788 13.351 ( -0.525 2.113 2.514) 3.325 13.400 ( 0.511 0.116 -0.603) 0.799 13.442 ( 0.694 -0.690 -1.576) 1.855 13.594 ( -1.757 0.665 1.312) 2.291 13.683 ( 0.429 2.262 -2.527) 3.418 13.832 ( -1.907 -0.046 -0.974) 2.142 14.032 ( 0.585 0.203 -0.544) 0.825 14.075 ( 0.435 -1.459 -0.931) 1.785 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -9.506 3.207 -0.412) 10.041 1.124 ( 7.712 1.542 7.739) 11.033 1.255 ( 1.450 2.319 1.288) 3.023 1.296 ( -9.676 3.399 0.946) 10.299 1.495 ( 0.467 -2.622 -0.490) 2.708 1.565 ( 4.046 -0.718 -1.748) 4.466 1.701 ( 4.992 0.933 -4.437) 6.744 1.720 ( 4.056 -0.129 -5.816) 7.092 1.798 ( -4.629 -5.860 -0.763) 7.507 2.021 ( -1.538 -2.959 3.944) 5.164 2.096 ( -2.228 -1.557 -0.340) 2.739 2.189 ( -1.239 -0.164 1.570) 2.007 2.293 ( 0.593 1.496 -3.499) 3.852 2.337 ( 1.056 -2.312 2.737) 3.735 2.340 ( 2.455 -2.195 -1.428) 3.589 2.511 ( -1.783 -0.027 -3.937) 4.322 2.562 ( 2.175 -1.788 -0.410) 2.846 2.660 ( -0.747 -1.731 0.198) 1.896 2.700 ( -3.278 3.555 1.320) 5.012 2.784 ( 0.085 -0.535 0.421) 0.686 2.845 ( 0.691 0.695 -0.890) 1.324 3.027 ( 6.093 0.767 -4.887) 7.848 3.205 ( -2.900 7.361 3.320) 8.580 3.262 ( -0.334 0.461 5.015) 5.047 3.331 ( 1.539 2.094 -1.897) 3.218 3.395 ( -0.921 -1.690 5.320) 5.657 3.503 ( 0.818 0.716 1.164) 1.593 3.591 ( -3.293 0.292 1.528) 3.642 3.651 ( -0.932 1.024 3.443) 3.711 3.742 ( 1.690 -0.290 -4.345) 4.671 3.783 ( -0.837 -0.667 -3.000) 3.185 3.839 ( -0.904 1.065 -2.351) 2.735 3.903 ( 1.023 0.065 -3.131) 3.294 3.947 ( 0.085 0.963 -2.081) 2.295 4.047 ( -3.256 -0.565 0.712) 3.380 4.080 ( -0.461 1.480 1.183) 1.950 4.145 ( -2.468 -0.336 2.891) 3.816 4.262 ( 0.907 -1.133 0.609) 1.574 4.311 ( -0.356 -0.883 1.603) 1.864 4.425 ( 0.660 0.151 -1.757) 1.883 4.502 ( -2.481 -0.768 1.506) 3.003 4.590 ( -2.014 -1.078 0.607) 2.364 4.606 ( 2.402 -1.506 0.522) 2.882 4.644 ( 1.726 -1.024 0.841) 2.176 5.225 ( 1.213 0.698 1.906) 2.365 5.322 ( -0.529 -0.749 -1.678) 1.912 6.318 ( 0.309 0.551 -0.014) 0.632 6.346 ( 0.165 0.326 -0.942) 1.010 8.579 ( 1.194 1.000 1.597) 2.231 8.680 ( -0.688 -0.579 -2.350) 2.516 13.193 ( -0.938 -0.344 3.333) 3.480 13.217 ( 0.367 -0.258 3.102) 3.134 13.358 ( -1.227 2.125 1.080) 2.681 13.410 ( -1.519 -0.069 -2.837) 3.219 13.425 ( 1.836 0.527 1.109) 2.209 13.607 ( 1.058 0.493 2.921) 3.145 13.660 ( 1.154 2.066 -3.871) 4.536 13.795 ( -0.201 0.029 -2.624) 2.631 14.024 ( -0.689 0.125 -0.515) 0.869 14.072 ( 0.500 -1.259 -1.051) 1.714 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -12.800 4.758 0.345) 13.660 1.028 ( -15.139 8.325 -0.764) 17.294 1.317 ( 4.279 1.550 -1.454) 4.777 1.393 ( -4.874 -0.388 1.859) 5.231 1.452 ( 4.779 1.159 3.660) 6.130 1.542 ( 0.976 -5.798 -1.714) 6.125 1.666 ( 1.128 0.781 -4.615) 4.815 1.807 ( 6.386 2.137 -1.300) 6.858 1.821 ( 4.076 0.728 2.185) 4.682 2.033 ( -4.023 -1.843 2.776) 5.224 2.074 ( 3.630 -3.614 -2.055) 5.519 2.176 ( -1.242 -1.106 1.248) 2.079 2.242 ( 0.075 0.483 -0.875) 1.002 2.345 ( 2.489 -3.120 -4.706) 6.170 2.434 ( -1.390 -4.504 4.672) 6.637 2.467 ( 4.479 1.069 -2.966) 5.478 2.597 ( 2.831 -2.642 -1.044) 4.010 2.645 ( -0.999 -0.029 0.629) 1.181 2.675 ( -2.746 -2.712 2.483) 4.589 2.800 ( 2.215 3.304 -0.259) 3.986 2.856 ( 1.439 -2.018 -0.065) 2.479 3.072 ( 5.641 2.257 -4.312) 7.450 3.167 ( -4.899 4.342 2.671) 7.070 3.306 ( -0.146 0.765 1.038) 1.298 3.345 ( 1.729 3.123 -0.909) 3.683 3.439 ( -1.520 0.142 4.875) 5.109 3.492 ( -1.406 1.171 -0.608) 1.928 3.567 ( -3.554 2.492 3.780) 5.756 3.636 ( -3.604 0.311 1.406) 3.881 3.702 ( -1.740 -0.475 -3.479) 3.919 3.725 ( -3.290 -1.064 -0.609) 3.511 3.784 ( -2.177 0.409 -2.973) 3.708 3.880 ( -0.022 0.822 -2.688) 2.811 3.906 ( -1.218 -0.731 -2.743) 3.089 4.004 ( -2.793 -1.057 -0.058) 2.987 4.075 ( -2.155 2.897 2.281) 4.271 4.147 ( -0.768 0.073 1.089) 1.335 4.242 ( -3.078 -2.029 0.444) 3.714 4.339 ( -0.292 -0.864 2.995) 3.131 4.419 ( 1.462 -0.664 -1.910) 2.495 4.485 ( -0.720 -0.088 0.687) 0.999 4.555 ( -2.849 -0.695 0.610) 2.995 4.663 ( 3.134 -1.835 0.645) 3.689 4.694 ( 2.729 -1.061 1.292) 3.200 5.261 ( 0.097 -0.146 0.364) 0.404 5.302 ( 1.200 0.183 -0.483) 1.306 6.328 ( 0.788 0.490 0.092) 0.933 6.343 ( 0.672 0.556 -0.696) 1.116 8.619 ( 0.789 0.569 1.143) 1.501 8.641 ( 0.026 0.359 -2.220) 2.249 13.214 ( -1.728 -1.728 3.927) 4.625 13.243 ( -1.663 -1.824 2.865) 3.782 13.329 ( -2.163 1.357 -1.677) 3.055 13.349 ( -1.662 1.338 -2.058) 2.965 13.478 ( 1.976 2.163 3.071) 4.244 13.639 ( 2.371 1.900 -4.787) 5.670 13.687 ( 3.288 0.218 4.345) 5.453 13.769 ( 1.254 0.110 -3.706) 3.914 14.005 ( -1.339 0.202 0.152) 1.362 14.069 ( 0.737 -1.075 -1.194) 1.767 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -11.905 8.303 5.330) 15.463 0.744 ( -14.177 10.522 -8.685) 19.675 1.118 ( -19.075 12.509 5.020) 23.357 1.428 ( 6.247 -2.590 -4.278) 8.002 1.552 ( 2.789 -3.790 -3.009) 5.585 1.624 ( 5.229 1.093 0.785) 5.399 1.652 ( 0.525 -5.897 2.655) 6.488 1.872 ( 0.363 3.276 2.975) 4.440 1.933 ( 3.521 3.140 5.577) 7.305 1.976 ( -0.012 -2.670 -2.349) 3.556 2.150 ( 5.322 -1.252 -0.037) 5.468 2.188 ( -0.433 0.889 1.773) 2.030 2.276 ( 3.066 -5.288 0.063) 6.113 2.329 ( 2.478 -3.864 -4.379) 6.344 2.428 ( 0.875 -4.833 0.494) 4.936 2.513 ( 2.057 0.082 -2.576) 3.298 2.621 ( -0.974 -1.510 1.179) 2.149 2.663 ( -0.073 0.053 0.123) 0.153 2.671 ( 3.075 -4.748 1.896) 5.966 2.848 ( 3.716 5.032 -0.145) 6.257 2.891 ( 2.568 -0.937 0.530) 2.784 3.108 ( -1.380 3.545 -3.931) 5.471 3.119 ( 1.910 0.325 1.956) 2.753 3.262 ( -3.517 -0.217 -2.407) 4.267 3.349 ( -0.244 2.389 -1.591) 2.881 3.443 ( -0.885 -1.624 2.204) 2.877 3.479 ( -2.992 3.210 -1.317) 4.582 3.541 ( -3.548 1.617 4.884) 6.250 3.580 ( -2.522 -1.770 -3.470) 4.641 3.651 ( -4.176 3.356 5.027) 7.347 3.667 ( -3.535 0.306 0.119) 3.550 3.703 ( -3.567 0.496 -3.425) 4.970 3.842 ( -2.165 3.005 -0.623) 3.756 3.856 ( 0.223 -1.372 -4.663) 4.866 3.958 ( -2.341 -2.550 -0.514) 3.500 4.065 ( -1.746 1.235 1.155) 2.431 4.116 ( -3.335 1.327 -0.032) 3.590 4.217 ( -1.690 -2.087 1.995) 3.345 4.355 ( -1.354 -2.955 2.485) 4.091 4.429 ( 1.499 -0.430 -1.393) 2.091 4.492 ( 0.684 0.431 -0.542) 0.973 4.520 ( -2.927 -0.815 2.838) 4.158 4.709 ( 2.204 -1.720 -0.254) 2.807 4.750 ( 2.609 -1.304 0.933) 3.062 5.236 ( -0.894 -0.250 -1.683) 1.922 5.352 ( 3.370 1.382 0.812) 3.731 6.342 ( 0.864 0.326 0.073) 0.926 6.352 ( 0.784 0.592 -0.062) 0.984 8.588 ( -0.894 0.743 -2.295) 2.573 8.677 ( 2.413 1.188 1.144) 2.923 13.193 ( -3.004 -1.900 -0.669) 3.617 13.236 ( -3.797 -4.837 3.890) 7.277 13.284 ( -1.445 1.537 -0.790) 2.253 13.311 ( -1.823 0.953 -0.141) 2.062 13.554 ( 2.901 3.320 3.538) 5.653 13.634 ( 3.694 2.113 -5.106) 6.647 13.753 ( 1.459 0.443 -2.999) 3.364 13.783 ( 2.374 0.328 3.853) 4.538 13.986 ( -1.563 0.375 0.774) 1.784 14.073 ( 1.451 -1.182 -1.143) 2.193 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -10.259 13.986 -3.971) 17.794 0.526 ( -5.990 13.845 10.069) 18.137 0.947 ( -16.873 18.569 17.544) 30.615 1.434 ( 4.527 -1.722 -8.511) 9.793 1.526 ( 1.618 0.119 -8.489) 8.643 1.660 ( 2.657 -9.322 0.600) 9.712 1.746 ( 2.262 -1.336 3.027) 4.008 1.859 ( -7.033 -0.083 6.607) 9.650 1.979 ( 3.604 1.559 -1.119) 4.083 2.055 ( 2.189 0.706 -0.053) 2.300 2.149 ( -1.522 -0.012 -1.165) 1.916 2.237 ( 4.530 -3.806 0.903) 5.985 2.305 ( -2.492 -3.822 -1.508) 4.805 2.326 ( -1.241 -5.019 5.019) 7.205 2.468 ( 6.646 1.749 -5.082) 8.547 2.566 ( 7.778 -2.636 1.286) 8.313 2.608 ( -0.217 2.909 -0.634) 2.985 2.657 ( -0.186 -4.453 -0.343) 4.470 2.749 ( 2.239 -1.882 1.872) 3.473 2.906 ( 3.429 4.037 -0.066) 5.298 2.962 ( 4.880 3.341 2.131) 6.286 3.013 ( -2.801 0.691 -5.394) 6.117 3.156 ( -6.596 -2.214 -2.819) 7.507 3.209 ( 4.028 -1.293 3.306) 5.369 3.284 ( -4.391 0.049 -2.282) 4.949 3.394 ( -2.263 0.711 -3.302) 4.065 3.443 ( -2.549 -1.574 -0.525) 3.042 3.505 ( -1.534 2.993 -0.159) 3.367 3.555 ( -1.738 3.858 2.908) 5.134 3.607 ( -3.066 0.866 -2.786) 4.233 3.625 ( -3.394 -0.220 1.625) 3.769 3.657 ( -0.317 0.063 1.398) 1.435 3.805 ( -0.914 2.305 0.084) 2.481 3.841 ( 1.276 2.416 -0.038) 2.732 3.924 ( -1.000 -3.991 -0.373) 4.131 4.036 ( -1.044 -0.126 -1.497) 1.829 4.077 ( -2.044 1.375 0.779) 2.584 4.203 ( -3.962 -3.837 2.191) 5.934 4.325 ( -3.605 -0.987 -1.557) 4.049 4.429 ( 0.213 -0.750 -1.060) 1.316 4.485 ( -0.661 0.327 2.148) 2.271 4.548 ( -0.013 -1.505 4.108) 4.375 4.726 ( 1.280 -1.492 -1.615) 2.544 4.790 ( 1.313 -1.435 0.244) 1.961 5.215 ( 0.000 0.836 -0.295) 0.887 5.405 ( 3.573 1.226 -2.594) 4.583 6.357 ( 0.661 0.419 0.216) 0.812 6.362 ( 0.314 0.305 0.312) 0.537 8.568 ( 0.268 1.086 0.344) 1.170 8.726 ( 3.132 1.222 -0.932) 3.489 13.143 ( -1.409 -1.408 -1.036) 2.245 13.178 ( -7.659 -5.850 1.554) 9.762 13.260 ( -0.692 1.273 -0.389) 1.500 13.280 ( -1.607 0.893 -0.222) 1.852 13.626 ( 1.620 3.528 -1.956) 4.347 13.642 ( 4.023 2.088 -1.987) 4.949 13.772 ( 2.457 0.191 2.341) 3.399 13.835 ( 0.151 0.615 2.001) 2.098 13.974 ( -1.450 0.671 1.647) 2.294 14.089 ( 1.691 -1.466 -0.878) 2.405 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.158 13.975 5.185) 14.907 0.928 ( 2.551 16.096 1.957) 16.414 1.238 ( -4.199 0.372 7.611) 8.700 1.391 ( -0.104 -0.841 -5.533) 5.598 1.462 ( 6.118 0.651 -9.201) 11.068 1.546 ( 0.508 -2.208 2.322) 3.244 1.771 ( 0.952 -2.685 -3.417) 4.449 1.822 ( -3.816 0.894 4.051) 5.636 1.908 ( -0.379 -3.685 -2.883) 4.694 2.035 ( 0.607 -1.519 1.874) 2.488 2.066 ( -3.175 -3.343 1.276) 4.784 2.220 ( -1.716 -1.336 3.303) 3.955 2.237 ( -2.018 3.474 0.189) 4.022 2.340 ( 1.573 -0.634 6.838) 7.045 2.487 ( -3.839 -7.250 1.468) 8.334 2.558 ( 2.317 -5.143 0.425) 5.656 2.627 ( 3.906 1.788 -1.510) 4.553 2.760 ( -2.213 3.997 0.204) 4.574 2.784 ( 2.567 1.917 -1.189) 3.418 2.929 ( -0.830 -2.078 -5.415) 5.859 2.943 ( 0.269 3.901 -4.615) 6.049 3.020 ( 0.246 4.407 -2.661) 5.154 3.133 ( -1.626 -0.410 -1.600) 2.317 3.186 ( 1.872 0.476 2.548) 3.198 3.290 ( 3.320 -1.546 1.402) 3.922 3.302 ( -1.315 -1.410 1.205) 2.273 3.407 ( 1.328 -2.438 -2.565) 3.780 3.476 ( -2.446 -5.271 -0.320) 5.819 3.544 ( 2.411 0.838 -1.050) 2.760 3.592 ( -0.487 0.139 -1.277) 1.374 3.658 ( 0.673 2.491 2.177) 3.375 3.669 ( -1.458 2.942 1.019) 3.438 3.791 ( 0.334 -0.367 -0.929) 1.053 3.890 ( -0.012 -1.826 -0.197) 1.837 3.961 ( 2.230 3.055 2.031) 4.292 4.032 ( 0.206 -0.102 3.136) 3.145 4.054 ( 0.981 0.654 -1.168) 1.660 4.111 ( -4.514 -0.500 1.544) 4.797 4.336 ( -0.334 4.354 -1.229) 4.537 4.413 ( -0.113 1.034 -1.715) 2.006 4.488 ( -0.416 -1.869 1.737) 2.585 4.542 ( -0.371 -3.024 2.064) 3.680 4.699 ( 0.528 -0.403 -1.159) 1.336 4.748 ( -0.569 -2.205 -0.767) 2.402 5.256 ( 0.478 1.669 0.522) 1.813 5.366 ( -0.192 -2.431 -2.838) 3.742 6.374 ( -0.167 0.398 0.349) 0.555 6.378 ( 0.254 0.320 0.390) 0.564 8.619 ( 0.742 1.642 1.057) 2.089 8.710 ( -0.173 -1.921 -1.478) 2.430 13.073 ( -1.695 0.032 0.946) 1.941 13.102 ( 0.191 -1.254 0.313) 1.306 13.282 ( 0.551 0.987 -0.368) 1.189 13.290 ( 0.735 0.598 -0.359) 1.013 13.674 ( -1.852 3.219 -1.338) 3.947 13.722 ( 1.719 2.185 -1.872) 3.352 13.804 ( -0.476 -0.702 1.352) 1.596 13.848 ( 0.209 -1.168 1.084) 1.607 14.004 ( -0.383 1.700 1.359) 2.210 14.065 ( 0.501 -1.425 -0.007) 1.511 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 3.170 9.971 9.286) 13.989 1.005 ( 4.338 14.626 2.403) 15.444 1.263 ( 0.945 -6.580 0.460) 6.663 1.342 ( -0.205 3.075 -4.611) 5.546 1.446 ( 4.013 1.693 -8.478) 9.532 1.555 ( 1.038 -5.444 -3.886) 6.769 1.697 ( -7.251 -1.895 1.948) 7.744 1.841 ( 0.640 2.021 2.480) 3.263 1.897 ( 2.034 -5.202 -0.784) 5.640 1.996 ( -4.505 -5.295 1.850) 7.194 2.105 ( -1.103 5.047 4.096) 6.593 2.185 ( -3.285 -1.524 3.134) 4.790 2.243 ( 0.778 1.018 0.584) 1.408 2.422 ( 0.956 -0.513 3.994) 4.139 2.429 ( -5.125 -5.381 2.266) 7.769 2.553 ( -1.592 -6.119 -0.328) 6.331 2.630 ( -0.933 1.257 -1.483) 2.156 2.666 ( -6.390 0.502 0.232) 6.413 2.786 ( -3.105 5.871 0.752) 6.684 2.884 ( -3.133 1.864 -2.419) 4.375 2.937 ( 5.529 1.932 -5.173) 7.815 3.008 ( 2.880 6.824 -1.651) 7.589 3.086 ( 0.474 -4.862 -3.323) 5.908 3.245 ( 4.509 -2.540 -0.024) 5.175 3.314 ( 1.766 1.404 -2.177) 3.135 3.368 ( -0.684 -1.295 1.271) 1.939 3.393 ( 2.062 -1.513 -0.417) 2.591 3.477 ( 3.338 -4.821 -0.826) 5.922 3.589 ( 3.580 2.090 -0.469) 4.172 3.619 ( 4.435 -0.355 0.456) 4.473 3.662 ( 0.421 2.957 0.462) 3.023 3.713 ( 2.552 2.123 2.614) 4.225 3.796 ( 0.853 -0.689 0.024) 1.096 3.882 ( 0.587 -2.805 -1.889) 3.432 4.026 ( 1.931 2.907 0.636) 3.547 4.045 ( -2.492 3.095 1.425) 4.221 4.068 ( 1.645 -1.353 0.056) 2.131 4.110 ( 4.078 -0.678 1.705) 4.472 4.322 ( -0.993 4.328 0.451) 4.463 4.392 ( 0.249 0.617 -2.038) 2.144 4.494 ( -0.963 -1.889 1.484) 2.588 4.552 ( -0.876 -4.035 1.443) 4.374 4.690 ( -0.769 -0.447 -0.308) 0.941 4.714 ( -2.023 -1.594 -1.348) 2.907 5.270 ( 0.121 0.541 0.734) 0.920 5.324 ( -1.005 -1.196 -2.303) 2.782 6.371 ( -0.657 0.533 0.343) 0.912 6.382 ( -0.260 0.235 0.326) 0.478 8.641 ( 0.261 0.772 0.912) 1.223 8.681 ( -0.965 -0.734 -1.279) 1.762 13.076 ( 0.877 0.602 0.376) 1.128 13.124 ( 1.706 -1.622 0.470) 2.401 13.295 ( 1.796 1.191 -0.581) 2.232 13.314 ( 2.392 0.277 -0.222) 2.418 13.614 ( -3.917 3.374 -0.662) 5.213 13.712 ( -0.897 0.431 -1.443) 1.753 13.788 ( -1.786 0.879 0.512) 2.056 13.866 ( 0.043 -1.873 1.319) 2.291 14.011 ( -0.459 1.801 1.128) 2.174 14.068 ( -0.071 -1.097 -0.046) 1.100 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 3.448 7.791 9.087) 12.456 1.121 ( 6.909 11.051 2.075) 13.197 1.199 ( -3.674 5.738 -12.245) 14.013 1.312 ( 4.084 -5.549 -0.077) 6.890 1.410 ( -2.045 -2.931 -3.746) 5.177 1.504 ( -1.969 -5.173 -2.673) 6.147 1.635 ( -1.298 0.015 1.103) 1.704 1.887 ( -2.936 -6.879 -0.123) 7.481 1.909 ( 2.200 -1.672 4.171) 5.003 1.975 ( -0.159 -4.906 0.039) 4.909 2.074 ( -5.422 3.062 3.972) 7.385 2.184 ( -1.760 0.276 2.283) 2.896 2.282 ( -0.302 2.224 0.860) 2.403 2.374 ( -3.699 -1.164 0.346) 3.893 2.460 ( 0.200 -2.503 1.581) 2.967 2.510 ( -2.467 -4.187 -2.264) 5.361 2.589 ( -4.283 -0.343 3.795) 5.732 2.600 ( -2.407 -1.126 2.628) 3.738 2.751 ( 1.278 6.308 -3.789) 7.469 2.851 ( -0.190 4.594 1.986) 5.009 2.943 ( -0.055 2.186 0.408) 2.225 3.041 ( 3.229 5.265 -3.399) 7.050 3.092 ( 5.292 -4.064 -4.436) 8.012 3.238 ( -1.228 -1.711 -4.647) 5.102 3.329 ( -2.976 -1.548 1.270) 3.587 3.356 ( 4.548 -1.925 -0.146) 4.940 3.482 ( 4.082 0.610 0.937) 4.232 3.513 ( 1.939 0.093 1.490) 2.447 3.592 ( 0.657 2.301 -2.894) 3.755 3.691 ( 2.482 1.311 -2.027) 3.462 3.727 ( 6.394 -2.211 0.947) 6.831 3.799 ( 3.900 2.146 -1.166) 4.602 3.829 ( 2.539 -0.635 5.167) 5.792 3.872 ( 1.992 -2.197 -2.478) 3.865 3.991 ( -1.225 2.827 -1.819) 3.578 4.064 ( 0.862 -0.376 1.734) 1.972 4.145 ( 5.066 0.869 0.193) 5.143 4.184 ( 2.422 0.707 1.588) 2.981 4.305 ( -2.282 3.140 1.205) 4.065 4.383 ( 0.789 -0.431 -1.188) 1.490 4.496 ( -0.752 -1.691 1.534) 2.404 4.546 ( -0.853 -4.145 0.130) 4.234 4.659 ( -2.718 -0.741 -0.901) 2.958 4.670 ( -2.030 -0.638 0.223) 2.140 5.259 ( -1.126 0.871 -0.934) 1.703 5.308 ( 0.262 -1.207 0.325) 1.277 6.360 ( -1.005 0.634 0.130) 1.195 6.377 ( -0.591 0.045 0.139) 0.609 8.626 ( -1.395 1.239 -0.991) 2.113 8.675 ( 0.245 -1.030 0.519) 1.179 13.102 ( 1.847 0.860 0.233) 2.051 13.155 ( 1.389 -1.471 0.359) 2.055 13.326 ( 2.793 1.064 -0.758) 3.084 13.353 ( 2.795 -0.009 -0.592) 2.857 13.544 ( -4.299 3.224 0.192) 5.377 13.665 ( -3.363 -1.016 -0.146) 3.516 13.772 ( -0.744 2.452 0.086) 2.564 13.873 ( -0.930 -1.811 1.065) 2.298 14.016 ( 0.022 1.403 0.469) 1.479 14.063 ( -0.249 -0.910 -0.331) 1.000 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -2.276 5.859 -7.987) 10.163 1.122 ( 2.747 5.221 4.817) 7.616 1.256 ( 7.233 5.771 -0.077) 9.253 1.298 ( -4.322 -3.012 -2.013) 5.639 1.385 ( -0.326 -1.252 4.123) 4.322 1.475 ( 2.408 -6.194 -1.754) 6.873 1.650 ( 1.359 -1.646 -0.473) 2.187 1.832 ( -5.409 1.068 1.926) 5.840 1.926 ( -1.497 -6.178 -0.801) 6.408 1.989 ( 1.023 -2.545 -0.589) 2.805 2.065 ( -1.558 -0.742 3.657) 4.044 2.155 ( -5.924 -1.274 2.921) 6.726 2.247 ( 0.148 3.270 -0.373) 3.295 2.311 ( -2.193 0.773 -3.296) 4.033 2.452 ( -1.167 -2.641 -2.294) 3.688 2.465 ( -1.156 -2.290 0.132) 2.569 2.590 ( -2.603 -2.307 3.153) 4.694 2.616 ( -0.663 -3.751 3.770) 5.360 2.754 ( 4.002 6.108 -3.708) 8.190 2.891 ( 0.459 6.715 3.231) 7.466 2.970 ( 1.774 4.316 1.068) 4.787 3.020 ( 0.646 1.382 -5.192) 5.412 3.140 ( 2.629 -1.553 -1.097) 3.245 3.186 ( 1.195 -1.625 -0.345) 2.046 3.314 ( -1.382 -0.186 2.028) 2.461 3.410 ( 3.295 -2.451 -1.120) 4.256 3.504 ( -0.054 4.206 -1.973) 4.646 3.536 ( -0.222 1.549 0.775) 1.746 3.614 ( 2.095 -1.135 0.120) 2.386 3.700 ( 2.609 -1.614 -1.813) 3.564 3.810 ( 3.641 0.011 -1.969) 4.140 3.815 ( 2.191 -4.069 -0.375) 4.637 3.899 ( 2.839 2.422 0.668) 3.791 3.939 ( 0.697 1.958 0.093) 2.080 3.992 ( 5.800 0.877 0.816) 5.922 4.103 ( 1.181 -1.677 1.745) 2.693 4.181 ( -1.247 2.778 0.295) 3.059 4.233 ( 3.038 1.310 0.048) 3.309 4.282 ( -2.656 1.423 1.502) 3.366 4.387 ( 1.002 -1.811 -0.649) 2.169 4.504 ( -0.866 -1.608 1.898) 2.634 4.534 ( 0.137 -3.216 -0.974) 3.363 4.611 ( -1.858 -0.204 -0.603) 1.964 4.638 ( -2.746 -0.824 0.961) 3.024 5.235 ( -0.651 1.749 -0.530) 1.940 5.317 ( 0.192 -1.618 0.288) 1.654 6.344 ( -0.922 0.687 -0.035) 1.150 6.367 ( -0.587 -0.154 -0.156) 0.626 8.598 ( -0.869 1.862 -0.582) 2.136 8.681 ( 0.021 -1.695 0.071) 1.697 13.137 ( 1.744 0.857 0.848) 2.120 13.175 ( 0.447 -0.632 0.720) 1.057 13.359 ( 2.058 0.882 -0.350) 2.266 13.384 ( 2.150 -0.405 -0.961) 2.389 13.489 ( -3.014 3.083 0.543) 4.346 13.617 ( -3.021 -1.238 1.019) 3.420 13.760 ( -0.275 2.895 -0.876) 3.037 13.859 ( -1.646 -1.178 0.119) 2.027 14.025 ( 0.764 0.469 -0.039) 0.898 14.054 ( -0.211 -0.928 -0.657) 1.157 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 3.592 3.849 1.103) 5.379 1.163 ( 0.327 3.211 -0.317) 3.244 1.219 ( -2.774 -0.929 -0.837) 3.042 1.361 ( 1.307 -0.185 1.545) 2.032 1.409 ( 1.310 -0.590 3.664) 3.936 1.525 ( 2.318 -6.079 -0.063) 6.506 1.662 ( 3.220 -0.427 -3.006) 4.425 1.754 ( -6.310 5.120 2.960) 8.648 1.850 ( -2.938 -2.245 -7.498) 8.360 1.988 ( 0.231 0.267 1.103) 1.158 2.088 ( -0.003 -2.892 4.296) 5.179 2.128 ( -3.504 -2.838 2.965) 5.397 2.245 ( -1.651 0.369 -0.269) 1.713 2.287 ( 3.247 1.296 -0.688) 3.563 2.404 ( -0.203 -2.308 -4.314) 4.897 2.443 ( -1.037 -2.190 -1.041) 2.637 2.567 ( -2.926 -2.020 1.335) 3.798 2.635 ( -1.696 -3.920 2.414) 4.906 2.771 ( 3.301 4.933 -3.883) 7.092 2.900 ( -2.740 6.793 0.666) 7.355 2.957 ( -1.610 1.466 -4.739) 5.215 3.002 ( 4.498 1.894 -3.235) 5.855 3.177 ( 1.747 -1.252 4.195) 4.714 3.278 ( 2.560 0.827 7.356) 7.833 3.318 ( -0.606 1.341 1.399) 2.031 3.415 ( -0.184 2.246 -2.491) 3.359 3.508 ( 1.774 0.418 -0.401) 1.866 3.534 ( 0.707 -2.369 -0.639) 2.553 3.628 ( 0.091 0.777 1.162) 1.401 3.738 ( 2.028 -1.553 0.230) 2.565 3.822 ( 1.541 -2.542 -1.859) 3.506 3.853 ( 1.782 -2.769 -1.009) 3.444 3.897 ( -1.184 3.463 -2.474) 4.418 3.955 ( 2.285 0.721 -1.761) 2.974 4.091 ( 1.245 1.010 2.430) 2.911 4.127 ( 0.055 -1.452 0.996) 1.761 4.158 ( -1.349 4.319 1.716) 4.839 4.250 ( -2.554 0.267 1.049) 2.774 4.271 ( 1.844 1.042 0.013) 2.118 4.402 ( 1.307 -2.043 -0.272) 2.440 4.502 ( -1.589 -1.247 1.186) 2.342 4.529 ( 0.485 -2.425 -0.713) 2.574 4.593 ( -0.316 -0.461 0.266) 0.619 4.610 ( -1.628 -0.885 0.712) 1.985 5.229 ( 0.136 1.820 0.187) 1.834 5.316 ( -0.244 -1.652 -0.549) 1.757 6.333 ( -0.353 0.733 -0.050) 0.815 6.357 ( -0.236 -0.151 -0.440) 0.522 8.590 ( 0.109 1.939 0.279) 1.962 8.677 ( -0.173 -1.746 -0.615) 1.859 13.173 ( 0.663 0.495 1.813) 1.993 13.189 ( -0.067 0.000 1.636) 1.637 13.390 ( 1.308 0.742 1.104) 1.865 13.400 ( 0.938 -0.144 -0.420) 1.038 13.458 ( -1.156 2.838 -0.350) 3.084 13.591 ( -1.744 -1.299 1.206) 2.487 13.742 ( 0.098 2.875 -2.294) 3.679 13.827 ( -1.276 -0.659 -1.466) 2.052 14.035 ( 0.545 0.010 -0.481) 0.727 14.044 ( 0.057 -1.048 -0.595) 1.207 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -4.578 5.496 -0.752) 7.192 1.164 ( 2.590 1.906 2.279) 3.942 1.245 ( 6.716 -1.736 3.139) 7.614 1.360 ( -3.497 1.207 2.367) 4.392 1.464 ( -0.589 -1.182 2.754) 3.054 1.491 ( -3.511 -6.355 -3.581) 8.096 1.697 ( 4.207 0.845 -0.943) 4.393 1.736 ( -0.463 5.226 1.718) 5.521 1.768 ( 4.636 0.328 -6.145) 7.704 1.986 ( -0.619 -0.726 -0.620) 1.138 2.085 ( -4.653 -1.768 2.549) 5.592 2.130 ( -2.351 -4.204 2.826) 5.585 2.254 ( 2.555 -1.257 2.019) 3.490 2.336 ( 3.785 1.656 -2.093) 4.632 2.346 ( -2.013 -0.161 -3.011) 3.625 2.423 ( 1.916 -4.574 -3.075) 5.835 2.533 ( -3.210 -0.673 1.284) 3.522 2.607 ( -3.387 -2.969 0.613) 4.546 2.791 ( 2.932 3.924 -1.611) 5.157 2.842 ( -2.709 4.486 -1.864) 5.562 2.886 ( -1.069 1.936 -2.537) 3.366 3.051 ( 5.314 0.056 -2.865) 6.038 3.250 ( -1.145 0.995 6.045) 6.233 3.318 ( -0.812 0.934 1.088) 1.648 3.376 ( 0.044 0.888 0.464) 1.003 3.409 ( 1.816 3.849 4.947) 6.526 3.488 ( -0.197 -0.547 -2.317) 2.389 3.582 ( 0.545 -4.363 3.824) 5.827 3.647 ( -0.181 1.512 1.478) 2.123 3.750 ( -0.260 -1.364 -1.164) 1.812 3.791 ( -2.693 2.184 -4.966) 6.057 3.821 ( -0.971 -3.140 -1.736) 3.717 3.876 ( 0.450 0.352 -1.443) 1.552 3.946 ( -0.029 -0.768 -2.383) 2.504 4.070 ( -3.706 2.367 1.116) 4.537 4.135 ( -2.471 -0.744 2.878) 3.866 4.176 ( 0.323 4.127 1.122) 4.289 4.235 ( -0.388 -1.193 -0.271) 1.283 4.301 ( 0.397 1.188 1.974) 2.338 4.407 ( -0.114 -1.648 -0.815) 1.842 4.483 ( -1.373 -0.720 0.456) 1.616 4.544 ( 1.323 -2.722 0.120) 3.029 4.590 ( -0.159 -0.178 0.443) 0.503 4.618 ( 1.456 -1.213 0.820) 2.065 5.244 ( 0.931 1.004 0.903) 1.640 5.299 ( -0.438 -1.313 -1.297) 1.897 6.333 ( 0.330 0.747 -0.007) 0.816 6.351 ( 0.294 0.078 -0.589) 0.662 8.606 ( 0.951 1.421 0.974) 1.968 8.663 ( -0.303 -1.039 -1.289) 1.684 13.190 ( -1.325 0.201 2.537) 2.869 13.210 ( -0.563 -0.429 2.381) 2.485 13.394 ( -0.890 0.753 -0.543) 1.286 13.408 ( -0.354 -0.039 -1.700) 1.737 13.463 ( 1.550 3.262 2.614) 4.458 13.600 ( 0.838 -1.469 2.586) 3.090 13.715 ( 0.775 2.659 -3.775) 4.682 13.791 ( 0.012 -0.555 -2.904) 2.957 14.027 ( -0.429 0.165 -0.517) 0.692 14.046 ( 0.520 -0.938 -0.584) 1.221 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -8.130 8.932 -1.143) 12.132 1.171 ( -4.555 2.657 -4.436) 6.891 1.324 ( -1.078 0.749 2.521) 2.842 1.414 ( 1.680 -2.142 0.455) 2.760 1.437 ( 2.810 -2.006 2.351) 4.177 1.477 ( 2.183 2.118 2.150) 3.725 1.704 ( -2.104 3.315 0.209) 3.932 1.808 ( 7.116 -1.251 -0.773) 7.267 1.828 ( 7.438 0.212 -2.733) 7.927 1.997 ( 2.096 -3.786 1.098) 4.464 2.033 ( -5.469 0.038 2.775) 6.133 2.094 ( -3.725 -3.152 2.510) 5.488 2.267 ( -2.421 1.566 -3.024) 4.178 2.326 ( 3.485 -1.422 -1.170) 3.941 2.353 ( -0.446 -0.912 -1.371) 1.706 2.447 ( 5.505 -4.490 -2.433) 7.509 2.502 ( -1.160 -1.820 0.760) 2.288 2.567 ( -3.073 -3.515 1.986) 5.074 2.781 ( -0.961 8.218 -1.513) 8.412 2.832 ( 2.317 1.001 0.549) 2.583 2.896 ( 3.027 2.629 1.100) 4.158 3.095 ( 4.134 -1.582 -3.491) 5.638 3.256 ( -4.228 3.914 3.544) 6.765 3.301 ( -1.466 -0.270 -1.467) 2.091 3.382 ( 0.548 0.847 0.390) 1.082 3.435 ( -0.892 -0.743 -1.184) 1.658 3.530 ( 0.704 1.209 6.839) 6.981 3.583 ( -5.599 -0.925 1.348) 5.833 3.634 ( -2.310 -3.651 0.959) 4.425 3.660 ( -2.750 0.189 -7.163) 7.675 3.729 ( -1.653 0.878 -0.412) 1.917 3.784 ( -1.706 -0.715 -1.319) 2.272 3.863 ( 0.413 0.253 -2.020) 2.077 3.918 ( -1.973 0.779 0.349) 2.150 4.021 ( -3.200 2.307 -0.178) 3.949 4.113 ( -3.726 -0.399 2.188) 4.339 4.184 ( -0.988 1.925 0.393) 2.199 4.207 ( -2.635 -1.090 0.220) 2.860 4.316 ( -1.153 0.486 1.825) 2.212 4.403 ( 1.428 -0.909 -0.677) 1.823 4.481 ( 0.330 -0.080 0.311) 0.460 4.539 ( -1.869 -1.090 0.374) 2.196 4.624 ( 3.119 -1.209 0.336) 3.362 4.661 ( 2.486 -1.778 0.957) 3.203 5.261 ( -0.179 0.221 -0.504) 0.579 5.295 ( 1.796 -0.840 0.388) 2.021 6.341 ( 0.683 0.672 -0.043) 0.959 6.354 ( 0.732 0.295 -0.473) 0.920 8.632 ( 0.215 0.570 -0.104) 0.618 8.646 ( 0.884 0.046 -0.494) 1.014 13.187 ( -2.854 -0.574 2.685) 3.960 13.209 ( -2.544 -1.259 1.584) 3.251 13.358 ( -1.762 1.140 -1.439) 2.545 13.370 ( -1.430 0.578 -1.773) 2.350 13.538 ( 2.758 3.335 3.959) 5.865 13.673 ( 3.009 -1.685 4.078) 5.341 13.691 ( 2.247 2.502 -4.527) 5.639 13.767 ( 1.294 -0.545 -3.328) 3.612 14.014 ( -0.667 0.659 -0.206) 0.959 14.046 ( 0.480 -0.903 -0.774) 1.282 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -6.573 10.887 1.678) 12.827 0.999 ( -5.722 10.932 -7.528) 14.454 1.316 ( -5.829 -1.749 5.122) 7.954 1.435 ( 0.723 3.310 0.459) 3.419 1.460 ( 3.690 1.060 -4.678) 6.052 1.544 ( -0.709 -1.578 1.069) 2.033 1.709 ( 2.955 4.497 0.750) 5.433 1.875 ( 4.420 -2.126 -2.922) 5.709 1.946 ( -5.834 0.512 3.912) 7.043 1.955 ( 7.418 -4.118 -0.011) 8.484 2.054 ( -0.350 -5.316 0.027) 5.328 2.127 ( 1.768 -4.725 7.914) 9.385 2.217 ( -1.159 1.120 -0.747) 1.776 2.304 ( -1.059 -0.539 -3.568) 3.761 2.351 ( 2.231 -1.676 -0.084) 2.792 2.517 ( 3.038 -4.881 -1.150) 5.863 2.521 ( 2.536 -1.007 -0.313) 2.747 2.568 ( 3.447 -2.609 0.935) 4.423 2.775 ( 0.232 7.874 1.067) 7.949 2.908 ( 4.825 2.877 2.594) 6.188 2.971 ( 4.032 4.154 0.939) 5.865 3.106 ( 1.649 -2.399 -2.090) 3.584 3.182 ( -4.500 2.765 -4.422) 6.888 3.247 ( -5.317 -0.460 0.097) 5.338 3.376 ( -2.616 -0.394 0.352) 2.669 3.409 ( -1.568 -1.775 0.277) 2.384 3.459 ( -3.282 -2.044 -5.091) 6.392 3.550 ( -1.435 -0.400 -3.520) 3.823 3.595 ( -4.632 -2.804 2.004) 5.773 3.628 ( -0.929 1.059 6.175) 6.334 3.696 ( -2.399 1.310 0.018) 2.734 3.731 ( -2.844 -0.371 -1.711) 3.340 3.844 ( 0.223 1.050 -2.638) 2.848 3.893 ( -3.005 2.208 2.515) 4.497 3.961 ( -2.320 1.846 -2.303) 3.754 4.068 ( -3.440 -0.751 0.595) 3.571 4.136 ( -4.840 -0.334 1.159) 4.988 4.180 ( -2.473 -1.385 1.309) 3.122 4.330 ( 0.694 1.941 1.600) 2.609 4.427 ( 1.570 -0.095 -0.415) 1.627 4.484 ( 0.041 -0.812 -0.902) 1.214 4.516 ( -1.631 -0.344 1.496) 2.240 4.672 ( 2.586 -1.210 -0.310) 2.872 4.711 ( 2.453 -2.105 0.673) 3.302 5.248 ( -0.004 1.327 -0.801) 1.550 5.342 ( 2.694 -1.880 0.581) 3.336 6.353 ( 0.777 0.555 0.010) 0.955 6.362 ( 0.707 0.308 -0.194) 0.795 8.613 ( -0.346 1.512 -1.241) 1.987 8.679 ( 1.949 -0.883 0.531) 2.204 13.155 ( -3.759 -1.277 1.352) 4.194 13.168 ( -3.880 -1.641 0.900) 4.307 13.318 ( -1.536 1.262 -1.085) 2.265 13.330 ( -1.722 0.585 -0.927) 2.042 13.629 ( 3.001 3.659 3.633) 5.966 13.687 ( 3.373 2.566 -4.141) 5.926 13.753 ( 1.762 -0.791 -0.679) 2.047 13.775 ( 2.680 -1.262 2.107) 3.635 14.002 ( -0.664 1.064 0.097) 1.258 14.046 ( 0.743 -1.069 -0.732) 1.493 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -5.165 13.381 1.869) 14.464 0.894 ( 0.369 16.616 -2.196) 16.765 1.260 ( -8.478 3.420 7.200) 11.637 1.439 ( 0.924 -0.799 -3.226) 3.450 1.463 ( 4.320 -0.201 -5.971) 7.372 1.526 ( -1.509 -0.312 1.523) 2.166 1.760 ( 2.725 1.944 -1.451) 3.648 1.863 ( -3.109 -2.504 0.161) 3.995 1.925 ( 1.203 -2.708 -0.592) 3.021 2.018 ( 0.348 -6.049 -1.444) 6.228 2.083 ( 1.017 -2.832 2.550) 3.944 2.203 ( -1.487 0.199 2.857) 3.227 2.237 ( 1.135 -3.219 6.913) 7.710 2.264 ( -1.140 1.689 -0.241) 2.052 2.442 ( 6.695 -5.076 2.775) 8.849 2.522 ( -1.075 -6.968 0.644) 7.080 2.564 ( 6.183 4.231 -3.607) 8.316 2.683 ( 8.088 0.977 -0.568) 8.167 2.788 ( -0.165 6.090 0.540) 6.116 3.000 ( 2.085 3.269 -1.426) 4.131 3.034 ( 2.503 4.339 -0.472) 5.031 3.049 ( -3.550 0.282 -3.976) 5.338 3.107 ( -5.367 -1.506 -2.122) 5.965 3.144 ( 3.228 -3.487 0.190) 4.756 3.301 ( -6.316 1.061 0.034) 6.405 3.379 ( -5.060 -1.249 1.579) 5.446 3.405 ( 1.724 -2.709 -2.936) 4.351 3.515 ( -1.573 -2.890 -0.162) 3.294 3.542 ( -1.308 -0.212 -0.869) 1.585 3.635 ( -2.001 -2.555 -1.368) 3.522 3.659 ( -2.188 1.741 0.148) 2.800 3.683 ( -2.709 3.519 2.454) 5.074 3.811 ( -0.657 0.885 -2.210) 2.470 3.883 ( -1.264 0.795 2.392) 2.820 3.928 ( 0.664 2.365 -0.599) 2.528 4.028 ( -2.578 -1.939 1.282) 3.471 4.076 ( -2.836 0.947 -0.048) 2.990 4.154 ( -3.584 -1.235 2.417) 4.496 4.350 ( 0.220 3.002 -0.237) 3.019 4.431 ( -0.097 0.860 -0.954) 1.288 4.476 ( 0.170 -1.363 0.187) 1.386 4.523 ( -0.340 -1.582 2.134) 2.678 4.697 ( 1.532 -0.748 -1.162) 2.063 4.747 ( 1.235 -2.288 0.071) 2.601 5.247 ( 0.407 2.150 -0.156) 2.193 5.377 ( 1.832 -2.845 -1.309) 3.628 6.366 ( 0.648 0.407 0.282) 0.816 6.370 ( 0.315 0.309 0.076) 0.448 8.604 ( 0.247 2.143 -0.068) 2.158 8.709 ( 1.515 -2.052 -0.442) 2.589 13.109 ( -3.742 -1.223 1.215) 4.120 13.117 ( -2.537 -1.147 0.151) 2.788 13.289 ( -0.675 1.091 -0.767) 1.495 13.299 ( -1.074 0.606 -0.478) 1.322 13.693 ( 1.115 2.969 -0.206) 3.178 13.702 ( 3.349 3.014 -2.236) 5.030 13.772 ( 1.528 -0.359 0.910) 1.815 13.831 ( 0.740 -1.294 1.860) 2.384 13.998 ( -0.429 1.411 0.771) 1.664 14.054 ( 0.952 -1.412 -0.341) 1.737 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.017 -11.821 2.308) 12.044 1.009 ( 0.017 11.821 2.308) 12.044 1.290 ( 0.538 -10.479 -0.289) 10.496 1.290 ( 0.538 10.479 -0.289) 10.496 1.500 ( 2.762 -3.204 -8.199) 9.226 1.500 ( 2.762 3.204 -8.199) 9.226 1.756 ( -0.288 -3.231 -1.455) 3.555 1.756 ( -0.288 3.231 -1.455) 3.555 1.938 ( -1.272 -4.145 1.934) 4.747 1.938 ( -1.272 4.145 1.934) 4.747 2.160 ( -3.308 -6.833 7.584) 10.730 2.160 ( -3.308 6.833 7.584) 10.730 2.337 ( -1.843 -5.695 1.805) 6.252 2.337 ( -1.843 5.695 1.805) 6.252 2.396 ( 0.601 -6.488 3.249) 7.281 2.396 ( 0.601 6.488 3.249) 7.281 2.729 ( 1.307 -4.294 -3.876) 5.930 2.729 ( 1.307 4.294 -3.876) 5.930 2.864 ( 1.829 -3.398 -3.744) 5.376 2.864 ( 1.829 3.398 -3.744) 5.376 3.044 ( 1.177 -3.489 -2.245) 4.313 3.044 ( 1.177 3.489 -2.245) 4.313 3.161 ( -0.680 -3.327 -1.246) 3.618 3.161 ( -0.680 3.327 -1.246) 3.618 3.284 ( 0.130 -1.036 3.548) 3.699 3.284 ( 0.130 1.036 3.548) 3.699 3.375 ( -1.149 -2.318 -1.763) 3.131 3.375 ( -1.149 2.318 -1.763) 3.131 3.569 ( 1.831 -1.436 -0.980) 2.525 3.569 ( 1.831 1.436 -0.980) 2.525 3.698 ( -0.070 -0.677 1.438) 1.591 3.698 ( -0.070 0.677 1.438) 1.591 3.830 ( -0.920 -3.155 -0.926) 3.415 3.830 ( -0.920 3.155 -0.926) 3.415 4.007 ( 2.481 -1.634 2.228) 3.713 4.007 ( 2.481 1.634 2.228) 3.713 4.094 ( -2.926 -1.458 1.407) 3.559 4.094 ( -2.926 1.458 1.407) 3.559 4.429 ( 0.449 -3.248 -0.637) 3.340 4.429 ( 0.449 3.248 -0.637) 3.340 4.463 ( -0.515 -3.234 -0.125) 3.277 4.463 ( -0.515 3.234 -0.125) 3.277 4.709 ( -0.128 -1.228 -0.591) 1.369 4.709 ( -0.128 1.228 -0.591) 1.369 5.306 ( 0.033 -2.785 -0.959) 2.945 5.306 ( 0.033 2.785 -0.959) 2.945 6.380 ( 0.075 -0.121 0.354) 0.381 6.380 ( 0.075 0.121 0.354) 0.381 8.662 ( 0.223 -2.250 -0.056) 2.262 8.662 ( 0.223 2.250 -0.056) 2.262 13.081 ( -0.591 -0.667 0.685) 1.124 13.081 ( -0.591 0.667 0.685) 1.124 13.295 ( 0.664 -0.183 -0.472) 0.834 13.295 ( 0.664 0.183 -0.472) 0.834 13.732 ( -0.821 -1.699 -1.564) 2.451 13.732 ( -0.821 1.699 -1.564) 2.451 13.812 ( 0.385 -1.693 1.058) 2.033 13.812 ( 0.385 1.693 1.058) 2.033 14.038 ( 0.205 -1.305 0.710) 1.500 14.038 ( 0.205 1.305 0.710) 1.500 ======================= Grid point 92 (49/92) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 2.272 -10.246 3.693) 11.125 1.057 ( 2.272 10.246 3.693) 11.125 1.312 ( 2.764 -10.207 -1.245) 10.647 1.312 ( 2.764 10.207 -1.245) 10.647 1.450 ( 1.639 -0.627 -9.157) 9.324 1.450 ( 1.639 0.627 -9.157) 9.324 1.729 ( -1.527 -6.112 -0.350) 6.310 1.729 ( -1.527 6.112 -0.350) 6.310 1.926 ( -2.904 -2.821 2.203) 4.609 1.926 ( -2.904 2.821 2.203) 4.609 2.168 ( -5.080 -1.003 6.274) 8.135 2.168 ( -5.080 1.003 6.274) 8.135 2.331 ( -0.750 -4.418 2.071) 4.936 2.331 ( -0.750 4.418 2.071) 4.936 2.430 ( 0.634 -3.399 1.429) 3.742 2.430 ( 0.634 3.399 1.429) 3.742 2.659 ( -5.183 -1.175 -0.193) 5.318 2.659 ( -5.183 1.175 -0.193) 5.318 2.896 ( 2.429 -3.047 -1.566) 4.199 2.896 ( 2.429 3.047 -1.566) 4.199 2.989 ( -1.165 -3.953 -4.505) 6.106 2.989 ( -1.165 3.953 -4.505) 6.106 3.154 ( 3.168 -5.839 -1.878) 6.904 3.154 ( 3.168 5.839 -1.878) 6.904 3.338 ( -1.036 -1.092 -1.088) 1.857 3.338 ( -1.036 1.092 -1.088) 1.857 3.382 ( 5.519 -1.965 1.427) 6.029 3.382 ( 5.519 1.965 1.427) 6.029 3.620 ( 5.451 -0.291 -0.374) 5.471 3.620 ( 5.451 0.291 -0.374) 5.471 3.715 ( -0.629 -1.840 2.189) 2.928 3.715 ( -0.629 1.840 2.189) 2.928 3.822 ( 1.251 -2.419 -1.221) 2.984 3.822 ( 1.251 2.419 -1.221) 2.984 4.054 ( -0.695 -0.313 -1.101) 1.339 4.054 ( -0.695 0.313 -1.101) 1.339 4.094 ( 2.438 -1.264 3.969) 4.827 4.094 ( 2.438 1.264 3.969) 4.827 4.416 ( -1.506 -1.361 -0.430) 2.075 4.416 ( -1.506 1.361 -0.430) 2.075 4.460 ( 0.777 -1.963 -0.590) 2.192 4.460 ( 0.777 1.963 -0.590) 2.192 4.690 ( -1.513 -0.542 -0.372) 1.649 4.690 ( -1.513 0.542 -0.372) 1.649 5.292 ( -0.419 -1.425 -0.687) 1.637 5.292 ( -0.419 1.425 -0.687) 1.637 6.381 ( -0.437 -0.289 0.301) 0.604 6.381 ( -0.437 0.289 0.301) 0.604 8.661 ( -0.279 -0.979 -0.102) 1.023 8.661 ( -0.279 0.979 -0.102) 1.023 13.094 ( 1.254 -1.100 0.529) 1.750 13.094 ( 1.254 1.100 0.529) 1.750 13.312 ( 2.107 -0.406 -0.525) 2.209 13.312 ( 2.107 0.406 -0.525) 2.209 13.683 ( -3.252 -2.706 -0.998) 4.346 13.683 ( -3.252 2.706 -0.998) 4.346 13.823 ( -0.142 -2.055 0.824) 2.219 13.823 ( -0.142 2.055 0.824) 2.219 14.045 ( -0.208 -1.221 0.555) 1.357 14.045 ( -0.208 1.221 0.555) 1.357 ======================= Grid point 94 (50/92) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 3.350 -7.703 4.952) 9.751 1.157 ( 3.350 7.703 4.952) 9.751 1.318 ( -3.074 -4.591 -6.179) 8.289 1.318 ( -3.074 4.591 -6.179) 8.289 1.350 ( 2.857 -8.600 -5.136) 10.416 1.350 ( 2.857 8.600 -5.136) 10.416 1.728 ( 1.131 -7.423 0.853) 7.557 1.728 ( 1.131 7.423 0.853) 7.557 1.900 ( -3.620 -1.241 3.030) 4.882 1.900 ( -3.620 1.241 3.030) 4.882 2.147 ( -3.990 -2.875 3.246) 5.892 2.147 ( -3.990 2.875 3.246) 5.892 2.346 ( -0.613 -2.623 1.150) 2.929 2.346 ( -0.613 2.623 1.150) 2.929 2.436 ( -0.387 -1.493 -1.309) 2.023 2.436 ( -0.387 1.493 -1.309) 2.023 2.591 ( -4.856 -0.156 3.469) 5.970 2.591 ( -4.856 0.156 3.469) 5.970 2.873 ( -0.304 -4.299 -0.988) 4.422 2.873 ( -0.304 4.299 -0.988) 4.422 3.004 ( 4.458 -4.347 -0.875) 6.288 3.004 ( 4.458 4.347 -0.875) 6.288 3.154 ( 1.077 -4.785 -4.764) 6.837 3.154 ( 1.077 4.785 -4.764) 6.837 3.325 ( 0.422 -0.764 -0.223) 0.901 3.325 ( 0.422 0.764 -0.223) 0.901 3.485 ( 4.877 -0.979 2.228) 5.451 3.485 ( 4.877 0.979 2.228) 5.451 3.665 ( 1.547 -2.913 -4.354) 5.462 3.665 ( 1.547 2.913 -4.354) 5.462 3.760 ( 3.041 -4.329 2.250) 5.750 3.760 ( 3.041 4.329 2.250) 5.750 3.848 ( 3.464 -1.251 0.429) 3.708 3.848 ( 3.464 1.251 0.429) 3.708 4.030 ( -0.817 -1.508 -0.180) 1.724 4.030 ( -0.816 1.508 -0.180) 1.724 4.184 ( 3.479 -1.158 2.534) 4.457 4.184 ( 3.479 1.158 2.534) 4.457 4.377 ( -2.427 -1.783 -0.483) 3.050 4.377 ( -2.427 1.783 -0.483) 3.050 4.471 ( 1.182 -0.983 -0.575) 1.642 4.471 ( 1.182 0.983 -0.575) 1.642 4.656 ( -2.417 -0.429 0.089) 2.456 4.656 ( -2.417 0.429 0.089) 2.456 5.281 ( -0.322 -1.152 -0.182) 1.210 5.281 ( -0.322 1.152 -0.182) 1.210 6.373 ( -0.810 -0.442 0.068) 0.925 6.373 ( -0.810 0.442 0.068) 0.925 8.652 ( -0.561 -1.126 -0.234) 1.279 8.652 ( -0.561 1.126 -0.234) 1.279 13.125 ( 1.793 -1.245 0.402) 2.219 13.125 ( 1.793 1.245 0.402) 2.219 13.345 ( 2.702 -0.658 -0.841) 2.905 13.345 ( 2.702 0.658 -0.841) 2.905 13.617 ( -4.097 -3.163 0.124) 5.177 13.617 ( -4.097 3.163 0.124) 5.177 13.826 ( -0.424 -2.431 0.547) 2.528 13.826 ( -0.424 2.431 0.547) 2.528 14.044 ( -0.367 -1.057 0.057) 1.121 14.044 ( -0.367 1.057 0.057) 1.121 ======================= Grid point 96 (51/92) ======================= q-point: ( 0.33 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -3.879 -4.744 -4.930) 7.864 1.139 ( -3.879 4.744 -4.930) 7.864 1.292 ( 1.881 -5.399 4.147) 7.063 1.292 ( 1.881 5.399 4.147) 7.063 1.372 ( 2.496 -4.246 -0.710) 4.976 1.372 ( 2.496 4.246 -0.710) 4.976 1.746 ( 0.765 -8.501 -1.982) 8.763 1.746 ( 0.765 8.501 -1.982) 8.763 1.902 ( 0.105 -4.532 3.344) 5.633 1.902 ( 0.105 4.532 3.344) 5.633 2.107 ( -4.425 -2.816 1.641) 5.496 2.107 ( -4.425 2.816 1.641) 5.496 2.312 ( -2.188 -1.455 -1.617) 3.085 2.312 ( -2.188 1.455 -1.617) 3.085 2.419 ( 0.301 -0.945 -1.411) 1.724 2.419 ( 0.301 0.945 -1.411) 1.724 2.572 ( -3.374 -0.661 4.172) 5.406 2.572 ( -3.374 0.661 4.172) 5.406 2.884 ( 2.440 -5.512 -1.870) 6.311 2.884 ( 2.440 5.512 -1.870) 6.311 3.054 ( 0.567 -2.250 -1.107) 2.571 3.054 ( 0.567 2.250 -1.107) 2.571 3.133 ( 2.432 -2.595 0.518) 3.594 3.133 ( 2.432 2.595 0.518) 3.594 3.341 ( 1.942 -2.484 -0.497) 3.192 3.341 ( 1.942 2.484 -0.497) 3.192 3.557 ( 0.456 -0.258 -0.044) 0.526 3.557 ( 0.456 0.258 -0.044) 0.526 3.637 ( 2.058 -3.726 -1.813) 4.626 3.637 ( 2.058 3.726 -1.813) 4.626 3.797 ( 1.743 -1.611 -1.317) 2.714 3.797 ( 1.743 1.611 -1.317) 2.714 3.933 ( 3.447 -1.114 1.219) 3.822 3.933 ( 3.447 1.114 1.219) 3.822 4.039 ( 1.785 -3.018 1.283) 3.734 4.039 ( 1.785 3.018 1.283) 3.734 4.240 ( 0.024 -1.439 1.715) 2.239 4.240 ( 0.024 1.439 1.715) 2.239 4.340 ( -0.668 -2.809 -0.917) 3.029 4.340 ( -0.668 2.809 -0.917) 3.029 4.483 ( 0.854 -0.610 -0.158) 1.062 4.483 ( 0.854 0.610 -0.158) 1.062 4.619 ( -2.421 -0.776 0.415) 2.576 4.619 ( -2.421 0.776 0.415) 2.576 5.277 ( -0.139 -1.997 -0.060) 2.003 5.277 ( -0.139 1.997 -0.060) 2.003 6.359 ( -0.762 -0.578 -0.128) 0.965 6.359 ( -0.762 0.578 -0.128) 0.965 8.640 ( -0.448 -2.011 -0.239) 2.074 8.640 ( -0.448 2.011 -0.239) 2.074 13.157 ( 1.321 -0.926 0.801) 1.801 13.157 ( 1.321 0.926 0.801) 1.801 13.374 ( 2.121 -0.563 -0.884) 2.366 13.374 ( 2.121 0.563 -0.884) 2.366 13.564 ( -3.169 -3.398 0.974) 4.748 13.564 ( -3.169 3.398 0.974) 4.748 13.819 ( -0.617 -2.391 -0.406) 2.502 13.819 ( -0.617 2.391 -0.406) 2.502 14.038 ( -0.112 -0.691 -0.342) 0.779 14.038 ( -0.112 0.691 -0.342) 0.779 ======================= Grid point 98 (52/92) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.237 -4.873 -0.544) 5.057 1.082 ( 1.237 4.873 -0.544) 5.057 1.334 ( -2.072 -4.934 2.934) 6.102 1.334 ( -2.072 4.934 2.934) 6.102 1.405 ( 0.797 -2.241 1.291) 2.706 1.405 ( 0.797 2.241 1.291) 2.706 1.725 ( 2.564 -4.733 -4.663) 7.122 1.725 ( 2.564 4.733 -4.663) 7.122 1.940 ( -0.790 -6.254 1.450) 6.468 1.940 ( -0.790 6.254 1.450) 6.468 2.059 ( -3.052 -1.537 2.247) 4.090 2.059 ( -3.052 1.537 2.247) 4.090 2.282 ( -0.131 -1.707 -0.273) 1.734 2.282 ( -0.131 1.707 -0.273) 1.734 2.398 ( 0.353 -2.164 -3.239) 3.911 2.398 ( 0.353 2.164 -3.239) 3.911 2.566 ( -3.238 -2.029 4.133) 5.629 2.566 ( -3.238 2.029 4.133) 5.629 2.883 ( 1.757 -5.205 -4.707) 7.235 2.883 ( 1.757 5.205 -4.707) 7.235 3.016 ( -0.523 -2.875 -3.035) 4.213 3.016 ( -0.523 2.875 -3.035) 4.213 3.227 ( 1.667 -4.506 6.952) 8.450 3.227 ( 1.667 4.506 6.952) 8.450 3.375 ( 2.515 -3.275 0.306) 4.141 3.375 ( 2.515 3.275 0.306) 4.141 3.520 ( -0.406 -1.154 -3.510) 3.718 3.520 ( -0.406 1.154 -3.510) 3.718 3.685 ( 1.594 -3.653 2.354) 4.629 3.685 ( 1.594 3.653 2.354) 4.629 3.804 ( 1.000 -2.246 -1.380) 2.819 3.804 ( 1.000 2.246 -1.380) 2.819 3.948 ( -0.105 -1.240 -2.209) 2.536 3.948 ( -0.105 1.240 -2.209) 2.536 4.100 ( 1.466 -0.765 2.551) 3.040 4.100 ( 1.466 0.765 2.551) 3.040 4.227 ( -2.542 -2.003 1.501) 3.567 4.227 ( -2.542 2.003 1.501) 3.567 4.345 ( 1.796 -3.453 -0.697) 3.954 4.345 ( 1.796 3.453 -0.697) 3.954 4.490 ( -0.052 -0.713 -0.045) 0.716 4.490 ( -0.052 0.713 -0.045) 0.716 4.594 ( -1.141 -0.472 0.549) 1.351 4.594 ( -1.141 0.472 0.549) 1.351 5.273 ( -0.083 -2.135 -0.304) 2.158 5.273 ( -0.083 2.135 -0.304) 2.158 6.348 ( -0.264 -0.601 -0.193) 0.684 6.348 ( -0.264 0.601 -0.193) 0.684 8.635 ( -0.037 -2.110 -0.098) 2.112 8.635 ( -0.037 2.110 -0.098) 2.112 13.184 ( 0.325 -0.454 1.608) 1.702 13.184 ( 0.325 0.454 1.608) 1.702 13.396 ( 1.416 -0.180 -0.175) 1.438 13.396 ( 1.416 0.180 -0.175) 1.438 13.535 ( -1.731 -3.556 0.955) 4.069 13.535 ( -1.731 3.556 0.955) 4.069 13.797 ( -0.459 -2.065 -1.987) 2.903 13.797 ( -0.459 2.065 -1.987) 2.903 14.034 ( 0.162 -0.105 -0.411) 0.455 14.034 ( 0.162 0.105 -0.411) 0.455 ======================= Grid point 100 (53/92) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 2.907 -3.358 0.702) 4.497 1.140 ( 2.907 3.358 0.702) 4.497 1.301 ( -2.377 -6.102 1.460) 6.709 1.301 ( -2.377 6.102 1.460) 6.709 1.431 ( 0.561 -1.479 1.725) 2.340 1.431 ( 0.561 1.479 1.725) 2.340 1.745 ( 5.082 -2.512 -3.596) 6.713 1.745 ( 5.082 2.512 -3.596) 6.713 1.897 ( -4.135 -7.877 0.414) 8.906 1.897 ( -4.135 7.877 0.414) 8.906 2.063 ( -1.470 -2.154 3.355) 4.249 2.063 ( -1.470 2.154 3.355) 4.249 2.286 ( 1.066 -3.299 -0.913) 3.585 2.286 ( 1.066 3.299 -0.913) 3.585 2.376 ( 1.479 -1.364 -3.221) 3.798 2.376 ( 1.479 1.364 -3.221) 3.798 2.548 ( -3.883 -2.086 2.439) 5.038 2.548 ( -3.883 2.086 2.439) 5.038 2.855 ( 1.075 -3.095 -2.879) 4.362 2.855 ( 1.075 3.095 -2.879) 4.362 2.989 ( 1.073 -5.867 -2.904) 6.633 2.989 ( 1.073 5.867 -2.904) 6.633 3.298 ( -1.001 -2.571 4.569) 5.337 3.298 ( -1.001 2.571 4.569) 5.337 3.424 ( 0.922 -3.309 2.517) 4.258 3.424 ( 0.922 3.309 2.517) 4.258 3.493 ( 0.813 -2.561 -1.235) 2.957 3.493 ( 0.813 2.561 -1.235) 2.957 3.710 ( -1.218 -3.506 0.336) 3.727 3.710 ( -1.218 3.506 0.336) 3.727 3.790 ( -0.710 -1.490 -1.637) 2.325 3.790 ( -0.710 1.490 -1.637) 2.325 3.911 ( -0.110 -2.082 -2.634) 3.359 3.911 ( -0.110 2.082 -2.634) 3.359 4.113 ( -2.994 -1.316 2.693) 4.236 4.113 ( -2.994 1.316 2.693) 4.236 4.216 ( -0.931 -0.646 0.810) 1.393 4.216 ( -0.931 0.646 0.810) 1.393 4.361 ( 0.380 -2.807 -0.075) 2.833 4.361 ( 0.380 2.807 -0.075) 2.833 4.490 ( 0.629 -1.700 -0.064) 1.814 4.490 ( 0.629 1.700 -0.064) 1.814 4.596 ( 0.521 -0.740 0.675) 1.129 4.596 ( 0.521 0.740 0.675) 1.129 5.269 ( 0.169 -1.317 -0.395) 1.385 5.269 ( 0.169 1.317 -0.395) 1.385 6.347 ( 0.346 -0.475 -0.218) 0.627 6.347 ( 0.346 0.475 -0.218) 0.627 8.637 ( 0.341 -1.352 -0.062) 1.396 8.637 ( 0.341 1.352 -0.062) 1.396 13.199 ( -1.169 -0.514 2.172) 2.519 13.199 ( -1.169 0.514 2.172) 2.519 13.404 ( -0.176 -0.324 -0.963) 1.031 13.404 ( -0.176 0.324 -0.963) 1.031 13.543 ( 0.872 -3.558 2.551) 4.464 13.543 ( 0.872 3.558 2.551) 4.464 13.765 ( 0.364 -1.867 -3.436) 3.927 13.765 ( 0.364 1.867 -3.436) 3.927 14.032 ( 0.148 -0.383 -0.387) 0.564 14.032 ( 0.148 0.383 -0.387) 0.564 ======================= Grid point 102 (54/92) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -3.833 -7.595 -2.736) 8.937 1.102 ( -3.833 7.595 -2.736) 8.937 1.349 ( 1.157 -2.948 2.365) 3.952 1.349 ( 1.157 2.948 2.365) 3.952 1.477 ( 4.800 -3.141 0.814) 5.794 1.477 ( 4.800 3.141 0.814) 5.794 1.779 ( 1.200 -2.276 -0.345) 2.597 1.779 ( 1.200 2.276 -0.345) 2.597 1.870 ( 1.040 -5.005 0.615) 5.149 1.870 ( 1.040 5.005 0.615) 5.149 2.059 ( -3.569 -1.556 2.950) 4.885 2.059 ( -3.569 1.556 2.950) 4.885 2.294 ( 0.075 -0.899 -0.987) 1.337 2.294 ( 0.075 0.899 -0.987) 1.337 2.368 ( 3.262 -1.873 -3.845) 5.378 2.368 ( 3.262 1.873 -3.845) 5.378 2.506 ( -2.765 -1.654 1.299) 3.474 2.506 ( -2.765 1.654 1.299) 3.474 2.881 ( 3.044 -2.941 1.735) 4.574 2.881 ( 3.044 2.941 1.735) 4.574 2.981 ( 1.764 -8.326 -2.806) 8.962 2.981 ( 1.764 8.326 -2.806) 8.962 3.304 ( -2.435 -1.063 1.812) 3.216 3.304 ( -2.435 1.063 1.812) 3.216 3.424 ( -1.045 -2.722 -2.243) 3.678 3.424 ( -1.045 2.722 -2.243) 3.678 3.514 ( -2.107 -2.178 4.143) 5.133 3.514 ( -2.107 2.178 4.143) 5.133 3.645 ( -2.830 -1.967 -3.299) 4.771 3.645 ( -2.830 1.967 -3.299) 4.771 3.759 ( -1.618 -1.401 -0.864) 2.308 3.759 ( -1.618 1.401 -0.864) 2.308 3.898 ( 0.198 -2.252 -0.636) 2.349 3.898 ( 0.198 2.252 -0.636) 2.349 4.082 ( -4.353 -2.559 2.309) 5.552 4.082 ( -4.353 2.559 2.309) 5.552 4.191 ( -2.877 -0.252 0.128) 2.891 4.191 ( -2.877 0.252 0.128) 2.891 4.367 ( 1.118 -2.638 -0.024) 2.865 4.367 ( 1.118 2.638 -0.024) 2.865 4.501 ( -0.014 -1.959 0.301) 1.982 4.501 ( -0.014 1.959 0.301) 1.982 4.626 ( 2.280 -1.197 0.600) 2.644 4.626 ( 2.280 1.197 0.600) 2.644 5.273 ( 0.796 -0.907 -0.106) 1.211 5.273 ( 0.796 0.907 -0.106) 1.211 6.353 ( 0.698 -0.341 -0.239) 0.813 6.353 ( 0.698 0.341 -0.239) 0.813 8.642 ( 0.535 -0.384 -0.219) 0.694 8.642 ( 0.535 0.384 -0.219) 0.694 13.188 ( -2.981 -0.599 1.761) 3.513 13.188 ( -2.981 0.599 1.761) 3.513 13.374 ( -1.477 -0.269 -1.475) 2.105 13.374 ( -1.477 0.269 -1.475) 2.105 13.615 ( 2.965 -3.424 4.017) 6.054 13.615 ( 2.965 3.424 4.017) 6.054 13.740 ( 1.678 -1.880 -3.832) 4.586 13.740 ( 1.678 1.880 -3.832) 4.586 14.029 ( 0.059 -0.694 -0.445) 0.827 14.029 ( 0.059 0.694 -0.445) 0.827 ======================= Grid point 104 (55/92) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -2.410 -8.722 -1.464) 9.167 1.023 ( -2.410 8.722 -1.464) 9.167 1.340 ( -2.431 -6.997 0.129) 7.408 1.340 ( -2.431 6.997 0.129) 7.408 1.562 ( 4.300 -4.282 -2.290) 6.486 1.562 ( 4.300 4.282 -2.290) 6.486 1.800 ( 0.356 -4.629 1.551) 4.895 1.800 ( 0.356 4.629 1.551) 4.895 1.905 ( 2.596 -3.689 -1.516) 4.759 1.905 ( 2.596 3.689 -1.516) 4.759 2.040 ( -2.820 -2.770 5.478) 6.755 2.040 ( -2.820 2.770 5.478) 6.755 2.263 ( -0.392 -2.662 -0.851) 2.823 2.263 ( -0.392 2.662 -0.851) 2.823 2.390 ( 0.189 -4.728 0.029) 4.732 2.390 ( 0.189 4.728 0.029) 4.732 2.535 ( 6.046 -0.794 -0.051) 6.098 2.535 ( 6.046 0.794 -0.051) 6.098 2.962 ( 1.212 -4.749 2.870) 5.680 2.962 ( 1.212 4.749 2.870) 5.680 2.994 ( 4.888 -2.089 -1.775) 5.604 2.994 ( 4.888 2.089 -1.775) 5.604 3.233 ( -6.794 -1.742 -2.812) 7.556 3.233 ( -6.794 1.742 -2.812) 7.556 3.369 ( -1.738 -0.700 -1.639) 2.490 3.369 ( -1.738 0.700 -1.639) 2.490 3.479 ( -3.679 -3.775 -0.048) 5.272 3.479 ( -3.679 3.775 -0.048) 5.272 3.609 ( -1.752 -2.136 1.334) 3.068 3.609 ( -1.752 2.136 1.334) 3.068 3.717 ( -1.750 -0.680 -1.184) 2.220 3.717 ( -1.750 0.680 -1.184) 2.220 3.891 ( -0.828 -2.262 0.216) 2.419 3.891 ( -0.828 2.262 0.216) 2.419 4.018 ( -4.943 -3.236 0.191) 5.911 4.018 ( -4.943 3.236 0.191) 5.911 4.150 ( -3.067 -1.513 1.591) 3.772 4.150 ( -3.067 1.513 1.591) 3.772 4.396 ( 2.112 -2.934 -0.121) 3.617 4.396 ( 2.112 2.934 -0.121) 3.617 4.492 ( -1.155 -1.494 0.095) 1.891 4.492 ( -1.155 1.494 0.095) 1.891 4.672 ( 2.520 -1.181 0.270) 2.796 4.672 ( 2.520 1.181 0.270) 2.796 5.291 ( 1.262 -2.440 0.007) 2.747 5.291 ( 1.262 2.440 0.007) 2.747 6.363 ( 0.709 -0.275 -0.134) 0.772 6.363 ( 0.709 0.275 -0.134) 0.772 8.649 ( 0.647 -1.679 -0.303) 1.825 8.649 ( 0.647 1.679 -0.303) 1.825 13.147 ( -3.772 -0.373 0.929) 3.903 13.147 ( -3.772 0.373 0.929) 3.903 13.334 ( -1.636 -0.242 -1.047) 1.957 13.334 ( -1.636 0.242 -1.047) 1.957 13.707 ( 2.786 -3.282 3.503) 5.550 13.707 ( 2.786 3.282 3.503) 5.550 13.738 ( 2.658 -1.976 -2.837) 4.361 13.738 ( 2.658 1.976 -2.837) 4.361 14.026 ( 0.110 -0.979 -0.365) 1.051 14.026 ( 0.110 0.979 -0.365) 1.051 ======================= Grid point 106 (56/92) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.768 -9.989 0.856) 10.055 0.997 ( -0.768 9.989 0.856) 10.055 1.304 ( -1.800 -9.068 -0.011) 9.245 1.304 ( -1.800 9.068 -0.011) 9.245 1.552 ( 1.443 -3.757 -6.519) 7.662 1.552 ( 1.443 3.757 -6.519) 7.662 1.783 ( -0.688 -0.663 -2.471) 2.649 1.783 ( -0.688 0.663 -2.471) 2.649 1.927 ( -0.176 -5.255 1.882) 5.584 1.927 ( -0.176 5.255 1.882) 5.584 2.103 ( -0.026 -5.593 7.503) 9.358 2.103 ( -0.026 5.593 7.503) 9.358 2.297 ( 3.354 -3.442 1.745) 5.113 2.297 ( 3.354 3.442 1.745) 5.113 2.379 ( -2.503 -4.202 2.374) 5.436 2.379 ( -2.503 4.202 2.374) 5.436 2.658 ( 9.581 -3.135 -2.421) 10.367 2.658 ( 9.581 3.135 -2.421) 10.367 2.950 ( -3.464 -7.667 -2.361) 8.739 2.950 ( -3.464 7.667 -2.361) 8.739 3.058 ( 0.430 -1.785 -2.661) 3.233 3.058 ( 0.430 1.785 -2.661) 3.233 3.114 ( 2.073 -0.633 -0.581) 2.243 3.114 ( 2.073 0.633 -0.581) 2.243 3.326 ( -5.044 -1.657 2.303) 5.787 3.326 ( -5.044 1.657 2.303) 5.787 3.423 ( -2.791 -3.724 -1.012) 4.762 3.423 ( -2.791 3.724 -1.012) 4.762 3.577 ( -1.168 -2.322 -1.512) 3.007 3.577 ( -1.168 2.322 -1.512) 3.007 3.694 ( -0.692 -1.332 0.417) 1.558 3.694 ( -0.692 1.332 0.417) 1.558 3.868 ( -2.351 -2.674 -0.333) 3.576 3.868 ( -2.351 2.674 -0.333) 3.576 3.970 ( -0.909 -2.412 1.252) 2.866 3.970 ( -0.909 2.412 1.252) 2.866 4.123 ( -2.951 -2.023 1.877) 4.041 4.123 ( -2.951 2.023 1.877) 4.041 4.421 ( 1.374 -2.857 -0.509) 3.211 4.421 ( 1.374 2.857 -0.509) 3.211 4.475 ( -0.943 -2.357 0.064) 2.539 4.475 ( -0.943 2.357 0.064) 2.539 4.704 ( 1.382 -1.363 -0.299) 1.964 4.704 ( 1.382 1.363 -0.299) 1.964 5.307 ( 0.900 -3.283 -0.509) 3.442 5.307 ( 0.900 3.283 -0.509) 3.442 6.372 ( 0.480 -0.119 0.138) 0.514 6.372 ( 0.480 0.119 0.138) 0.514 8.656 ( 0.604 -2.595 -0.178) 2.670 8.656 ( 0.604 2.595 -0.178) 2.670 13.101 ( -2.750 -0.297 0.673) 2.847 13.101 ( -2.750 0.297 0.673) 2.847 13.303 ( -0.869 -0.221 -0.703) 1.139 13.303 ( -0.869 0.221 -0.703) 1.139 13.742 ( 1.599 -1.241 -1.814) 2.718 13.742 ( 1.599 1.241 -1.814) 2.718 13.781 ( 1.653 -2.767 1.986) 3.785 13.781 ( 1.653 2.767 1.986) 3.785 14.028 ( 0.301 -1.238 0.194) 1.288 14.028 ( 0.301 1.238 0.194) 1.288 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.633 0.000 17.433) 17.631 0.836 ( -4.171 0.000 16.845) 17.354 1.135 ( 2.854 0.000 -15.576) 15.835 1.171 ( 4.385 0.000 -13.116) 13.830 1.384 ( -2.058 0.000 26.254) 26.334 1.728 ( 4.446 0.000 -7.391) 8.625 1.839 ( -3.126 0.000 3.095) 4.399 1.842 ( -7.586 0.000 2.360) 7.945 1.984 ( 0.977 0.000 -5.072) 5.165 2.042 ( -3.138 0.000 6.305) 7.043 2.076 ( -0.935 0.000 -9.792) 9.837 2.154 ( 10.191 0.000 -8.625) 13.351 2.349 ( -4.805 0.000 6.106) 7.770 2.465 ( 3.401 0.000 3.655) 4.992 2.483 ( 3.259 0.000 -5.246) 6.176 2.518 ( -1.314 0.000 -1.225) 1.796 2.706 ( -0.438 0.000 2.628) 2.665 2.733 ( 1.826 0.000 1.040) 2.102 2.820 ( 0.176 0.000 -0.354) 0.395 2.845 ( -4.452 0.000 -1.120) 4.591 2.948 ( -5.425 0.000 1.582) 5.651 2.998 ( 8.062 0.000 -4.019) 9.008 3.099 ( 2.522 0.000 1.108) 2.755 3.161 ( -3.898 0.000 -4.251) 5.768 3.193 ( 1.337 0.000 0.992) 1.665 3.225 ( -1.425 0.000 -2.056) 2.501 3.488 ( 0.138 0.000 1.360) 1.367 3.492 ( -0.859 0.000 1.171) 1.452 3.563 ( 0.494 0.000 1.760) 1.828 3.593 ( 0.270 0.000 -0.938) 0.976 3.640 ( -3.902 0.000 1.446) 4.161 3.680 ( 4.364 0.000 -2.389) 4.975 3.822 ( 4.858 0.000 2.527) 5.476 3.838 ( -0.374 0.000 1.689) 1.730 3.902 ( -3.512 0.000 -3.311) 4.827 3.905 ( 0.309 0.000 -3.318) 3.332 4.105 ( 1.273 0.000 1.372) 1.872 4.123 ( -2.116 0.000 -0.442) 2.161 4.381 ( -0.902 0.000 3.802) 3.908 4.443 ( -0.190 0.000 -2.037) 2.045 4.592 ( -1.973 0.000 4.886) 5.269 4.655 ( -0.122 0.000 2.251) 2.255 4.688 ( 2.152 0.000 -3.238) 3.888 4.728 ( -0.853 0.000 -3.478) 3.581 5.278 ( 2.669 0.000 1.520) 3.072 5.305 ( -1.975 0.000 -1.029) 2.228 6.369 ( 0.358 0.000 0.323) 0.482 6.371 ( -0.459 0.000 0.167) 0.488 8.651 ( 2.637 0.000 0.053) 2.638 8.655 ( -2.048 0.000 -0.242) 2.062 13.113 ( -5.131 0.000 1.144) 5.257 13.138 ( 3.856 0.000 -1.152) 4.024 13.240 ( -2.009 0.000 0.679) 2.121 13.252 ( 2.111 0.000 -0.496) 2.169 13.574 ( -3.289 0.000 2.444) 4.098 13.624 ( 3.367 0.000 -2.236) 4.042 13.825 ( -3.690 0.000 0.892) 3.796 13.851 ( 3.988 0.000 -1.640) 4.312 14.044 ( -1.444 0.000 2.254) 2.677 14.087 ( 1.381 0.000 -1.819) 2.284 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -4.588 0.000 15.324) 15.996 0.908 ( -2.448 0.000 -7.806) 8.181 1.004 ( -2.108 0.000 4.206) 4.705 1.112 ( 6.567 0.000 -13.088) 14.643 1.604 ( -2.055 0.000 6.980) 7.276 1.710 ( 9.107 0.000 -14.074) 16.763 1.794 ( -5.027 0.000 16.743) 17.482 1.850 ( -1.053 0.000 3.175) 3.345 1.965 ( 2.914 0.000 -3.937) 4.898 1.993 ( 0.918 0.000 -4.724) 4.813 2.087 ( 0.864 0.000 4.190) 4.278 2.230 ( 9.956 0.000 -7.203) 12.288 2.360 ( -3.975 0.000 7.988) 8.922 2.409 ( -8.484 0.000 -4.050) 9.401 2.491 ( 5.797 0.000 -5.461) 7.964 2.508 ( -1.117 0.000 1.768) 2.091 2.670 ( -5.783 0.000 1.296) 5.926 2.686 ( -6.099 0.000 -3.668) 7.117 2.783 ( -1.951 0.000 2.659) 3.298 2.822 ( -7.138 0.000 -0.964) 7.203 2.859 ( -0.407 0.000 3.953) 3.974 2.973 ( -4.124 0.000 -1.591) 4.420 3.126 ( 2.275 0.000 -1.883) 2.953 3.227 ( 2.666 0.000 -0.225) 2.675 3.254 ( 11.672 0.000 0.127) 11.673 3.293 ( 7.116 0.000 2.971) 7.712 3.477 ( -2.793 0.000 1.846) 3.348 3.478 ( -1.752 0.000 -1.253) 2.154 3.570 ( -0.609 0.000 -0.245) 0.656 3.585 ( -1.295 0.000 1.213) 1.775 3.615 ( 1.241 0.000 -0.922) 1.546 3.723 ( 3.186 0.000 -1.329) 3.452 3.801 ( -1.922 0.000 -4.680) 5.060 3.883 ( 2.389 0.000 -3.006) 3.840 3.898 ( 3.599 0.000 3.157) 4.788 3.940 ( 4.654 0.000 2.445) 5.257 4.116 ( 1.524 0.000 -1.377) 2.054 4.162 ( 3.705 0.000 1.824) 4.129 4.395 ( -2.923 0.000 3.891) 4.866 4.411 ( -0.376 0.000 -2.395) 2.425 4.608 ( -2.329 0.000 4.429) 5.004 4.649 ( -0.234 0.000 -2.406) 2.417 4.671 ( -1.489 0.000 -2.973) 3.324 4.704 ( -0.060 0.000 2.094) 2.095 5.253 ( -2.421 0.000 -1.655) 2.932 5.325 ( 1.580 0.000 0.768) 1.757 6.361 ( -0.855 0.000 0.004) 0.855 6.375 ( -0.018 0.000 0.115) 0.116 8.613 ( -2.474 0.000 -0.670) 2.563 8.685 ( 1.727 0.000 -0.046) 1.727 13.082 ( -1.008 0.000 1.433) 1.752 13.214 ( 6.004 0.000 0.002) 6.004 13.218 ( -1.462 0.000 0.454) 1.531 13.286 ( 2.837 0.000 -0.502) 2.881 13.538 ( -4.237 0.000 2.121) 4.738 13.643 ( 2.087 0.000 -2.367) 3.156 13.766 ( -4.860 0.000 0.983) 4.959 13.891 ( 2.990 0.000 -1.328) 3.272 14.033 ( -2.869 0.000 2.166) 3.595 14.080 ( 0.569 0.000 -1.942) 2.024 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 1.143 0.000 -15.406) 15.448 0.979 ( 5.047 0.000 2.026) 5.438 1.095 ( -1.902 0.000 11.085) 11.247 1.116 ( 5.786 0.000 -2.178) 6.182 1.540 ( -8.804 0.000 4.693) 9.977 1.707 ( 8.884 0.000 -13.118) 15.843 1.841 ( 1.371 0.000 -6.842) 6.978 1.874 ( -6.869 0.000 6.358) 9.360 2.007 ( 1.324 0.000 3.382) 3.632 2.014 ( 6.595 0.000 -1.543) 6.773 2.154 ( 0.466 0.000 4.911) 4.933 2.213 ( -8.443 0.000 -3.064) 8.982 2.293 ( 6.997 0.000 -7.095) 9.965 2.376 ( -4.860 0.000 5.049) 7.008 2.477 ( -6.516 0.000 3.695) 7.490 2.507 ( -7.555 0.000 -1.404) 7.685 2.589 ( -0.390 0.000 -0.064) 0.395 2.596 ( 8.062 0.000 -1.771) 8.255 2.767 ( -2.180 0.000 0.173) 2.187 2.771 ( -1.587 0.000 0.771) 1.764 2.867 ( -1.900 0.000 0.862) 2.086 2.898 ( -4.631 0.000 1.841) 4.984 3.130 ( 0.094 0.000 -1.151) 1.155 3.312 ( 4.516 0.000 4.503) 6.378 3.374 ( 1.898 0.000 -1.614) 2.492 3.430 ( 1.806 0.000 -1.856) 2.590 3.451 ( -3.422 0.000 2.357) 4.155 3.470 ( 7.146 0.000 4.284) 8.331 3.569 ( 1.290 0.000 -1.464) 1.951 3.574 ( 0.368 0.000 -0.827) 0.905 3.641 ( 3.385 0.000 -1.129) 3.569 3.726 ( 1.491 0.000 -1.615) 2.198 3.782 ( 2.899 0.000 -1.881) 3.456 3.891 ( 2.615 0.000 -3.127) 4.077 4.013 ( 5.744 0.000 3.084) 6.520 4.028 ( 3.694 0.000 0.910) 3.804 4.124 ( 1.956 0.000 -2.399) 3.095 4.245 ( 2.562 0.000 2.911) 3.878 4.373 ( -4.252 0.000 3.087) 5.254 4.382 ( 0.262 0.000 -2.757) 2.769 4.609 ( -2.677 0.000 2.152) 3.435 4.611 ( -0.345 0.000 -3.278) 3.296 4.634 ( -0.623 0.000 0.523) 0.813 4.714 ( -2.112 0.000 2.731) 3.452 5.205 ( -1.387 0.000 -0.889) 1.648 5.345 ( 0.520 0.000 -0.156) 0.543 6.345 ( -1.083 0.000 -0.092) 1.087 6.370 ( -0.421 0.000 -0.378) 0.566 8.568 ( -1.840 0.000 -0.756) 1.990 8.705 ( 1.036 0.000 -0.569) 1.182 13.103 ( 1.160 0.000 1.977) 2.292 13.205 ( -1.018 0.000 0.997) 1.424 13.295 ( 3.018 0.000 0.431) 3.049 13.346 ( 4.617 0.000 0.658) 4.663 13.488 ( -4.361 0.000 1.289) 4.548 13.638 ( 1.043 0.000 -2.980) 3.157 13.698 ( -4.948 0.000 1.269) 5.108 13.905 ( 0.297 0.000 -1.759) 1.784 14.013 ( -1.757 0.000 1.857) 2.556 14.069 ( 0.876 0.000 -2.019) 2.201 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 11.924 0.000 -1.259) 11.990 1.049 ( 11.430 0.000 -11.775) 16.410 1.149 ( -4.899 0.000 7.706) 9.131 1.265 ( 5.705 0.000 9.751) 11.297 1.471 ( -6.209 0.000 5.165) 8.076 1.696 ( 3.223 0.000 -7.176) 7.866 1.736 ( -1.132 0.000 -10.996) 11.055 1.753 ( -11.946 0.000 0.545) 11.958 2.052 ( 0.765 0.000 -1.580) 1.755 2.077 ( 3.530 0.000 -3.401) 4.902 2.133 ( 1.702 0.000 -0.199) 1.714 2.183 ( -2.356 0.000 2.777) 3.642 2.293 ( -6.719 0.000 1.922) 6.988 2.306 ( 3.984 0.000 -5.813) 7.047 2.417 ( -1.568 0.000 0.828) 1.773 2.417 ( -5.843 0.000 2.928) 6.536 2.639 ( -1.465 0.000 5.785) 5.968 2.698 ( 0.034 0.000 0.632) 0.633 2.748 ( 1.879 0.000 -1.407) 2.347 2.767 ( 3.902 0.000 -3.381) 5.163 2.833 ( 0.269 0.000 -1.050) 1.084 2.864 ( -4.038 0.000 4.111) 5.763 3.126 ( -0.553 0.000 1.847) 1.928 3.323 ( -1.447 0.000 -5.461) 5.649 3.407 ( -4.279 0.000 4.215) 6.006 3.420 ( 0.266 0.000 -0.836) 0.878 3.445 ( 2.443 0.000 5.181) 5.728 3.589 ( 3.749 0.000 -2.254) 4.375 3.597 ( 3.120 0.000 -1.057) 3.294 3.626 ( 3.783 0.000 6.013) 7.104 3.700 ( 4.083 0.000 0.420) 4.104 3.767 ( 4.286 0.000 -0.809) 4.362 3.799 ( 2.281 0.000 -3.321) 4.028 3.889 ( 1.883 0.000 -4.144) 4.552 4.079 ( 2.348 0.000 -0.045) 2.348 4.105 ( 0.963 0.000 0.971) 1.368 4.153 ( 5.114 0.000 -0.298) 5.123 4.280 ( -2.943 0.000 3.516) 4.585 4.349 ( -1.544 0.000 1.480) 2.139 4.362 ( 1.323 0.000 -2.959) 3.241 4.576 ( 0.377 0.000 -2.644) 2.671 4.594 ( -1.561 0.000 2.209) 2.704 4.638 ( -1.021 0.000 1.363) 1.703 4.697 ( -3.156 0.000 2.001) 3.737 5.196 ( 0.037 0.000 1.098) 1.099 5.341 ( -0.125 0.000 -1.082) 1.089 6.326 ( -1.008 0.000 -0.140) 1.018 6.354 ( -0.632 0.000 -0.925) 1.120 8.548 ( -0.230 0.000 0.350) 0.419 8.703 ( 0.130 0.000 -1.647) 1.652 13.159 ( 2.135 0.000 3.203) 3.849 13.210 ( -0.550 0.000 2.252) 2.318 13.341 ( 2.405 0.000 0.835) 2.546 13.403 ( -0.530 0.000 1.555) 1.642 13.436 ( -1.453 0.000 -0.812) 1.665 13.613 ( 0.604 0.000 -3.895) 3.941 13.645 ( -3.530 0.000 1.709) 3.921 13.860 ( -2.510 0.000 -2.464) 3.517 14.019 ( 0.151 0.000 0.882) 0.895 14.065 ( 1.164 0.000 -1.880) 2.211 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 14.238 0.000 8.082) 16.372 1.104 ( -8.853 0.000 5.800) 10.583 1.111 ( 10.428 0.000 -8.411) 13.398 1.433 ( -2.618 0.000 0.345) 2.641 1.459 ( 2.554 0.000 5.334) 5.914 1.548 ( -9.943 0.000 1.024) 9.996 1.609 ( 0.660 0.000 -9.675) 9.697 1.653 ( -1.881 0.000 -2.307) 2.977 2.007 ( -5.815 0.000 -3.393) 6.732 2.034 ( 3.117 0.000 -5.817) 6.600 2.182 ( -0.373 0.000 1.994) 2.028 2.185 ( 3.118 0.000 -0.159) 3.122 2.254 ( -4.130 0.000 4.018) 5.762 2.320 ( 3.819 0.000 -3.281) 5.035 2.375 ( -3.394 0.000 4.028) 5.267 2.444 ( 4.598 0.000 -2.078) 5.045 2.620 ( -6.152 0.000 3.914) 7.291 2.661 ( -2.617 0.000 0.239) 2.628 2.734 ( -0.166 0.000 -3.572) 3.575 2.772 ( 2.146 0.000 -2.712) 3.458 2.860 ( -2.000 0.000 3.807) 4.300 2.899 ( 5.808 0.000 -2.021) 6.150 3.150 ( -1.263 0.000 4.407) 4.585 3.253 ( 0.231 0.000 -4.309) 4.315 3.375 ( -3.640 0.000 3.455) 5.019 3.433 ( 1.854 0.000 -0.598) 1.949 3.538 ( -0.769 0.000 8.043) 8.079 3.614 ( -0.437 0.000 -0.257) 0.507 3.636 ( 5.239 0.000 -3.090) 6.083 3.712 ( 0.251 0.000 3.435) 3.444 3.764 ( 3.089 0.000 0.302) 3.104 3.771 ( 0.084 0.000 -4.263) 4.264 3.822 ( 3.294 0.000 -1.443) 3.596 3.863 ( 0.657 0.000 -3.786) 3.843 4.107 ( 1.304 0.000 -0.222) 1.322 4.110 ( -0.959 0.000 0.672) 1.171 4.228 ( 4.127 0.000 0.001) 4.127 4.249 ( -4.968 0.000 3.223) 5.922 4.342 ( -1.009 0.000 0.525) 1.137 4.361 ( 2.008 0.000 -2.522) 3.223 4.580 ( 2.831 0.000 -1.021) 3.009 4.594 ( -3.388 0.000 3.117) 4.603 4.636 ( 1.013 0.000 -0.213) 1.035 4.662 ( -3.241 0.000 1.181) 3.449 5.224 ( 0.835 0.000 2.523) 2.657 5.319 ( -0.503 0.000 -2.004) 2.066 6.313 ( -0.443 0.000 0.071) 0.449 6.333 ( -0.397 0.000 -1.099) 1.168 8.568 ( 1.015 0.000 1.947) 2.196 8.673 ( -0.797 0.000 -2.751) 2.864 13.236 ( 1.731 0.000 4.393) 4.722 13.238 ( 0.310 0.000 3.612) 3.625 13.359 ( -0.749 0.000 -2.630) 2.734 13.391 ( -0.273 0.000 0.043) 0.276 13.425 ( -0.418 0.000 1.517) 1.574 13.575 ( 0.732 0.000 -4.934) 4.988 13.634 ( -1.109 0.000 3.588) 3.756 13.786 ( -2.142 0.000 -3.741) 4.311 14.028 ( -0.144 0.000 0.675) 0.690 14.062 ( 0.919 0.000 -1.756) 1.982 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -13.004 0.000 5.058) 13.953 1.170 ( -6.863 0.000 -8.352) 10.810 1.214 ( -0.928 0.000 -1.857) 2.076 1.332 ( 11.539 0.000 9.669) 15.055 1.484 ( -1.885 0.000 0.104) 1.888 1.550 ( 1.651 0.000 -5.579) 5.818 1.598 ( 3.255 0.000 2.819) 4.306 1.614 ( 2.551 0.000 -3.288) 4.162 1.915 ( -3.942 0.000 4.030) 5.637 2.027 ( 3.296 0.000 -4.834) 5.851 2.185 ( -2.008 0.000 0.501) 2.069 2.207 ( 0.401 0.000 -0.449) 0.601 2.218 ( -6.592 0.000 5.594) 8.646 2.337 ( 3.171 0.000 -4.241) 5.295 2.393 ( 0.873 0.000 2.477) 2.626 2.489 ( 5.768 0.000 -5.468) 7.948 2.587 ( -2.918 0.000 5.318) 6.067 2.662 ( 1.472 0.000 1.896) 2.401 2.719 ( 0.650 0.000 -0.484) 0.811 2.757 ( 0.150 0.000 -2.622) 2.626 2.864 ( -1.162 0.000 0.798) 1.410 2.943 ( 4.375 0.000 -4.132) 6.018 3.169 ( -2.035 0.000 4.257) 4.719 3.232 ( 1.487 0.000 -3.132) 3.467 3.373 ( -2.565 0.000 4.565) 5.237 3.444 ( 1.373 0.000 -3.085) 3.377 3.583 ( -3.987 0.000 2.023) 4.471 3.591 ( -2.788 0.000 6.443) 7.020 3.678 ( 3.659 0.000 -2.049) 4.194 3.696 ( 0.520 0.000 -6.481) 6.502 3.734 ( -3.507 0.000 2.272) 4.179 3.789 ( -0.584 0.000 -0.583) 0.826 3.834 ( 0.684 0.000 -3.187) 3.260 3.838 ( 0.540 0.000 -1.077) 1.205 4.091 ( -2.429 0.000 1.270) 2.741 4.112 ( -0.829 0.000 0.277) 0.874 4.206 ( -3.818 0.000 2.157) 4.385 4.294 ( 4.541 0.000 -0.588) 4.579 4.326 ( -1.984 0.000 0.805) 2.141 4.364 ( 1.587 0.000 -2.069) 2.608 4.553 ( -4.207 0.000 1.674) 4.528 4.625 ( -2.664 0.000 0.925) 2.820 4.632 ( 4.015 0.000 -0.470) 4.042 4.670 ( 2.702 0.000 0.358) 2.726 5.269 ( 0.988 0.000 2.657) 2.835 5.282 ( -0.781 0.000 -2.767) 2.876 6.316 ( 0.349 0.000 0.518) 0.624 6.321 ( 0.245 0.000 -0.745) 0.784 8.614 ( 1.294 0.000 2.709) 3.002 8.622 ( -1.281 0.000 -3.164) 3.413 13.284 ( 0.119 0.000 4.199) 4.201 13.313 ( -0.835 0.000 -3.133) 3.242 13.315 ( 1.199 0.000 4.961) 5.104 13.331 ( -2.449 0.000 -4.467) 5.094 13.471 ( 0.320 0.000 4.555) 4.566 13.531 ( 1.354 0.000 -5.925) 6.078 13.689 ( 1.711 0.000 5.106) 5.384 13.720 ( -0.238 0.000 -4.312) 4.319 14.030 ( -0.905 0.000 1.120) 1.440 14.055 ( 0.642 0.000 -1.673) 1.792 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -14.528 0.000 9.229) 17.212 0.816 ( -17.693 0.000 -9.152) 19.920 1.296 ( 7.039 0.000 -3.682) 7.944 1.400 ( -13.840 0.000 9.341) 16.697 1.447 ( 0.026 0.000 -6.367) 6.367 1.560 ( 6.364 0.000 -2.576) 6.866 1.678 ( 4.103 0.000 2.034) 4.579 1.738 ( 11.840 0.000 2.706) 12.145 1.961 ( 0.795 0.000 5.723) 5.778 2.022 ( -1.062 0.000 -0.253) 1.092 2.138 ( -2.068 0.000 1.234) 2.408 2.191 ( -3.685 0.000 3.277) 4.932 2.214 ( 2.281 0.000 -1.153) 2.556 2.335 ( 2.738 0.000 -3.585) 4.511 2.448 ( 3.852 0.000 -0.278) 3.862 2.525 ( 6.699 0.000 -5.360) 8.580 2.624 ( -2.620 0.000 6.510) 7.018 2.699 ( -2.468 0.000 2.998) 3.884 2.732 ( 3.610 0.000 -2.919) 4.642 2.738 ( 0.201 0.000 -0.118) 0.233 2.839 ( -0.396 0.000 -2.207) 2.242 2.962 ( 4.390 0.000 -4.799) 6.504 3.202 ( -0.202 0.000 5.881) 5.884 3.203 ( -0.084 0.000 -4.777) 4.778 3.381 ( -1.979 0.000 3.250) 3.805 3.425 ( -0.499 0.000 -0.158) 0.523 3.540 ( -2.973 0.000 -0.766) 3.070 3.586 ( -3.331 0.000 2.063) 3.918 3.623 ( -0.335 0.000 -6.333) 6.342 3.693 ( -4.745 0.000 2.615) 5.417 3.706 ( -1.078 0.000 -0.285) 1.115 3.728 ( -4.290 0.000 0.420) 4.311 3.806 ( 0.237 0.000 -4.470) 4.476 3.825 ( -1.419 0.000 0.548) 1.521 4.065 ( -2.613 0.000 1.355) 2.944 4.090 ( -2.586 0.000 1.572) 3.026 4.164 ( -3.814 0.000 -0.248) 3.822 4.305 ( -1.999 0.000 2.242) 3.004 4.354 ( 4.258 0.000 -1.689) 4.581 4.365 ( 1.180 0.000 -1.955) 2.283 4.520 ( -2.265 0.000 2.451) 3.338 4.602 ( -1.438 0.000 1.061) 1.787 4.681 ( 3.242 0.000 -1.486) 3.567 4.720 ( 3.183 0.000 -0.161) 3.187 5.238 ( -0.757 0.000 -2.790) 2.891 5.309 ( 0.724 0.000 1.951) 2.081 6.325 ( 0.837 0.000 -0.174) 0.855 6.334 ( 0.823 0.000 0.862) 1.192 8.571 ( -1.016 0.000 -2.184) 2.409 8.660 ( 0.705 0.000 2.366) 2.469 13.238 ( -2.893 0.000 -4.135) 5.046 13.269 ( -0.357 0.000 -3.106) 3.126 13.313 ( -1.906 0.000 2.872) 3.447 13.387 ( 1.426 0.000 4.304) 4.534 13.495 ( 2.693 0.000 -6.209) 6.768 13.523 ( 0.078 0.000 4.402) 4.402 13.691 ( 1.751 0.000 -2.979) 3.455 13.781 ( 2.414 0.000 4.756) 5.333 14.025 ( -1.526 0.000 1.685) 2.273 14.048 ( 0.955 0.000 -1.733) 1.979 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -13.876 0.000 2.288) 14.063 0.724 ( -12.667 0.000 14.729) 19.427 1.286 ( -18.409 0.000 18.183) 25.875 1.318 ( 2.429 0.000 -6.432) 6.875 1.342 ( 1.227 0.000 -12.402) 12.462 1.636 ( 7.429 0.000 -4.122) 8.496 1.779 ( 5.332 0.000 2.044) 5.710 1.942 ( 10.306 0.000 -0.274) 10.310 1.978 ( -5.254 0.000 2.184) 5.690 2.018 ( -1.626 0.000 5.373) 5.613 2.160 ( -4.433 0.000 2.431) 5.056 2.190 ( 6.523 0.000 0.665) 6.557 2.244 ( 3.147 0.000 -3.248) 4.523 2.372 ( 4.127 0.000 0.694) 4.185 2.496 ( 2.428 0.000 -0.611) 2.504 2.576 ( -7.010 0.000 0.800) 7.056 2.578 ( 6.075 0.000 -4.314) 7.451 2.645 ( -3.490 0.000 -2.633) 4.371 2.765 ( 3.755 0.000 -1.376) 4.000 2.774 ( 2.611 0.000 0.779) 2.725 2.854 ( 3.565 0.000 1.451) 3.849 2.975 ( 3.274 0.000 -4.215) 5.337 3.149 ( -0.453 0.000 -3.107) 3.140 3.288 ( 1.293 0.000 6.769) 6.891 3.376 ( -3.024 0.000 2.223) 3.753 3.382 ( -6.766 0.000 -1.109) 6.856 3.489 ( 1.225 0.000 -2.483) 2.769 3.541 ( -3.987 0.000 -0.820) 4.070 3.569 ( -0.472 0.000 -1.522) 1.594 3.580 ( -6.377 0.000 -2.469) 6.838 3.651 ( -2.049 0.000 0.127) 2.053 3.724 ( -3.300 0.000 2.803) 4.330 3.750 ( 0.067 0.000 -3.787) 3.787 3.818 ( -1.935 0.000 3.350) 3.868 4.034 ( -2.633 0.000 0.348) 2.656 4.070 ( -5.450 0.000 -2.283) 5.909 4.078 ( -1.537 0.000 2.140) 2.634 4.318 ( -0.598 0.000 3.321) 3.374 4.332 ( -1.053 0.000 -5.153) 5.260 4.403 ( 3.171 0.000 -0.269) 3.182 4.532 ( -0.983 0.000 3.891) 4.014 4.609 ( 1.086 0.000 0.807) 1.353 4.697 ( 1.997 0.000 -3.139) 3.720 4.759 ( 2.482 0.000 -1.359) 2.830 5.205 ( -0.233 0.000 -1.174) 1.197 5.333 ( 0.141 0.000 1.004) 1.014 6.341 ( 0.974 0.000 0.202) 0.994 6.356 ( 0.688 0.000 0.822) 1.072 8.555 ( 0.603 0.000 0.315) 0.680 8.684 ( -0.302 0.000 1.390) 1.422 13.159 ( -1.757 0.000 -3.141) 3.599 13.238 ( 0.249 0.000 -2.074) 2.089 13.292 ( -2.938 0.000 1.053) 3.121 13.390 ( -3.546 0.000 -3.410) 4.920 13.516 ( 5.756 0.000 -1.638) 5.984 13.566 ( -0.517 0.000 3.767) 3.802 13.718 ( 4.046 0.000 -0.388) 4.065 13.851 ( 0.252 0.000 3.337) 3.347 14.021 ( -1.683 0.000 2.422) 2.949 14.053 ( 2.245 0.000 -1.885) 2.932 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 2.252 0.000 19.057) 19.189 0.738 ( -8.214 0.000 17.869) 19.667 1.236 ( 4.183 0.000 -14.726) 15.308 1.241 ( -15.214 0.000 24.324) 28.690 1.253 ( 1.011 0.000 -8.943) 9.000 1.701 ( 6.070 0.000 -3.852) 7.189 1.865 ( 2.754 0.000 0.524) 2.804 1.896 ( -5.920 0.000 1.164) 6.034 2.019 ( -1.050 0.000 -0.766) 1.299 2.074 ( 8.172 0.000 -3.155) 8.760 2.093 ( -8.473 0.000 4.044) 9.389 2.205 ( 0.918 0.000 -10.406) 10.447 2.330 ( 7.654 0.000 3.100) 8.258 2.404 ( -9.029 0.000 2.898) 9.483 2.452 ( 3.478 0.000 0.949) 3.605 2.562 ( -2.012 0.000 -2.833) 3.475 2.635 ( 5.361 0.000 -1.150) 5.483 2.639 ( 7.370 0.000 2.576) 7.807 2.818 ( 3.713 0.000 -1.662) 4.068 2.821 ( 3.670 0.000 -0.016) 3.670 2.933 ( 4.846 0.000 -1.817) 5.175 2.974 ( 0.284 0.000 -1.108) 1.144 3.118 ( -1.288 0.000 -1.337) 1.856 3.237 ( -6.622 0.000 -1.486) 6.786 3.293 ( -5.477 0.000 -3.169) 6.328 3.324 ( -7.647 0.000 2.031) 7.912 3.449 ( 0.532 0.000 0.159) 0.555 3.494 ( -0.301 0.000 0.528) 0.607 3.551 ( -0.575 0.000 1.671) 1.767 3.576 ( 0.945 0.000 1.086) 1.439 3.642 ( 2.890 0.000 -2.461) 3.796 3.684 ( -3.921 0.000 2.190) 4.491 3.747 ( 2.102 0.000 -0.222) 2.114 3.832 ( -0.812 0.000 2.411) 2.544 3.965 ( -3.233 0.000 -3.287) 4.611 3.983 ( -3.087 0.000 -1.522) 3.442 4.084 ( -0.600 0.000 1.871) 1.965 4.217 ( -5.718 0.000 -4.057) 7.011 4.349 ( -0.341 0.000 3.541) 3.557 4.445 ( 2.174 0.000 -0.726) 2.292 4.564 ( -1.201 0.000 4.709) 4.860 4.634 ( 0.881 0.000 0.212) 0.906 4.690 ( 2.109 0.000 -3.332) 3.944 4.764 ( 0.819 0.000 -2.677) 2.799 5.219 ( 1.916 0.000 1.457) 2.407 5.333 ( -0.831 0.000 -0.002) 0.831 6.357 ( 0.685 0.000 0.308) 0.751 6.370 ( 0.131 0.000 0.491) 0.508 8.597 ( 3.129 0.000 1.022) 3.292 8.681 ( -1.273 0.000 0.404) 1.336 13.120 ( 0.658 0.000 -2.069) 2.171 13.228 ( -7.235 0.000 -1.833) 7.464 13.233 ( 1.176 0.000 -0.971) 1.525 13.273 ( -4.001 0.000 0.460) 4.027 13.584 ( 4.839 0.000 -2.195) 5.314 13.585 ( -1.787 0.000 2.992) 3.485 13.793 ( 5.454 0.000 -1.247) 5.595 13.860 ( -2.274 0.000 1.688) 2.832 14.031 ( -0.768 0.000 2.866) 2.967 14.074 ( 2.612 0.000 -1.824) 3.186 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.702 2.663 17.687) 17.900 0.888 ( -5.411 5.335 14.956) 16.775 1.149 ( 1.033 1.557 -15.167) 15.281 1.187 ( 5.735 1.663 -12.648) 13.987 1.432 ( -3.013 1.594 15.810) 16.173 1.654 ( 2.514 -6.193 -6.436) 9.279 1.831 ( -0.443 1.593 6.827) 7.025 1.884 ( -7.671 0.301 1.439) 7.811 1.943 ( 2.731 -4.306 -1.280) 5.258 2.025 ( -2.175 1.987 2.109) 3.623 2.097 ( 1.127 1.440 -5.788) 6.070 2.148 ( 1.831 0.612 -5.369) 5.705 2.402 ( 2.880 -6.929 2.069) 7.784 2.424 ( 1.459 0.470 -1.020) 1.841 2.449 ( -2.023 2.024 4.461) 5.300 2.557 ( 0.168 3.890 -4.285) 5.790 2.706 ( 4.092 -0.260 2.061) 4.589 2.720 ( -3.113 -2.375 -0.259) 3.924 2.782 ( -1.503 -2.256 0.806) 2.828 2.823 ( -1.707 0.321 -1.946) 2.609 2.901 ( 2.998 -2.309 -0.234) 3.792 2.948 ( -2.542 -2.726 -3.205) 4.916 3.130 ( 2.663 1.229 2.348) 3.757 3.201 ( -1.777 1.933 -3.922) 4.719 3.229 ( 1.224 1.551 1.392) 2.416 3.273 ( -0.370 3.230 -2.350) 4.012 3.508 ( -1.686 1.813 1.550) 2.921 3.511 ( -0.808 -2.953 3.656) 4.769 3.532 ( 0.583 -1.309 -0.827) 1.654 3.585 ( 0.565 1.702 -1.431) 2.294 3.612 ( 1.915 -2.724 0.372) 3.350 3.649 ( -0.072 1.172 -0.871) 1.462 3.837 ( -0.022 -1.376 1.639) 2.140 3.886 ( 0.697 0.098 -1.143) 1.343 3.907 ( 2.904 4.023 0.816) 5.028 3.958 ( -2.038 4.536 -3.092) 5.856 4.095 ( 0.826 -0.807 1.266) 1.714 4.114 ( -2.461 -0.405 -0.591) 2.563 4.335 ( -0.672 -2.537 3.160) 4.108 4.389 ( 0.204 -2.793 -1.950) 3.412 4.590 ( -2.113 -1.062 3.705) 4.395 4.642 ( 0.221 -1.933 0.857) 2.126 4.682 ( 1.622 0.206 -0.105) 1.638 4.742 ( -0.769 -0.022 -3.291) 3.379 5.272 ( 1.486 -0.181 1.963) 2.468 5.316 ( -0.973 0.388 -2.470) 2.683 6.373 ( -0.051 0.342 0.341) 0.486 6.376 ( 0.004 0.378 0.136) 0.402 8.638 ( 1.102 -0.123 1.709) 2.037 8.676 ( -0.641 0.614 -2.061) 2.244 13.104 ( -3.849 -0.636 1.129) 4.061 13.124 ( 2.631 -0.973 -0.747) 2.903 13.256 ( -0.916 1.124 0.333) 1.488 13.265 ( 1.459 0.893 -0.440) 1.766 13.604 ( -2.708 2.500 1.512) 3.984 13.642 ( 2.750 1.610 -1.868) 3.694 13.831 ( -3.173 0.319 0.969) 3.333 13.855 ( 3.448 0.199 -1.306) 3.692 14.035 ( -1.443 -0.472 2.399) 2.839 14.076 ( 1.216 -0.878 -1.576) 2.176 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -2.683 4.060 2.470) 5.457 0.974 ( -1.282 5.600 -3.894) 6.940 1.000 ( -1.329 1.511 9.749) 9.955 1.146 ( 6.737 2.197 -11.598) 13.591 1.552 ( -0.793 -4.530 7.382) 8.697 1.632 ( 4.588 -6.642 -7.098) 10.750 1.774 ( -7.918 -0.980 5.547) 9.718 1.931 ( 0.839 3.832 7.565) 8.521 1.961 ( 1.482 1.044 -8.186) 8.384 1.997 ( 2.108 -1.437 2.333) 3.457 2.081 ( 1.636 2.237 -0.881) 2.908 2.185 ( 2.171 -4.107 -0.094) 4.647 2.336 ( -3.482 -1.778 -2.910) 4.874 2.444 ( -1.820 1.253 0.793) 2.347 2.493 ( 0.372 1.066 1.091) 1.570 2.541 ( 3.034 3.359 -1.777) 4.863 2.633 ( -4.958 -4.600 -1.626) 6.956 2.693 ( -7.520 1.671 0.006) 7.704 2.727 ( -3.261 -4.349 0.866) 5.504 2.838 ( -0.790 0.571 2.338) 2.533 2.873 ( 0.918 2.370 -0.519) 2.594 2.935 ( -1.904 -1.410 0.913) 2.539 3.104 ( -0.470 -1.585 -2.308) 2.839 3.250 ( 3.034 -0.225 0.728) 3.128 3.281 ( 5.888 2.072 -1.101) 6.338 3.321 ( 5.623 1.614 0.609) 5.881 3.481 ( -1.801 0.918 -0.316) 2.046 3.493 ( -3.474 -1.775 3.831) 5.468 3.563 ( -0.401 -0.669 -1.764) 1.928 3.569 ( 3.409 2.808 -0.966) 4.521 3.655 ( 2.856 1.639 -1.689) 3.701 3.697 ( 6.366 -2.280 0.059) 6.762 3.855 ( -0.688 1.329 -1.131) 1.876 3.876 ( 0.575 -0.363 1.169) 1.352 3.887 ( -0.625 2.735 -3.189) 4.248 3.984 ( 3.935 3.040 1.602) 5.225 4.111 ( 2.026 -0.978 -0.535) 2.312 4.149 ( 3.135 -0.442 2.004) 3.747 4.349 ( -1.630 -2.580 1.883) 3.585 4.375 ( 0.810 -2.063 -1.133) 2.489 4.593 ( -2.415 -1.479 3.809) 4.746 4.634 ( -0.385 -2.011 -1.703) 2.664 4.682 ( -1.748 0.397 -3.409) 3.851 4.710 ( -0.600 0.219 2.740) 2.813 5.259 ( -2.123 0.457 -1.639) 2.721 5.320 ( 1.296 -0.484 0.989) 1.700 6.365 ( -0.852 0.391 0.036) 0.938 6.378 ( -0.067 0.289 0.005) 0.296 8.621 ( -2.183 0.701 -1.133) 2.558 8.683 ( 1.372 -0.246 0.544) 1.496 13.084 ( -0.601 0.172 1.306) 1.448 13.172 ( 2.816 -2.039 0.395) 3.499 13.253 ( 1.335 1.524 -0.328) 2.052 13.295 ( 2.682 0.621 -0.555) 2.808 13.562 ( -4.302 2.081 1.480) 5.003 13.659 ( 1.469 1.497 -1.522) 2.591 13.781 ( -4.167 0.996 0.843) 4.367 13.889 ( 2.473 -0.282 -1.181) 2.755 14.028 ( -2.322 -0.179 2.017) 3.081 14.070 ( 0.534 -0.744 -1.736) 1.962 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 2.094 5.294 -14.251) 15.346 1.024 ( 4.403 3.313 -2.755) 6.160 1.100 ( 1.045 2.757 8.414) 8.915 1.187 ( 3.644 4.500 3.141) 6.587 1.533 ( -7.355 -1.297 4.210) 8.573 1.631 ( 1.557 -6.727 -2.873) 7.479 1.768 ( 1.665 -5.444 -1.785) 5.966 1.900 ( -0.589 1.411 -4.495) 4.748 1.985 ( -0.854 0.036 1.535) 1.757 2.037 ( 1.758 -0.973 -0.316) 2.034 2.130 ( -4.754 -4.200 -0.233) 6.348 2.154 ( 2.656 1.103 4.414) 5.268 2.289 ( -1.198 -1.093 -3.053) 3.457 2.390 ( -5.178 -0.330 0.201) 5.192 2.464 ( -2.662 0.869 -1.812) 3.335 2.524 ( -4.316 -1.695 -4.226) 6.273 2.588 ( -0.485 1.860 2.425) 3.094 2.634 ( 5.465 2.016 0.929) 5.899 2.721 ( -0.542 -4.505 0.811) 4.610 2.842 ( -2.858 1.793 4.082) 5.296 2.867 ( -1.908 5.537 -0.581) 5.886 2.909 ( -1.479 1.648 0.159) 2.221 3.109 ( 1.962 -2.073 0.033) 2.855 3.295 ( 0.785 -2.647 3.877) 4.759 3.337 ( 1.940 -1.121 -3.564) 4.210 3.392 ( 3.115 -2.469 0.338) 3.989 3.450 ( -1.534 1.025 0.248) 1.861 3.517 ( -0.151 1.765 3.337) 3.778 3.561 ( 4.280 0.404 -1.504) 4.555 3.621 ( 3.553 2.456 -0.449) 4.342 3.702 ( 5.026 2.033 -0.993) 5.512 3.776 ( 3.345 3.178 -2.593) 5.293 3.814 ( -0.165 4.687 -0.150) 4.693 3.876 ( 2.558 -1.279 -2.596) 3.863 3.937 ( 3.576 -3.990 2.007) 5.721 4.059 ( 4.023 1.204 0.588) 4.240 4.137 ( 1.702 0.861 -1.011) 2.159 4.225 ( 2.409 -1.267 3.133) 4.151 4.325 ( -1.456 -2.116 -0.756) 2.677 4.391 ( 0.448 -0.361 1.156) 1.292 4.594 ( -1.181 -1.874 -0.948) 2.409 4.602 ( -2.309 -1.367 2.321) 3.548 4.622 ( -0.962 -0.255 -2.633) 2.815 4.715 ( -2.535 -0.323 2.607) 3.650 5.215 ( -1.267 0.889 -0.890) 1.785 5.341 ( 0.265 -0.479 0.449) 0.708 6.349 ( -1.094 0.390 -0.099) 1.166 6.372 ( -0.450 0.158 -0.402) 0.624 8.578 ( -1.545 0.926 -0.916) 2.021 8.702 ( 0.528 -0.405 -0.040) 0.666 13.108 ( 1.335 0.399 1.827) 2.298 13.199 ( -0.207 -0.789 1.286) 1.523 13.299 ( 3.621 0.257 -0.014) 3.630 13.338 ( 3.551 -0.293 -0.432) 3.589 13.504 ( -4.602 1.713 1.061) 5.024 13.654 ( -0.030 1.460 -1.224) 1.906 13.721 ( -3.946 1.642 0.335) 4.287 13.899 ( 0.048 -0.637 -1.398) 1.537 14.014 ( -1.282 0.163 1.353) 1.871 14.059 ( 0.638 -0.717 -1.789) 2.030 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 10.370 5.567 -0.454) 11.779 1.051 ( 8.088 0.697 -9.070) 12.173 1.183 ( -1.366 2.939 3.845) 5.029 1.310 ( 3.807 3.523 8.414) 9.884 1.472 ( -5.428 0.088 4.531) 7.071 1.614 ( -1.608 -6.514 -0.354) 6.719 1.717 ( 0.861 -1.968 -9.776) 10.009 1.811 ( -8.937 3.484 0.906) 9.635 1.955 ( -0.424 -4.374 -5.569) 7.094 2.040 ( -2.403 -4.175 0.225) 4.822 2.109 ( 3.256 -1.556 0.909) 3.722 2.205 ( -0.016 1.669 0.513) 1.746 2.245 ( -2.277 -2.095 2.048) 3.711 2.341 ( -2.219 -0.955 2.775) 3.679 2.406 ( -0.055 -0.683 -4.907) 4.955 2.422 ( -2.146 1.263 -3.456) 4.260 2.627 ( 0.430 -0.481 2.166) 2.260 2.684 ( -2.306 -3.147 -0.675) 3.959 2.754 ( 5.138 -3.171 0.370) 6.049 2.831 ( -0.281 5.319 -0.978) 5.416 2.835 ( -3.400 5.644 2.009) 6.888 2.883 ( -1.147 1.948 -0.404) 2.296 3.159 ( 2.330 1.458 2.929) 4.017 3.299 ( 0.113 -1.111 -3.379) 3.559 3.349 ( -1.158 -2.128 4.427) 5.047 3.423 ( -1.304 -1.045 2.082) 2.669 3.457 ( 2.658 0.404 0.748) 2.790 3.564 ( 3.829 -2.963 0.339) 4.853 3.618 ( 1.523 1.165 1.286) 2.309 3.671 ( 2.447 4.476 0.798) 5.163 3.762 ( 1.124 1.766 -2.459) 3.229 3.783 ( 5.165 2.376 -0.905) 5.756 3.842 ( 2.282 3.775 -1.157) 4.560 3.890 ( 2.458 -0.728 -2.787) 3.786 4.013 ( 3.822 -2.391 0.440) 4.530 4.132 ( 4.259 -1.510 0.152) 4.521 4.138 ( -0.828 1.645 0.435) 1.892 4.278 ( -0.854 -0.311 3.482) 3.598 4.298 ( -0.237 -1.644 -0.994) 1.936 4.403 ( 0.229 0.657 -0.128) 0.708 4.557 ( -0.081 -1.783 -2.230) 2.856 4.589 ( -1.309 0.007 1.362) 1.890 4.611 ( -0.790 -2.352 1.028) 2.686 4.690 ( -3.427 -0.831 1.724) 3.925 5.204 ( -0.007 0.791 0.716) 1.067 5.339 ( -0.447 -0.368 -0.586) 0.824 6.331 ( -0.963 0.422 -0.112) 1.058 6.356 ( -0.609 0.191 -0.809) 1.030 8.559 ( -0.180 1.091 0.301) 1.146 8.698 ( -0.208 -0.543 -1.222) 1.353 13.162 ( 2.107 0.273 2.890) 3.587 13.212 ( -0.389 0.026 2.266) 2.300 13.349 ( 2.764 0.431 0.141) 2.801 13.388 ( 2.461 -1.624 -0.189) 2.954 13.444 ( -3.933 1.926 0.698) 4.435 13.635 ( -0.620 1.579 -1.201) 2.078 13.666 ( -2.707 1.746 -0.464) 3.255 13.857 ( -2.439 -0.405 -2.249) 3.343 14.020 ( 0.319 0.071 0.511) 0.606 14.053 ( 0.829 -0.933 -1.593) 2.024 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 12.126 1.879 7.942) 14.617 1.085 ( 1.282 1.895 -0.062) 2.289 1.150 ( 0.378 1.465 -3.325) 3.653 1.444 ( -5.414 0.801 1.239) 5.611 1.457 ( 4.847 0.222 4.137) 6.376 1.560 ( -2.947 -0.528 -1.438) 3.321 1.626 ( -0.391 -0.735 -6.000) 6.057 1.671 ( -6.142 4.072 -1.461) 7.512 1.878 ( -3.867 -7.740 0.150) 8.654 1.995 ( 1.068 -2.684 -5.275) 6.014 2.178 ( -0.461 -0.962 2.083) 2.340 2.212 ( 1.017 1.548 -0.548) 1.931 2.248 ( 0.186 -1.853 3.914) 4.334 2.342 ( -1.266 1.232 -0.730) 1.911 2.350 ( -1.523 -2.039 0.604) 2.616 2.402 ( 3.607 -1.455 -4.187) 5.715 2.618 ( -3.709 -0.101 1.095) 3.868 2.648 ( 1.024 -4.110 -2.218) 4.781 2.769 ( -3.379 1.113 1.063) 3.713 2.809 ( 0.089 3.567 -2.632) 4.434 2.832 ( -1.692 0.899 3.570) 4.052 2.887 ( 4.637 1.234 -3.294) 5.820 3.236 ( 1.666 4.387 3.667) 5.956 3.282 ( 1.389 2.639 -1.788) 3.477 3.356 ( -2.966 -0.897 3.617) 4.762 3.436 ( 0.796 -0.424 1.028) 1.368 3.502 ( 0.486 -2.318 2.450) 3.407 3.639 ( 2.603 0.017 -0.818) 2.729 3.645 ( 1.522 0.373 2.570) 3.010 3.695 ( 0.216 2.352 -0.149) 2.367 3.756 ( 0.492 -0.809 -1.177) 1.511 3.819 ( 0.628 1.546 -1.956) 2.571 3.860 ( 1.499 2.364 -1.153) 3.028 3.892 ( 2.452 1.116 -3.389) 4.330 4.067 ( 2.597 -0.665 0.145) 2.684 4.107 ( -2.745 0.353 0.229) 2.778 4.201 ( 2.156 -1.665 1.507) 3.113 4.258 ( -2.475 0.126 0.540) 2.536 4.318 ( 0.956 -0.795 1.711) 2.115 4.397 ( 0.236 1.119 -1.834) 2.162 4.557 ( 2.144 -1.916 -0.572) 2.932 4.579 ( -3.349 -1.450 2.135) 4.228 4.618 ( 1.716 -1.285 -0.045) 2.144 4.650 ( -3.156 -0.977 0.984) 3.447 5.228 ( 0.938 0.322 2.043) 2.271 5.315 ( -0.862 -0.424 -1.735) 1.984 6.319 ( -0.376 0.536 0.115) 0.665 6.338 ( -0.360 0.375 -0.944) 1.078 8.578 ( 0.937 0.890 1.724) 2.154 8.670 ( -0.829 -0.313 -2.299) 2.464 13.229 ( 1.097 -0.454 3.642) 3.830 13.240 ( 0.355 0.071 3.393) 3.412 13.369 ( 0.347 0.665 -2.607) 2.712 13.391 ( 0.041 -0.726 -2.991) 3.078 13.433 ( -0.472 1.924 5.171) 5.537 13.602 ( 0.327 2.269 -4.670) 5.202 13.643 ( -1.258 0.611 3.166) 3.461 13.786 ( -2.059 -0.136 -3.593) 4.143 14.027 ( -0.077 -0.084 0.341) 0.359 14.050 ( 0.797 -0.947 -1.379) 1.853 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -11.925 1.908 4.293) 12.817 1.186 ( 7.403 -1.467 -2.535) 7.962 1.230 ( -12.730 4.275 -7.215) 15.244 1.361 ( 11.275 1.982 7.179) 13.513 1.490 ( -3.889 0.958 1.504) 4.278 1.558 ( -1.404 -2.959 0.731) 3.356 1.582 ( 1.918 2.655 -4.488) 5.556 1.654 ( 7.800 1.206 -1.140) 7.974 1.852 ( -3.229 -3.700 5.032) 7.032 1.977 ( 4.288 -3.278 -5.305) 7.568 2.169 ( -4.725 -1.363 2.976) 5.748 2.199 ( 0.184 0.320 1.033) 1.097 2.265 ( -3.465 2.264 1.996) 4.595 2.318 ( -2.567 -3.903 -1.422) 4.884 2.364 ( 4.292 0.430 -0.997) 4.427 2.431 ( 5.018 -3.974 -3.176) 7.146 2.587 ( -2.100 -0.759 2.659) 3.472 2.647 ( 1.435 -1.382 -1.506) 2.497 2.742 ( -2.163 0.505 2.938) 3.683 2.795 ( 0.297 -0.190 -0.525) 0.632 2.828 ( -1.171 1.679 0.761) 2.184 2.932 ( 5.838 1.835 -4.507) 7.600 3.245 ( -3.065 4.281 1.167) 5.392 3.300 ( 2.105 3.925 -1.490) 4.696 3.366 ( -2.326 -0.742 4.497) 5.117 3.437 ( 1.404 -0.826 -3.142) 3.539 3.546 ( -1.257 0.428 5.541) 5.697 3.618 ( 0.600 -1.006 -5.671) 5.791 3.651 ( -3.445 1.149 2.537) 4.430 3.724 ( 1.800 -0.350 -2.549) 3.140 3.754 ( -1.625 1.138 3.502) 4.025 3.789 ( -0.602 0.447 -1.503) 1.680 3.847 ( -1.414 1.062 -1.146) 2.107 3.888 ( 0.818 1.746 -2.887) 3.472 4.062 ( -3.361 -0.981 0.561) 3.546 4.103 ( 1.272 0.887 0.725) 1.712 4.199 ( -3.661 -0.570 1.781) 4.111 4.261 ( 1.558 -1.684 -0.247) 2.307 4.353 ( 0.599 0.885 1.783) 2.079 4.374 ( 0.571 0.397 -2.566) 2.658 4.535 ( -3.679 -1.557 1.402) 4.234 4.605 ( 1.812 -2.162 0.121) 2.823 4.614 ( -0.698 -0.941 0.225) 1.193 4.658 ( 2.743 -1.059 0.306) 2.956 5.267 ( -0.098 -0.182 0.882) 0.906 5.281 ( 0.499 -0.145 -1.005) 1.131 6.322 ( 0.228 0.535 0.392) 0.701 6.328 ( 0.360 0.556 -0.604) 0.896 8.619 ( 0.944 0.420 1.881) 2.146 8.626 ( -0.761 0.316 -2.267) 2.412 13.266 ( -0.858 -1.146 2.633) 2.997 13.282 ( -0.040 -1.584 1.420) 2.128 13.339 ( -1.169 1.185 -1.270) 2.094 13.347 ( -0.563 1.049 -1.745) 2.112 13.495 ( 0.675 2.094 4.987) 5.451 13.554 ( 1.246 2.053 -5.950) 6.417 13.694 ( 1.647 0.146 4.868) 5.141 13.724 ( -0.086 0.196 -4.071) 4.077 14.026 ( -0.793 -0.272 0.752) 1.126 14.046 ( 0.567 -0.708 -1.298) 1.583 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -12.469 3.122 8.133) 15.211 0.892 ( -15.456 6.417 -9.421) 19.205 1.281 ( 6.837 -0.604 -4.256) 8.076 1.414 ( -5.817 2.835 2.917) 7.098 1.523 ( -3.779 -1.493 0.738) 4.130 1.541 ( 3.570 2.941 0.110) 4.627 1.616 ( 4.862 -2.522 0.384) 5.490 1.805 ( 9.183 2.483 2.245) 9.774 1.878 ( 1.860 -3.578 1.409) 4.272 2.016 ( 4.272 -2.235 -0.435) 4.841 2.128 ( -4.480 -0.206 4.605) 6.428 2.209 ( -0.494 1.168 -2.320) 2.645 2.242 ( -0.557 0.670 0.550) 1.030 2.286 ( 0.043 -5.323 2.894) 6.059 2.394 ( 3.122 0.660 -2.853) 4.281 2.468 ( 2.550 -5.358 -2.682) 6.511 2.615 ( 1.246 -3.020 2.769) 4.282 2.664 ( 1.530 -0.323 0.782) 1.749 2.727 ( -5.283 -3.090 2.511) 6.615 2.804 ( 1.579 5.617 0.863) 5.898 2.840 ( 2.810 0.831 -1.058) 3.116 2.972 ( 5.767 2.755 -5.226) 8.256 3.197 ( -3.900 -0.209 0.543) 3.943 3.282 ( -0.913 5.016 -2.642) 5.742 3.368 ( -1.681 -0.244 2.379) 2.924 3.442 ( 1.474 -0.888 -0.423) 1.772 3.515 ( -3.115 -0.974 -3.440) 4.742 3.574 ( -2.789 -1.660 -2.312) 3.985 3.637 ( -1.580 2.163 4.213) 4.993 3.690 ( -1.103 1.067 -2.932) 3.309 3.735 ( -2.725 -0.498 -0.118) 2.773 3.780 ( -5.456 2.678 2.903) 6.736 3.811 ( 0.761 1.827 -0.929) 2.187 3.858 ( -1.232 1.951 -1.413) 2.705 4.011 ( -3.792 -2.369 0.436) 4.493 4.114 ( -1.845 1.352 1.299) 2.631 4.158 ( -2.302 -0.103 -0.354) 2.331 4.264 ( -1.572 -1.932 1.672) 3.000 4.356 ( 1.434 -0.634 -3.544) 3.875 4.388 ( 1.306 0.834 1.368) 2.067 4.510 ( -1.455 -0.925 1.909) 2.572 4.580 ( -2.168 -1.318 1.107) 2.768 4.657 ( 3.272 -2.014 -1.566) 4.149 4.708 ( 3.230 -1.179 -0.007) 3.438 5.233 ( -0.887 -0.076 -1.931) 2.127 5.320 ( 1.733 0.386 1.202) 2.144 6.330 ( 0.739 0.427 -0.039) 0.854 6.340 ( 0.820 0.498 0.548) 1.105 8.581 ( -0.860 0.866 -1.915) 2.271 8.665 ( 1.179 0.227 1.885) 2.235 13.226 ( -2.864 -0.870 -2.621) 3.979 13.267 ( -0.396 -0.616 -2.487) 2.593 13.322 ( -2.058 0.236 2.216) 3.033 13.352 ( -1.298 -1.217 2.667) 3.206 13.517 ( 3.004 2.372 -5.264) 6.509 13.565 ( 1.237 2.794 3.872) 4.933 13.700 ( 1.937 0.633 -2.733) 3.409 13.784 ( 2.595 -0.048 4.507) 5.201 14.020 ( -1.270 -0.389 1.220) 1.804 14.041 ( 0.733 -0.528 -1.275) 1.563 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -12.031 9.293 -0.274) 15.205 0.783 ( -9.901 5.215 12.890) 17.070 1.281 ( 2.426 0.197 -7.553) 7.936 1.360 ( -5.991 4.361 2.675) 7.878 1.442 ( -7.480 5.740 2.487) 9.751 1.600 ( 4.895 -3.389 -1.254) 6.085 1.695 ( 4.958 -4.817 0.369) 6.923 1.918 ( 2.033 -3.909 0.163) 4.409 1.952 ( 4.421 0.750 1.713) 4.800 2.062 ( -2.103 0.493 1.493) 2.626 2.135 ( 3.465 -2.892 -1.640) 4.802 2.191 ( 0.746 2.166 3.499) 4.182 2.244 ( 1.555 -0.968 -3.231) 3.714 2.357 ( 2.116 -2.482 4.153) 5.280 2.443 ( 2.853 -3.699 1.625) 4.946 2.457 ( 2.307 -2.241 -1.896) 3.734 2.643 ( -4.662 -0.615 -0.958) 4.799 2.646 ( 0.091 -0.389 -0.299) 0.499 2.718 ( 2.934 -2.789 1.493) 4.315 2.850 ( 3.045 5.677 0.265) 6.448 2.892 ( 4.500 2.985 0.003) 5.400 2.971 ( 1.301 1.597 -6.114) 6.451 3.150 ( -1.069 -1.431 -2.306) 2.917 3.265 ( -0.663 0.709 3.140) 3.286 3.351 ( -4.910 -1.093 2.098) 5.450 3.395 ( -3.002 -2.597 -4.960) 6.353 3.467 ( 0.417 -0.916 -0.350) 1.065 3.517 ( -1.903 -0.594 -0.892) 2.184 3.619 ( -1.652 1.903 -2.294) 3.408 3.643 ( -2.530 2.305 -2.295) 4.121 3.676 ( -6.152 4.726 2.910) 8.285 3.713 ( -3.349 -0.848 1.166) 3.646 3.823 ( 0.353 4.822 -0.268) 4.842 3.830 ( -1.644 0.724 1.659) 2.445 3.955 ( -3.158 -4.135 -0.038) 5.203 4.066 ( -3.714 -0.243 -0.451) 3.749 4.125 ( -2.206 2.232 0.497) 3.177 4.263 ( -1.567 -2.672 1.962) 3.666 4.324 ( -0.390 -1.039 -3.766) 3.926 4.416 ( 0.836 0.206 -0.375) 0.940 4.525 ( -0.418 -0.859 3.547) 3.673 4.578 ( -0.099 -1.524 2.067) 2.570 4.675 ( 2.253 -1.756 -2.987) 4.133 4.754 ( 2.805 -1.044 -0.847) 3.110 5.210 ( 0.021 0.692 -0.547) 0.882 5.351 ( 1.419 0.639 -0.492) 1.632 6.345 ( 0.982 0.394 0.210) 1.078 6.359 ( 0.631 0.263 0.670) 0.957 8.565 ( 0.335 1.026 0.083) 1.083 8.696 ( 0.869 0.405 0.610) 1.136 13.155 ( -2.085 -0.310 -2.452) 3.234 13.235 ( -0.440 -1.010 -2.029) 2.309 13.293 ( -3.412 -0.297 0.786) 3.514 13.331 ( -3.776 -2.103 0.590) 4.363 13.538 ( 4.885 2.383 -2.762) 6.097 13.617 ( 0.757 3.190 2.195) 3.945 13.730 ( 3.768 0.782 -0.251) 3.857 13.854 ( 0.562 -0.006 2.847) 2.902 14.016 ( -1.217 -0.336 1.944) 2.318 14.046 ( 1.730 -0.567 -1.374) 2.281 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.960 5.687 16.197) 17.194 0.813 ( -6.286 6.261 15.164) 17.568 1.232 ( 4.290 1.229 -10.663) 11.559 1.274 ( -0.410 2.506 -8.676) 9.040 1.375 ( -10.982 7.094 14.116) 19.241 1.656 ( 3.753 -5.299 -2.291) 6.885 1.770 ( 2.467 -3.046 1.992) 4.397 1.935 ( 3.220 -5.165 -4.465) 7.548 1.978 ( -3.956 -1.385 1.058) 4.323 2.007 ( -3.123 2.534 2.747) 4.870 2.174 ( -2.010 0.513 -0.406) 2.114 2.196 ( 1.902 -1.201 -6.689) 7.057 2.290 ( 6.479 -0.856 0.816) 6.586 2.410 ( -1.254 -1.003 2.042) 2.598 2.430 ( -1.037 -0.892 4.327) 4.538 2.595 ( 2.289 2.507 -1.280) 3.628 2.620 ( 6.091 -0.649 1.777) 6.378 2.636 ( 3.416 -1.871 0.147) 3.897 2.765 ( 2.475 -1.671 -0.900) 3.119 2.891 ( -2.424 0.215 -3.804) 4.516 2.899 ( 2.504 1.806 -1.365) 3.376 2.977 ( 4.619 1.784 -2.413) 5.508 3.087 ( -2.559 -2.755 -0.906) 3.868 3.254 ( -5.113 0.689 -0.086) 5.160 3.287 ( -1.492 -1.463 -0.473) 2.142 3.333 ( -3.991 1.354 -0.592) 4.256 3.460 ( -0.222 -1.924 2.856) 3.451 3.501 ( -0.295 1.144 0.318) 1.223 3.565 ( -2.648 0.608 -0.914) 2.866 3.586 ( 1.746 0.089 -4.515) 4.841 3.628 ( -3.032 2.193 2.122) 4.301 3.677 ( -4.448 0.606 2.359) 5.071 3.832 ( -0.550 -0.820 0.901) 1.337 3.839 ( 2.258 5.783 0.555) 6.233 3.915 ( -1.034 -3.044 -1.122) 3.405 4.010 ( -2.289 1.986 -1.015) 3.196 4.096 ( -2.041 0.111 0.933) 2.247 4.202 ( -4.875 -0.606 -2.817) 5.663 4.310 ( -0.280 -2.178 2.256) 3.148 4.407 ( -0.088 -1.816 -1.524) 2.372 4.568 ( -0.497 -0.570 4.430) 4.494 4.611 ( 0.667 -1.403 2.513) 2.955 4.673 ( 2.100 -1.145 -3.193) 3.989 4.770 ( 1.179 -0.632 -2.247) 2.614 5.226 ( 1.443 0.702 1.263) 2.042 5.350 ( 0.167 0.561 -1.995) 2.079 6.362 ( 0.729 0.422 0.288) 0.890 6.373 ( 0.167 0.198 0.507) 0.569 8.593 ( 1.734 0.271 1.516) 2.319 8.701 ( 0.090 0.698 -1.141) 1.340 13.115 ( 0.045 -0.362 -1.582) 1.623 13.181 ( -5.350 -2.813 -0.417) 6.059 13.252 ( -0.514 1.078 -0.300) 1.232 13.283 ( -2.475 0.727 0.507) 2.628 13.590 ( 3.627 1.822 -0.956) 4.170 13.634 ( -0.219 2.810 0.339) 2.839 13.799 ( 4.540 0.312 -0.355) 4.565 13.863 ( -1.932 0.119 1.258) 2.309 14.025 ( -0.965 -0.291 2.624) 2.811 14.064 ( 2.228 -0.831 -1.472) 2.797 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.026 6.997 12.508) 14.369 1.048 ( -2.231 8.225 8.500) 12.036 1.183 ( -0.724 0.975 -12.651) 12.709 1.253 ( 4.747 3.725 -10.487) 12.099 1.388 ( -1.066 -4.074 5.254) 6.733 1.494 ( 1.002 -7.986 -5.180) 9.572 1.797 ( -3.045 -4.349 3.244) 6.221 1.832 ( 3.439 -4.698 -0.938) 5.897 1.939 ( -2.534 2.921 4.956) 6.286 2.050 ( -1.467 -4.294 -2.888) 5.379 2.155 ( 0.241 7.317 4.949) 8.837 2.215 ( -0.751 5.331 -1.986) 5.739 2.281 ( -3.507 -0.669 5.109) 6.233 2.413 ( 3.482 -0.173 -3.406) 4.873 2.524 ( 0.261 -4.011 2.206) 4.585 2.561 ( -0.865 3.082 3.133) 4.479 2.608 ( -1.426 -7.739 -1.579) 8.026 2.695 ( 3.026 -0.883 -5.645) 6.465 2.792 ( 0.864 2.323 2.621) 3.607 2.843 ( -0.899 -1.137 -2.303) 2.721 2.907 ( 2.497 4.451 0.077) 5.104 2.950 ( -1.888 3.256 -3.532) 5.161 3.126 ( -0.932 -1.283 1.688) 2.316 3.197 ( -0.699 -2.338 -4.310) 4.953 3.252 ( 1.001 0.975 2.576) 2.930 3.317 ( 1.511 -0.163 -3.007) 3.370 3.429 ( 0.237 -2.871 4.057) 4.976 3.481 ( -3.358 -4.309 -0.246) 5.469 3.523 ( 1.579 0.573 -0.384) 1.723 3.551 ( 2.097 -0.542 -2.394) 3.228 3.681 ( 0.430 4.118 1.535) 4.416 3.710 ( -1.063 3.447 -0.029) 3.607 3.800 ( 0.608 -1.595 2.616) 3.124 3.863 ( -0.482 -1.882 -2.362) 3.059 3.998 ( 1.871 2.798 1.491) 3.681 4.027 ( -0.353 1.299 -1.400) 1.942 4.090 ( 1.796 1.210 2.292) 3.153 4.126 ( -4.169 1.155 -0.750) 4.391 4.330 ( 0.625 2.603 1.326) 2.988 4.373 ( -0.415 1.447 -2.210) 2.674 4.534 ( -1.027 -4.066 2.199) 4.735 4.565 ( 0.245 -4.921 -0.339) 4.939 4.691 ( 0.741 0.374 0.802) 1.154 4.722 ( -0.665 -1.295 -1.693) 2.233 5.274 ( 0.660 0.358 1.263) 1.469 5.310 ( -0.467 -0.859 -2.287) 2.488 6.382 ( -0.166 0.367 0.319) 0.514 6.384 ( 0.212 0.307 0.127) 0.394 8.645 ( 0.825 0.618 1.408) 1.745 8.676 ( -0.516 -0.470 -1.627) 1.771 13.094 ( -1.910 -0.224 0.904) 2.125 13.105 ( 0.998 -0.702 -0.126) 1.226 13.276 ( 0.185 0.675 -0.067) 0.703 13.281 ( 0.655 0.493 -0.435) 0.928 13.666 ( -2.152 2.840 0.484) 3.596 13.687 ( 1.899 2.199 -1.436) 3.241 13.828 ( -1.784 -0.583 1.079) 2.164 13.848 ( 1.832 -0.961 -0.753) 2.201 14.037 ( -0.751 0.638 1.509) 1.802 14.060 ( 0.755 -0.453 -0.639) 1.089 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.286 4.620 -5.075) 6.869 1.103 ( 1.861 5.825 4.746) 7.740 1.120 ( 1.670 7.200 6.273) 9.694 1.197 ( 3.210 2.893 -10.112) 10.996 1.431 ( -0.450 -6.059 4.170) 7.369 1.461 ( 1.626 -8.368 -3.983) 9.409 1.736 ( -6.271 -2.062 1.594) 6.791 1.876 ( 2.795 -6.891 -1.181) 7.530 1.966 ( -2.377 -0.130 2.675) 3.581 2.002 ( -1.532 -0.983 1.855) 2.599 2.165 ( -2.606 4.644 0.064) 5.326 2.190 ( -0.103 6.031 0.427) 6.047 2.316 ( -1.015 -1.610 4.401) 4.795 2.418 ( 1.922 0.437 -4.624) 5.027 2.509 ( -5.119 -4.613 4.723) 8.354 2.528 ( -2.857 -4.564 -3.576) 6.464 2.599 ( 1.577 2.164 0.542) 2.732 2.653 ( -1.097 -0.660 -2.731) 3.016 2.766 ( -6.505 4.855 -0.589) 8.138 2.867 ( 1.130 1.838 0.341) 2.184 2.891 ( 6.106 0.507 1.269) 6.257 2.974 ( 0.484 2.319 -0.895) 2.532 3.060 ( -3.015 -1.257 0.181) 3.272 3.208 ( 0.730 -3.306 -1.348) 3.644 3.309 ( 2.187 0.891 1.328) 2.709 3.367 ( 6.402 1.683 -1.657) 6.824 3.417 ( -2.165 -4.020 0.621) 4.608 3.477 ( 2.272 -2.012 1.680) 3.469 3.549 ( 1.756 0.780 -1.792) 2.628 3.597 ( 5.401 -1.556 -2.179) 6.028 3.682 ( 0.464 2.520 -0.085) 2.564 3.738 ( 3.241 4.079 1.260) 5.360 3.823 ( -0.094 -2.631 -3.504) 4.383 3.846 ( 0.949 -0.787 3.271) 3.495 3.997 ( -1.031 2.850 -2.217) 3.756 4.064 ( 4.478 0.583 0.181) 4.520 4.073 ( -0.840 2.257 0.587) 2.479 4.165 ( 3.039 1.095 2.731) 4.229 4.333 ( -1.054 1.604 -1.246) 2.288 4.365 ( 0.894 1.528 1.039) 2.053 4.535 ( -1.505 -3.976 1.969) 4.685 4.556 ( -0.487 -4.995 -0.951) 5.108 4.682 ( -1.854 -0.041 -1.613) 2.458 4.704 ( -0.877 -0.686 1.567) 1.922 5.269 ( -1.277 0.542 -1.064) 1.749 5.304 ( 0.666 -0.947 0.845) 1.434 6.376 ( -0.760 0.473 0.025) 0.896 6.384 ( -0.238 0.164 -0.122) 0.314 8.639 ( -1.398 0.864 -1.140) 2.000 8.674 ( 0.576 -0.638 0.706) 1.112 13.091 ( 0.258 0.548 0.965) 1.139 13.133 ( 2.106 -1.507 0.334) 2.611 13.281 ( 1.392 1.060 -0.628) 1.859 13.304 ( 2.315 0.054 -0.620) 2.397 13.620 ( -4.153 3.038 0.988) 5.239 13.695 ( -0.077 1.140 -0.341) 1.193 13.797 ( -2.499 0.688 0.402) 2.623 13.870 ( 1.364 -1.575 -0.624) 2.175 14.034 ( -1.207 0.721 0.886) 1.662 14.058 ( 0.192 -0.344 -1.007) 1.082 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 2.371 9.184 -9.724) 13.584 1.103 ( 1.420 3.795 -6.263) 7.460 1.199 ( 2.338 5.330 5.472) 7.989 1.289 ( 3.405 3.783 6.209) 8.028 1.426 ( -1.060 -7.348 0.405) 7.435 1.491 ( 0.198 -6.996 3.935) 8.029 1.664 ( -3.999 -1.235 0.676) 4.240 1.895 ( 0.902 -7.147 -0.455) 7.218 1.927 ( -0.373 0.593 -3.176) 3.253 2.005 ( -3.706 -1.480 3.350) 5.210 2.134 ( -2.428 2.146 1.081) 3.416 2.201 ( 0.807 2.523 0.115) 2.651 2.279 ( -5.304 0.354 -0.595) 5.349 2.353 ( -4.194 -1.305 -1.621) 4.682 2.438 ( -1.366 -3.003 -4.453) 5.542 2.496 ( -2.870 -2.419 1.152) 3.927 2.593 ( 1.759 -0.037 -5.395) 5.675 2.644 ( 2.176 -1.162 0.313) 2.486 2.721 ( -2.402 5.450 3.609) 6.964 2.907 ( -0.160 2.931 2.332) 3.749 2.957 ( 0.601 2.265 1.585) 2.829 2.995 ( 0.749 4.856 -0.818) 4.981 3.063 ( 4.324 -1.345 2.160) 5.017 3.185 ( -0.010 -5.830 -0.669) 5.868 3.349 ( 1.590 -1.202 0.537) 2.064 3.365 ( -1.471 0.288 0.236) 1.517 3.462 ( 3.237 2.060 -1.880) 4.273 3.538 ( 0.204 0.278 -1.302) 1.347 3.570 ( 3.937 -0.380 2.595) 4.731 3.632 ( 3.613 -1.610 -2.113) 4.484 3.720 ( 4.468 -0.361 -1.058) 4.606 3.791 ( 0.402 -2.618 -1.580) 3.084 3.833 ( 5.574 2.504 0.197) 6.114 3.915 ( 3.816 0.292 2.701) 4.684 3.950 ( -1.078 4.445 -1.930) 4.965 4.088 ( 1.473 -0.310 0.137) 1.512 4.144 ( 4.557 1.568 -0.089) 4.821 4.230 ( 1.127 1.425 2.618) 3.187 4.304 ( -0.406 0.724 -1.385) 1.615 4.388 ( -0.312 0.499 1.664) 1.766 4.524 ( -0.594 -4.295 -1.338) 4.538 4.542 ( -1.081 -3.717 1.497) 4.150 4.635 ( -2.147 1.023 -0.765) 2.498 4.694 ( -2.445 -1.423 1.455) 3.181 5.242 ( -0.863 1.562 -0.588) 1.879 5.320 ( -0.026 -1.525 0.760) 1.704 6.360 ( -1.033 0.539 -0.151) 1.175 6.374 ( -0.585 -0.010 -0.391) 0.704 8.607 ( -1.058 1.684 -0.788) 2.139 8.683 ( -0.117 -1.381 0.224) 1.404 13.121 ( 1.675 0.771 1.376) 2.301 13.171 ( 1.500 -1.536 1.063) 2.395 13.309 ( 2.976 0.738 -0.699) 3.145 13.335 ( 2.598 -0.215 -0.882) 2.752 13.562 ( -4.587 3.391 1.437) 5.883 13.677 ( -2.395 -0.240 0.939) 2.584 13.761 ( -1.604 2.332 -1.035) 3.014 13.872 ( -0.253 -1.901 -0.998) 2.162 14.023 ( -0.665 0.627 0.185) 0.932 14.046 ( 0.012 -0.407 -1.177) 1.245 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 5.166 6.946 -0.382) 8.665 1.088 ( 4.825 1.972 -5.734) 7.749 1.265 ( -1.316 4.537 2.154) 5.192 1.349 ( 0.924 -1.224 3.746) 4.047 1.473 ( 2.431 -3.967 1.710) 4.957 1.510 ( -4.039 2.470 6.432) 7.987 1.621 ( -0.661 -4.973 -1.982) 5.394 1.850 ( -4.854 -5.941 -4.940) 9.125 1.888 ( -3.981 3.063 2.174) 5.473 1.984 ( -0.052 -1.185 -0.935) 1.510 2.097 ( 0.013 -0.141 -0.019) 0.143 2.202 ( -1.981 -1.442 0.176) 2.457 2.233 ( 1.116 0.932 0.055) 1.455 2.293 ( -3.039 -1.648 1.695) 3.850 2.375 ( -0.679 -1.479 -3.886) 4.213 2.449 ( -1.924 -1.191 -2.740) 3.553 2.576 ( 2.301 -0.775 -3.543) 4.295 2.669 ( -1.051 -0.710 0.903) 1.557 2.729 ( 0.500 2.557 1.394) 2.955 2.890 ( -0.351 -0.058 -3.583) 3.600 2.954 ( -2.126 5.407 0.807) 5.866 2.988 ( -2.492 4.535 0.042) 5.175 3.147 ( 4.801 -0.496 2.157) 5.286 3.286 ( 5.140 -1.319 7.929) 9.541 3.351 ( -0.696 0.527 0.473) 0.993 3.390 ( 2.627 -2.225 0.103) 3.444 3.454 ( 0.765 0.743 -2.201) 2.446 3.519 ( -0.241 -0.895 -2.084) 2.281 3.634 ( 1.832 0.615 2.626) 3.260 3.702 ( 3.309 -0.503 1.208) 3.559 3.775 ( 2.261 -0.346 -1.588) 2.784 3.793 ( 3.598 -4.253 -1.603) 5.797 3.887 ( 0.433 3.611 -2.651) 4.500 3.909 ( 0.807 2.141 -0.714) 2.397 4.043 ( 6.531 1.887 1.859) 7.048 4.113 ( 1.892 -0.027 -0.039) 1.893 4.187 ( 0.516 2.852 -0.086) 2.900 4.261 ( 0.113 0.070 1.831) 1.836 4.293 ( -0.443 0.400 0.093) 0.604 4.386 ( -0.775 -1.692 0.335) 1.891 4.508 ( 0.658 -2.319 -1.296) 2.737 4.544 ( -0.960 -3.317 1.513) 3.770 4.602 ( -1.413 0.990 0.103) 1.728 4.661 ( -3.107 -1.590 1.012) 3.634 5.231 ( -0.178 1.700 0.141) 1.715 5.318 ( -0.630 -1.614 -0.174) 1.741 6.343 ( -0.844 0.605 -0.109) 1.044 6.359 ( -0.606 -0.012 -0.543) 0.814 8.593 ( -0.198 1.889 0.161) 1.906 8.676 ( -0.467 -1.489 -0.550) 1.655 13.171 ( 2.015 0.534 2.191) 3.024 13.204 ( 0.687 -0.751 1.927) 2.179 13.353 ( 3.071 0.056 -0.692) 3.148 13.365 ( 2.287 -0.404 -0.887) 2.486 13.511 ( -3.925 3.884 2.113) 5.912 13.647 ( -2.928 -0.968 1.739) 3.540 13.720 ( -0.914 3.088 -2.956) 4.372 13.836 ( -1.857 -1.644 -2.339) 3.409 14.022 ( 0.412 0.158 -0.099) 0.452 14.035 ( 0.099 -0.511 -0.944) 1.078 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 5.830 1.133 2.146) 6.315 1.148 ( 5.541 -0.738 -0.585) 5.621 1.216 ( -3.901 6.937 2.717) 8.409 1.430 ( 2.761 -1.414 3.544) 4.710 1.462 ( -2.975 -1.565 -0.195) 3.367 1.545 ( -2.283 -0.674 2.743) 3.632 1.585 ( 2.055 -1.807 -4.206) 5.018 1.695 ( -4.591 -2.196 -5.391) 7.414 1.845 ( -4.520 5.145 4.463) 8.174 1.965 ( 0.820 -0.475 -4.069) 4.178 2.148 ( 2.002 -2.804 2.330) 4.159 2.175 ( -1.694 -2.639 1.315) 3.400 2.253 ( 1.386 2.237 -1.801) 3.189 2.276 ( -1.420 -2.667 1.749) 3.491 2.348 ( 0.592 -1.948 -1.247) 2.387 2.381 ( -1.247 -1.545 -3.235) 3.795 2.589 ( 1.399 0.224 -0.080) 1.419 2.636 ( -2.701 0.540 -0.236) 2.765 2.756 ( 0.881 0.497 0.490) 1.124 2.827 ( -1.152 0.951 -4.686) 4.918 2.924 ( -3.989 2.465 1.278) 4.860 2.956 ( 2.508 2.914 -2.187) 4.423 3.262 ( 4.348 1.531 3.450) 5.757 3.348 ( -0.403 0.209 0.906) 1.014 3.384 ( -2.421 2.991 0.125) 3.850 3.422 ( 1.827 -0.136 0.856) 2.022 3.476 ( 1.815 -0.027 3.464) 3.911 3.552 ( 5.102 -5.481 2.302) 7.834 3.679 ( -0.307 1.484 2.437) 2.870 3.733 ( 0.530 -0.677 -1.199) 1.476 3.773 ( 0.917 1.751 -2.578) 3.249 3.821 ( -0.970 -2.983 -2.498) 4.010 3.850 ( 1.561 0.836 -0.823) 1.952 3.904 ( 0.021 0.520 -2.549) 2.602 4.122 ( 1.685 3.081 0.529) 3.552 4.162 ( -0.540 0.417 0.726) 0.996 4.175 ( 1.850 3.129 1.007) 3.772 4.252 ( -2.008 -0.306 -0.632) 2.128 4.309 ( 0.548 0.137 3.035) 3.088 4.388 ( 0.979 -1.715 -1.228) 2.325 4.511 ( 1.340 -2.013 -0.691) 2.515 4.530 ( -2.694 -2.664 1.051) 3.932 4.601 ( 0.866 -0.183 0.360) 0.955 4.626 ( -2.335 -1.145 0.666) 2.685 5.240 ( 0.626 0.869 0.912) 1.406 5.297 ( -0.955 -1.276 -1.194) 1.991 6.333 ( -0.276 0.650 0.099) 0.713 6.345 ( -0.276 0.201 -0.576) 0.670 8.603 ( 0.599 1.374 1.047) 1.828 8.657 ( -0.604 -0.857 -1.227) 1.614 13.224 ( 0.779 -0.007 2.722) 2.831 13.237 ( 0.304 -0.384 2.485) 2.533 13.377 ( 1.506 -0.017 -2.161) 2.634 13.381 ( 1.002 0.095 -1.463) 1.776 13.500 ( -1.507 3.787 4.499) 6.071 13.634 ( -1.306 -1.042 2.531) 3.032 13.668 ( -0.402 2.806 -4.129) 5.008 13.772 ( -1.520 -1.268 -3.764) 4.253 14.026 ( 0.011 0.016 -0.117) 0.119 14.031 ( 0.521 -0.563 -0.598) 0.973 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -8.090 4.007 0.766) 9.060 1.158 ( 3.574 -0.723 -1.270) 3.861 1.332 ( -4.259 3.698 -5.013) 7.547 1.381 ( 7.493 -0.890 5.491) 9.333 1.455 ( -5.273 -4.620 1.339) 7.137 1.511 ( -1.176 -0.670 2.365) 2.725 1.631 ( 5.036 1.088 -4.861) 7.083 1.660 ( 7.367 1.352 -1.935) 7.735 1.838 ( -4.159 2.481 5.487) 7.319 1.950 ( 3.430 0.193 -3.110) 4.634 2.145 ( -3.825 -0.436 2.664) 4.682 2.171 ( -2.200 -2.773 1.373) 3.797 2.251 ( -0.091 -1.620 -1.975) 2.556 2.287 ( 1.354 -1.387 0.016) 1.938 2.340 ( 1.009 -0.864 -0.353) 1.374 2.372 ( 1.607 -2.478 -1.271) 3.215 2.567 ( -4.734 0.045 1.523) 4.974 2.627 ( 0.249 -1.939 1.469) 2.446 2.757 ( -0.288 4.464 -1.407) 4.689 2.794 ( 2.424 0.748 -0.963) 2.714 2.902 ( -1.457 2.325 2.682) 3.837 2.984 ( 4.527 0.572 -3.666) 5.853 3.314 ( -2.776 1.928 -1.385) 3.653 3.350 ( 0.924 0.202 0.030) 0.946 3.358 ( -1.031 1.818 3.655) 4.210 3.416 ( 1.097 0.012 -2.227) 2.483 3.569 ( 0.672 -0.979 4.198) 4.363 3.606 ( -0.102 -2.137 -4.925) 5.370 3.669 ( -3.815 1.185 0.781) 4.070 3.702 ( -0.518 -0.758 0.752) 1.187 3.754 ( -1.740 -0.065 1.125) 2.073 3.785 ( 0.068 -0.775 -1.264) 1.484 3.852 ( -1.235 0.170 -0.708) 1.434 3.894 ( 2.350 -0.372 -1.739) 2.947 4.106 ( -4.415 3.850 1.773) 6.120 4.165 ( 1.342 1.589 0.067) 2.081 4.194 ( -3.078 1.658 0.104) 3.497 4.234 ( 0.956 -0.444 0.637) 1.231 4.349 ( -0.242 -0.786 2.192) 2.341 4.371 ( 0.181 -0.548 -2.378) 2.447 4.496 ( -1.890 -1.604 0.692) 2.574 4.544 ( 2.509 -3.076 -0.223) 3.976 4.601 ( -0.982 -0.129 0.399) 1.068 4.631 ( 2.099 -1.260 0.238) 2.460 5.262 ( -0.530 -0.190 -0.311) 0.643 5.273 ( 1.116 -0.539 0.130) 1.246 6.335 ( 0.167 0.576 0.194) 0.631 6.340 ( 0.410 0.425 -0.382) 0.703 8.629 ( 0.243 0.390 0.391) 0.603 8.633 ( 0.123 0.253 -0.655) 0.713 13.246 ( -1.390 -0.567 1.945) 2.457 13.255 ( -1.026 -0.872 1.004) 1.680 13.362 ( -0.796 0.839 -1.517) 1.908 13.366 ( -0.067 0.598 -1.090) 1.245 13.554 ( 0.874 3.235 5.344) 6.308 13.611 ( 1.163 2.947 -5.576) 6.413 13.681 ( 1.250 -1.444 4.526) 4.912 13.717 ( 0.394 -1.046 -4.035) 4.187 14.023 ( -0.452 0.049 0.143) 0.477 14.032 ( 0.349 -0.445 -0.588) 0.816 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -7.583 4.982 2.058) 9.303 1.051 ( -8.080 5.858 -4.911) 11.122 1.318 ( 4.790 4.652 -2.595) 7.164 1.397 ( -1.735 -4.522 -1.025) 4.951 1.488 ( -2.058 -2.174 1.415) 3.311 1.543 ( 4.036 -0.156 3.010) 5.037 1.653 ( 2.966 2.793 -4.342) 5.954 1.785 ( 6.562 -1.882 0.006) 6.826 1.861 ( 2.124 -0.242 4.432) 4.920 1.982 ( 2.842 -1.126 -1.852) 3.575 2.109 ( -3.667 -2.108 1.391) 4.452 2.161 ( -0.782 -1.403 3.843) 4.165 2.245 ( -0.059 1.507 -2.531) 2.946 2.264 ( -0.878 0.228 2.620) 2.772 2.364 ( -0.309 -3.575 -0.279) 3.599 2.414 ( 5.984 -1.931 -0.813) 6.340 2.517 ( -2.962 -1.766 1.529) 3.773 2.634 ( -3.374 -3.703 3.875) 6.333 2.756 ( 1.981 5.958 -1.283) 6.408 2.853 ( 4.103 2.184 1.221) 4.805 2.932 ( 1.818 3.720 1.944) 4.574 3.018 ( 4.612 -0.417 -3.065) 5.553 3.217 ( -5.098 2.736 -3.936) 6.998 3.338 ( -2.775 0.256 1.901) 3.373 3.388 ( -0.431 -0.097 0.470) 0.644 3.422 ( 1.103 0.840 -0.484) 1.468 3.467 ( -6.230 -3.658 -7.101) 10.131 3.527 ( -1.135 -1.295 -4.008) 4.362 3.676 ( -1.950 -0.550 1.681) 2.633 3.707 ( -1.215 -0.099 2.966) 3.206 3.729 ( -2.107 0.957 0.256) 2.328 3.766 ( -3.394 -3.209 0.838) 4.745 3.837 ( -0.154 2.313 0.506) 2.372 3.908 ( 0.672 1.358 -0.583) 1.624 4.042 ( -6.082 4.045 1.422) 7.442 4.124 ( -3.677 -0.244 -0.721) 3.755 4.186 ( -0.356 1.582 -0.019) 1.621 4.240 ( -2.124 -0.457 2.195) 3.088 4.331 ( -0.412 -0.791 -1.210) 1.504 4.386 ( 2.205 -0.654 -0.126) 2.303 4.489 ( -0.554 -0.735 0.558) 1.076 4.552 ( -1.159 -1.922 0.511) 2.302 4.619 ( 2.852 -0.607 -0.909) 3.054 4.672 ( 2.829 -1.955 0.024) 3.439 5.242 ( -0.263 0.950 -0.903) 1.337 5.310 ( 1.854 -1.342 0.646) 2.378 6.342 ( 0.635 0.564 0.005) 0.850 6.350 ( 0.749 0.301 0.193) 0.830 8.607 ( -0.378 1.394 -1.183) 1.867 8.661 ( 1.166 -0.677 0.897) 1.619 13.211 ( -3.024 -0.424 -1.042) 3.227 13.233 ( -2.329 -1.667 0.076) 2.865 13.335 ( -1.788 0.950 0.058) 2.026 13.351 ( -1.503 0.218 0.200) 1.532 13.585 ( 3.235 3.544 -4.716) 6.728 13.632 ( 1.659 3.327 4.235) 5.635 13.702 ( 2.342 -0.803 -2.569) 3.568 13.765 ( 2.528 -1.840 4.227) 5.258 14.016 ( -0.677 0.154 0.404) 0.803 14.031 ( 0.325 -0.381 -0.519) 0.721 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -6.368 10.789 0.144) 12.529 0.948 ( -4.367 9.223 5.393) 11.542 1.326 ( 2.142 3.853 -6.413) 7.782 1.382 ( 0.614 -7.155 0.128) 7.182 1.440 ( -3.711 -0.088 -1.759) 4.108 1.595 ( -3.328 -0.645 0.143) 3.393 1.659 ( 6.358 2.024 -2.467) 7.114 1.823 ( -0.266 -3.445 0.657) 3.517 1.945 ( 2.050 -2.434 -1.247) 3.418 2.025 ( 2.118 -2.665 1.690) 3.801 2.096 ( 0.894 -0.506 3.330) 3.485 2.201 ( 0.849 0.360 0.090) 0.926 2.258 ( 3.705 -0.396 2.213) 4.334 2.294 ( -0.875 -0.639 4.265) 4.401 2.382 ( 2.325 -1.341 1.227) 2.951 2.473 ( 2.448 2.259 0.040) 3.331 2.543 ( 4.459 -4.919 0.822) 6.690 2.607 ( -4.147 -3.288 2.658) 5.922 2.777 ( 1.973 6.061 -1.308) 6.507 2.932 ( 4.663 2.070 -0.460) 5.122 2.986 ( 2.551 4.819 0.466) 5.473 3.040 ( -0.784 3.069 -5.304) 6.178 3.107 ( -0.489 -1.639 -0.562) 1.801 3.221 ( -9.657 -5.460 -3.719) 11.701 3.358 ( -0.496 -0.153 -1.154) 1.265 3.366 ( -0.894 1.277 -1.076) 1.894 3.439 ( -0.914 -0.629 0.858) 1.403 3.509 ( 0.488 -0.227 0.532) 0.757 3.613 ( -4.394 -1.366 -1.031) 4.715 3.653 ( -4.285 -1.359 -3.067) 5.442 3.705 ( -3.727 -0.521 0.400) 3.784 3.742 ( -1.152 -1.271 2.731) 3.226 3.834 ( -2.706 2.994 1.107) 4.184 3.910 ( 0.664 2.257 0.251) 2.367 3.951 ( -5.088 2.551 0.136) 5.693 4.076 ( -2.186 0.521 0.673) 2.346 4.144 ( -4.365 0.176 -0.063) 4.369 4.228 ( -2.643 -1.050 2.572) 3.834 4.323 ( 1.259 1.745 -2.524) 3.317 4.417 ( 1.186 0.171 -0.593) 1.337 4.486 ( -0.318 -2.285 1.411) 2.704 4.547 ( -0.413 -2.294 1.118) 2.585 4.648 ( 2.526 -0.007 -1.644) 3.014 4.715 ( 2.521 -2.224 -0.426) 3.389 5.238 ( 0.442 1.814 -0.181) 1.876 5.337 ( 1.509 -1.805 -0.807) 2.487 6.356 ( 0.919 0.489 0.210) 1.062 6.365 ( 0.630 0.155 0.399) 0.762 8.598 ( 0.324 1.952 -0.087) 1.980 8.685 ( 1.105 -1.369 0.060) 1.760 13.149 ( -2.689 -0.072 -1.168) 2.932 13.187 ( -3.299 -2.226 -0.040) 3.980 13.302 ( -2.088 0.964 -0.137) 2.303 13.323 ( -2.120 0.052 0.215) 2.131 13.606 ( 4.440 3.591 -3.046) 6.472 13.686 ( 1.135 2.633 0.900) 3.005 13.737 ( 3.313 0.075 0.580) 3.364 13.836 ( 1.205 -1.845 2.475) 3.314 14.014 ( -0.344 0.317 0.989) 1.094 14.035 ( 0.781 -0.394 -0.299) 0.924 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -2.567 12.287 7.540) 14.643 0.985 ( -1.964 8.777 8.790) 12.576 1.282 ( 3.371 3.157 -8.936) 10.058 1.339 ( -1.353 1.412 -9.049) 9.258 1.380 ( -4.454 -5.661 4.308) 8.393 1.529 ( 0.282 -6.101 -4.302) 7.470 1.744 ( 3.470 -0.398 2.317) 4.191 1.821 ( -0.516 -4.854 0.556) 4.913 1.943 ( -0.405 -0.969 -0.191) 1.067 2.060 ( 0.626 -0.876 2.334) 2.570 2.128 ( -1.996 0.234 1.941) 2.794 2.222 ( 1.688 4.654 -0.617) 4.989 2.307 ( -3.957 0.937 3.970) 5.683 2.359 ( 4.588 -2.060 1.713) 5.313 2.452 ( 4.732 1.033 0.821) 4.912 2.558 ( 3.345 -3.741 4.485) 6.730 2.574 ( -1.804 -2.789 1.593) 3.684 2.629 ( 8.366 -0.820 -3.906) 9.269 2.787 ( 0.815 3.747 -0.827) 3.922 2.907 ( -2.246 2.143 -4.188) 5.213 2.961 ( -5.786 0.020 -4.034) 7.054 3.004 ( -0.782 0.278 -3.821) 3.910 3.061 ( 4.891 2.209 -0.072) 5.367 3.193 ( 2.473 -4.243 1.413) 5.111 3.323 ( -5.038 2.937 1.229) 5.959 3.349 ( -1.912 0.466 -0.888) 2.160 3.399 ( -2.155 -2.321 0.547) 3.214 3.512 ( -0.838 0.017 -1.380) 1.614 3.546 ( -3.979 -3.995 2.277) 6.081 3.573 ( -0.494 -1.162 -3.216) 3.455 3.667 ( -1.181 2.156 0.682) 2.551 3.735 ( -3.304 1.599 2.530) 4.458 3.788 ( -0.987 0.144 -0.797) 1.277 3.894 ( -1.354 -0.218 -1.151) 1.790 3.951 ( 1.562 3.533 2.162) 4.427 4.062 ( -1.708 -2.063 1.235) 2.950 4.072 ( -3.119 3.519 -0.095) 4.703 4.197 ( -3.921 -0.718 0.714) 4.049 4.315 ( 0.933 3.071 -1.228) 3.436 4.403 ( -0.531 1.396 -1.756) 2.305 4.514 ( 0.271 -3.937 2.449) 4.644 4.558 ( 0.285 -3.847 0.713) 3.923 4.669 ( 1.848 0.783 -0.789) 2.157 4.736 ( 1.044 -2.085 -1.170) 2.609 5.250 ( 0.854 1.533 0.566) 1.844 5.337 ( 0.434 -1.662 -2.073) 2.692 6.372 ( 0.736 0.422 0.276) 0.893 6.377 ( 0.295 0.180 0.472) 0.585 8.615 ( 0.987 1.577 0.994) 2.109 8.693 ( 0.413 -1.329 -0.994) 1.710 13.109 ( -1.053 -0.143 -0.587) 1.214 13.132 ( -3.612 -1.547 0.540) 3.966 13.276 ( -0.609 1.015 -0.250) 1.210 13.295 ( -1.538 0.246 0.143) 1.564 13.648 ( 3.750 3.091 -1.740) 5.161 13.695 ( -0.256 2.408 -0.298) 2.440 13.798 ( 2.921 -0.283 0.695) 3.016 13.854 ( -0.854 -1.207 0.713) 1.641 14.026 ( -0.211 0.468 1.680) 1.756 14.048 ( 1.208 -0.481 -0.332) 1.342 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.032 -6.987 2.491) 7.418 1.067 ( -0.032 6.987 2.491) 7.418 1.266 ( 0.382 -5.600 -0.837) 5.675 1.266 ( 0.382 5.600 -0.837) 5.675 1.355 ( 1.493 -2.007 -5.205) 5.775 1.355 ( 1.493 2.007 -5.205) 5.775 1.751 ( -0.389 -1.320 0.566) 1.488 1.751 ( -0.389 1.320 0.566) 1.488 1.973 ( -0.886 -1.869 1.364) 2.478 1.973 ( -0.886 1.869 1.364) 2.478 2.299 ( -1.429 -3.132 4.522) 5.683 2.299 ( -1.429 3.132 4.522) 5.683 2.351 ( -0.483 -5.221 -0.809) 5.305 2.351 ( -0.483 5.221 -0.809) 5.305 2.459 ( -2.896 -2.865 2.577) 4.820 2.459 ( -2.896 2.865 2.577) 4.820 2.642 ( 4.116 -3.527 -3.429) 6.414 2.642 ( 4.116 3.527 -3.429) 6.414 2.824 ( 0.805 -0.861 -0.207) 1.197 2.824 ( 0.805 0.861 -0.207) 1.197 3.001 ( 0.874 -2.198 -1.442) 2.770 3.001 ( 0.874 2.198 -1.442) 2.770 3.122 ( -1.697 -3.122 -1.758) 3.965 3.122 ( -1.697 3.122 -1.758) 3.965 3.280 ( 0.951 -2.096 -1.421) 2.705 3.280 ( 0.951 2.096 -1.421) 2.705 3.413 ( -1.942 -1.419 2.771) 3.670 3.413 ( -1.942 1.419 2.771) 3.670 3.541 ( 2.177 -0.776 -1.403) 2.704 3.541 ( 2.177 0.776 -1.403) 2.704 3.743 ( 0.474 -1.498 2.580) 3.020 3.743 ( 0.474 1.498 2.580) 3.020 3.807 ( -0.950 -2.847 -1.621) 3.411 3.807 ( -0.950 2.847 -1.621) 3.411 4.029 ( 1.094 -0.660 0.245) 1.301 4.029 ( 1.094 0.660 0.245) 1.301 4.129 ( -1.501 -1.147 1.280) 2.281 4.129 ( -1.501 1.147 1.280) 2.281 4.424 ( 0.290 -4.384 0.336) 4.406 4.424 ( 0.290 4.384 0.336) 4.406 4.451 ( -0.288 -4.204 -0.958) 4.321 4.451 ( -0.288 4.204 -0.958) 4.321 4.700 ( -0.107 -0.663 -0.171) 0.693 4.700 ( -0.107 0.663 -0.171) 0.693 5.289 ( 0.032 -0.949 -0.502) 1.074 5.289 ( 0.032 0.949 -0.502) 1.074 6.387 ( 0.044 -0.065 0.214) 0.228 6.387 ( 0.044 0.065 0.214) 0.228 8.661 ( 0.132 -0.810 -0.042) 0.822 8.661 ( 0.132 0.810 -0.042) 0.822 13.095 ( -0.396 -0.267 0.463) 0.666 13.095 ( -0.396 0.267 0.463) 0.666 13.285 ( 0.447 -0.110 -0.346) 0.576 13.285 ( 0.447 0.110 -0.346) 0.576 13.710 ( -0.485 -0.673 -0.504) 0.971 13.710 ( -0.485 0.673 -0.504) 0.971 13.824 ( 0.241 -0.712 0.193) 0.776 13.824 ( 0.241 0.712 0.193) 0.776 14.052 ( 0.100 -0.495 0.428) 0.662 14.052 ( 0.100 0.495 0.428) 0.662 ======================= Grid point 155 (85/92) ======================= q-point: ( 0.11 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 4.057 -3.877 -0.409) 5.626 1.117 ( 4.057 3.877 -0.409) 5.626 1.283 ( 2.068 -6.888 0.265) 7.197 1.283 ( 2.068 6.888 0.265) 7.197 1.306 ( -1.919 -5.317 -2.415) 6.147 1.306 ( -1.919 5.317 -2.415) 6.147 1.742 ( -1.074 -3.717 0.670) 3.927 1.742 ( -1.074 3.717 0.670) 3.927 1.974 ( -1.399 -1.194 1.527) 2.390 1.974 ( -1.399 1.194 1.527) 2.390 2.257 ( -5.939 -2.311 1.780) 6.617 2.257 ( -5.939 2.311 1.780) 6.617 2.357 ( 0.328 -5.114 0.402) 5.141 2.357 ( 0.328 5.114 0.402) 5.141 2.453 ( -2.199 -0.352 1.763) 2.840 2.453 ( -2.199 0.352 1.763) 2.840 2.637 ( 0.600 -1.455 -3.079) 3.458 2.637 ( 0.600 1.455 -3.079) 3.458 2.865 ( 3.064 -3.276 -1.204) 4.644 2.865 ( 3.064 3.276 -1.204) 4.644 2.935 ( -2.069 -3.998 0.182) 4.505 2.935 ( -2.069 3.998 0.182) 4.505 3.119 ( -0.261 -4.561 -0.343) 4.581 3.119 ( -0.261 4.561 -0.343) 4.581 3.336 ( 3.271 -2.164 0.433) 3.946 3.336 ( 3.271 2.164 0.433) 3.946 3.417 ( 2.103 -2.440 1.886) 3.733 3.417 ( 2.103 2.440 1.886) 3.733 3.573 ( 3.720 -1.136 -3.215) 5.046 3.573 ( 3.720 1.136 -3.215) 5.046 3.750 ( -0.514 -3.443 -1.028) 3.630 3.750 ( -0.514 3.443 -1.028) 3.630 3.816 ( 2.281 -2.232 1.874) 3.701 3.816 ( 2.281 2.232 1.874) 3.701 4.032 ( 0.013 -1.128 -0.958) 1.480 4.032 ( 0.013 1.128 -0.958) 1.480 4.156 ( 2.395 -2.249 1.619) 3.662 4.156 ( 2.395 2.249 1.619) 3.662 4.412 ( -1.789 -2.914 -0.176) 3.424 4.412 ( -1.789 2.914 -0.176) 3.424 4.451 ( 0.765 -2.071 0.167) 2.214 4.451 ( 0.765 2.071 0.167) 2.214 4.688 ( -1.374 -0.589 0.186) 1.507 4.688 ( -1.374 0.589 0.186) 1.507 5.284 ( -0.220 -0.841 -0.020) 0.869 5.284 ( -0.220 0.841 -0.020) 0.869 6.383 ( -0.517 -0.218 -0.080) 0.566 6.383 ( -0.517 0.218 -0.080) 0.566 8.657 ( -0.396 -0.830 -0.194) 0.940 8.657 ( -0.396 0.830 -0.194) 0.940 13.107 ( 1.183 -0.930 0.562) 1.606 13.107 ( 1.183 0.930 0.562) 1.606 13.298 ( 1.833 -0.533 -0.656) 2.018 13.298 ( 1.833 0.533 -0.656) 2.018 13.681 ( -3.024 -2.233 0.695) 3.823 13.681 ( -3.024 2.233 0.695) 3.823 13.828 ( 0.236 -2.037 -0.292) 2.071 13.828 ( 0.236 2.037 -0.292) 2.071 14.050 ( -0.428 -0.535 -0.184) 0.709 14.050 ( -0.428 0.535 -0.184) 0.709 ======================= Grid point 157 (86/92) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.096 -5.726 -6.666) 8.788 1.113 ( 0.096 5.726 -6.666) 8.788 1.292 ( 1.601 -2.681 1.988) 3.702 1.292 ( 1.601 2.681 1.988) 3.702 1.354 ( 1.981 -2.651 5.553) 6.464 1.354 ( 1.981 2.651 5.553) 6.464 1.738 ( -0.444 -6.671 -0.104) 6.687 1.738 ( -0.444 6.671 -0.104) 6.687 1.955 ( -2.402 -2.194 1.188) 3.464 1.955 ( -2.402 2.194 1.188) 3.464 2.187 ( -4.454 -2.551 0.713) 5.182 2.187 ( -4.454 2.551 0.713) 5.182 2.324 ( -2.403 -2.255 -3.347) 4.697 2.324 ( -2.403 2.255 -3.347) 4.697 2.428 ( -2.296 -2.116 1.470) 3.451 2.428 ( -2.296 2.116 1.470) 3.451 2.613 ( 1.094 -1.261 -2.968) 3.405 2.613 ( 1.094 1.261 -2.968) 3.405 2.864 ( -2.063 -6.059 1.608) 6.599 2.864 ( -2.063 6.059 1.608) 6.599 3.022 ( 7.972 -3.252 2.377) 8.932 3.022 ( 7.972 3.252 2.377) 8.932 3.085 ( -1.775 -3.338 -1.527) 4.078 3.085 ( -1.775 3.338 -1.527) 4.078 3.345 ( -1.164 -0.908 1.313) 1.976 3.345 ( -1.164 0.908 1.313) 1.976 3.527 ( 4.047 -2.527 0.237) 4.777 3.527 ( 4.047 2.527 0.237) 4.777 3.569 ( 3.121 -2.727 -2.447) 4.813 3.569 ( 3.121 2.727 -2.447) 4.813 3.745 ( 1.978 -2.311 -1.871) 3.571 3.745 ( 1.978 2.311 -1.871) 3.571 3.892 ( 3.545 -2.401 1.956) 4.707 3.892 ( 3.545 2.401 1.956) 4.707 4.028 ( 0.874 -3.396 -0.036) 3.507 4.028 ( 0.874 3.396 -0.036) 3.507 4.215 ( 3.244 -2.775 0.099) 4.270 4.215 ( 3.244 2.775 0.099) 4.270 4.374 ( -2.801 -3.871 0.237) 4.785 4.374 ( -2.801 3.871 0.237) 4.785 4.469 ( 0.897 -1.728 0.533) 2.019 4.469 ( 0.897 1.728 0.533) 2.019 4.662 ( -2.277 -1.406 0.423) 2.709 4.662 ( -2.277 1.406 0.423) 2.709 5.280 ( -0.355 -1.927 0.146) 1.965 5.280 ( -0.355 1.927 0.146) 1.965 6.370 ( -0.825 -0.362 -0.278) 0.943 6.370 ( -0.825 0.362 -0.278) 0.943 8.646 ( -0.586 -1.869 -0.236) 1.973 8.646 ( -0.586 1.869 -0.236) 1.973 13.141 ( 1.899 -1.157 0.973) 2.426 13.141 ( 1.899 1.157 0.973) 2.426 13.326 ( 2.527 -0.650 -0.796) 2.728 13.326 ( 2.527 0.650 -0.796) 2.728 13.636 ( -3.958 -3.092 1.575) 5.264 13.636 ( -3.958 3.092 1.575) 5.264 13.820 ( -0.396 -2.765 -1.144) 3.018 13.820 ( -0.396 2.765 -1.144) 3.018 14.037 ( -0.445 -0.559 -0.604) 0.935 14.037 ( -0.445 0.559 -0.604) 0.935 ======================= Grid point 159 (87/92) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.558 -4.853 -2.162) 5.342 1.057 ( 0.558 4.853 -2.162) 5.342 1.352 ( 2.553 -0.737 1.679) 3.143 1.352 ( 2.553 0.737 1.679) 3.143 1.435 ( -0.320 -4.250 5.079) 6.631 1.435 ( -0.320 4.250 5.079) 6.631 1.695 ( -3.333 -7.622 -2.016) 8.559 1.695 ( -3.333 7.622 -2.016) 8.559 1.949 ( 0.570 -2.351 0.205) 2.428 1.949 ( 0.570 2.351 0.205) 2.428 2.128 ( -3.523 -3.617 0.467) 5.071 2.128 ( -3.523 3.617 0.467) 5.071 2.274 ( 0.643 -2.026 -1.051) 2.372 2.274 ( 0.643 2.026 -1.051) 2.372 2.387 ( -2.900 -2.851 -2.080) 4.568 2.387 ( -2.900 2.851 -2.080) 4.568 2.616 ( 1.750 -2.878 -1.245) 3.591 2.616 ( 1.750 2.878 -1.245) 3.591 2.836 ( -2.121 -4.886 -0.167) 5.329 2.836 ( -2.121 4.886 -0.167) 5.329 3.021 ( -2.501 -0.921 -2.063) 3.371 3.021 ( -2.501 0.921 -2.063) 3.371 3.211 ( 7.922 -5.209 5.455) 10.938 3.211 ( 7.922 5.209 5.455) 10.938 3.350 ( 0.451 -0.976 1.032) 1.490 3.350 ( 0.451 0.976 1.032) 1.490 3.496 ( -0.648 -1.785 -3.115) 3.648 3.496 ( -0.648 1.785 -3.115) 3.648 3.665 ( 3.849 -2.341 2.584) 5.194 3.665 ( 3.849 2.341 2.584) 5.194 3.760 ( 2.325 -1.117 -2.017) 3.274 3.760 ( 2.325 1.117 -2.017) 3.274 3.928 ( 0.403 -0.555 -1.498) 1.647 3.928 ( 0.403 0.555 -1.498) 1.647 4.080 ( 3.661 -2.452 2.142) 4.899 4.080 ( 3.661 2.452 2.142) 4.899 4.252 ( 1.853 -2.257 -1.002) 3.087 4.252 ( 1.853 2.257 -1.002) 3.087 4.335 ( -2.256 -3.103 0.738) 3.907 4.335 ( -2.256 3.103 0.738) 3.907 4.488 ( 0.504 -1.151 0.596) 1.390 4.488 ( 0.504 1.151 0.596) 1.390 4.628 ( -2.337 -1.377 0.429) 2.746 4.628 ( -2.337 1.377 0.429) 2.746 5.274 ( -0.432 -2.192 -0.128) 2.238 5.274 ( -0.432 2.192 -0.128) 2.238 6.354 ( -0.697 -0.416 -0.264) 0.854 6.354 ( -0.697 0.416 -0.264) 0.854 8.636 ( -0.351 -2.040 -0.100) 2.072 8.636 ( -0.351 2.040 -0.100) 2.072 13.186 ( 1.704 -0.820 1.722) 2.558 13.186 ( 1.704 0.820 1.722) 2.558 13.358 ( 2.455 -0.357 -0.714) 2.582 13.358 ( 2.455 0.357 -0.714) 2.582 13.595 ( -3.566 -3.498 2.156) 5.441 13.595 ( -3.566 3.498 2.156) 5.441 13.786 ( -1.081 -2.817 -2.786) 4.107 13.786 ( -1.081 2.817 -2.786) 4.107 14.028 ( 0.027 -0.310 -0.474) 0.567 14.028 ( 0.027 0.310 -0.474) 0.567 ======================= Grid point 161 (88/92) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 3.801 -3.093 1.575) 5.147 1.095 ( 3.801 3.093 1.575) 5.147 1.368 ( -3.499 -5.915 0.274) 6.878 1.368 ( -3.499 5.915 0.274) 6.878 1.455 ( -0.327 -2.798 2.008) 3.460 1.455 ( -0.327 2.798 2.008) 3.460 1.643 ( 0.758 -3.294 -1.815) 3.836 1.643 ( 0.758 3.294 -1.815) 3.836 1.945 ( -0.903 -2.608 -1.004) 2.937 1.945 ( -0.903 2.608 -1.004) 2.937 2.112 ( -0.485 -1.545 3.052) 3.455 2.112 ( -0.485 1.545 3.052) 3.455 2.285 ( -2.412 -2.498 -2.016) 4.015 2.285 ( -2.412 2.498 -2.016) 4.015 2.326 ( 1.974 -2.936 -1.151) 3.720 2.326 ( 1.974 2.936 -1.151) 3.720 2.618 ( -0.848 -1.720 -0.402) 1.959 2.618 ( -0.848 1.720 -0.402) 1.959 2.811 ( -0.187 -3.127 -0.189) 3.138 2.811 ( -0.187 3.127 -0.190) 3.138 2.962 ( -1.150 -1.758 -2.675) 3.401 2.962 ( -1.150 1.758 -2.675) 3.401 3.328 ( 0.889 -2.772 1.701) 3.372 3.328 ( 0.889 2.772 1.701) 3.372 3.416 ( 3.714 -3.105 2.819) 5.603 3.416 ( 3.714 3.105 2.819) 5.603 3.472 ( 0.607 -2.976 0.789) 3.138 3.472 ( 0.607 2.976 0.789) 3.138 3.721 ( 0.643 -1.944 0.289) 2.068 3.721 ( 0.643 1.944 0.289) 2.068 3.773 ( 1.661 -1.407 -1.151) 2.462 3.773 ( 1.661 1.407 -1.151) 2.462 3.892 ( -1.359 -1.579 -2.545) 3.289 3.892 ( -1.359 1.579 -2.545) 3.289 4.149 ( 1.404 -0.181 1.754) 2.254 4.149 ( 1.404 0.181 1.754) 2.254 4.249 ( -1.084 -1.285 0.064) 1.683 4.249 ( -1.084 1.285 0.064) 1.683 4.338 ( 1.492 -2.510 0.324) 2.938 4.338 ( 1.492 2.510 0.324) 2.938 4.489 ( -0.705 -0.533 -0.001) 0.884 4.489 ( -0.705 0.533 -0.001) 0.884 4.606 ( -0.889 -0.612 0.494) 1.186 4.606 ( -0.889 0.612 0.494) 1.186 5.266 ( -0.252 -1.435 -0.331) 1.494 5.266 ( -0.252 1.435 -0.331) 1.494 6.344 ( -0.235 -0.305 -0.162) 0.418 6.344 ( -0.235 0.305 -0.162) 0.418 8.633 ( -0.010 -1.313 -0.005) 1.313 8.633 ( -0.010 1.313 -0.005) 1.313 13.228 ( 0.618 -0.348 2.213) 2.324 13.228 ( 0.618 0.348 2.213) 2.324 13.380 ( 1.375 -0.196 -1.339) 1.930 13.380 ( 1.375 0.196 -1.339) 1.930 13.581 ( -1.680 -3.430 3.621) 5.263 13.581 ( -1.680 3.430 3.621) 5.263 13.730 ( -0.780 -2.544 -4.360) 5.107 13.730 ( -0.780 2.544 -4.360) 5.107 14.026 ( 0.199 -0.024 -0.225) 0.302 14.026 ( 0.199 0.024 -0.225) 0.302 ======================= Grid point 163 (89/92) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -2.153 -2.778 -1.499) 3.821 1.132 ( -2.153 2.778 -1.499) 3.821 1.343 ( 2.424 -0.638 2.320) 3.416 1.343 ( 2.424 0.638 2.320) 3.416 1.460 ( -1.649 -3.228 0.843) 3.722 1.460 ( -1.649 3.228 0.843) 3.722 1.669 ( 5.278 -1.218 -3.221) 6.302 1.669 ( 5.278 1.218 -3.221) 6.302 1.916 ( -2.300 -3.637 1.309) 4.498 1.916 ( -2.300 3.637 1.309) 4.498 2.147 ( -2.262 -0.415 2.997) 3.778 2.147 ( -2.262 0.415 2.997) 3.778 2.235 ( 3.340 -1.331 -2.229) 4.230 2.235 ( 3.340 1.331 -2.229) 4.230 2.342 ( -1.000 -0.585 -0.604) 1.307 2.342 ( -1.000 0.585 -0.604) 1.307 2.584 ( -3.507 -1.470 1.518) 4.094 2.584 ( -3.507 1.470 1.518) 4.094 2.833 ( 3.046 -1.084 -0.224) 3.241 2.833 ( 3.046 1.084 -0.224) 3.241 2.936 ( 0.785 -3.418 -1.351) 3.758 2.936 ( 0.785 3.418 -1.351) 3.758 3.338 ( -0.609 -0.836 0.325) 1.084 3.338 ( -0.609 0.836 0.325) 1.084 3.428 ( -0.944 -2.143 -0.471) 2.389 3.428 ( -0.944 2.143 -0.471) 2.389 3.530 ( 0.780 -1.782 0.010) 1.946 3.530 ( 0.780 1.782 0.010) 1.946 3.694 ( -2.766 -0.686 0.426) 2.882 3.694 ( -2.766 0.686 0.426) 2.882 3.772 ( -1.179 -0.829 -0.448) 1.509 3.772 ( -1.179 0.829 -0.448) 1.509 3.872 ( 1.601 -1.490 -0.765) 2.316 3.872 ( 1.601 1.490 -0.765) 2.316 4.158 ( -2.081 -0.867 1.107) 2.511 4.158 ( -2.081 0.867 1.107) 2.511 4.234 ( -1.547 -1.164 0.947) 2.155 4.234 ( -1.547 1.164 0.947) 2.155 4.353 ( 0.234 -1.116 -0.730) 1.354 4.353 ( 0.234 1.116 -0.730) 1.354 4.489 ( 1.075 -1.423 -0.006) 1.784 4.489 ( 1.075 1.423 -0.006) 1.784 4.608 ( 0.541 -0.750 0.332) 0.983 4.608 ( 0.541 0.750 0.332) 0.983 5.263 ( 0.308 -0.292 -0.114) 0.439 5.263 ( 0.308 0.292 -0.114) 0.439 6.343 ( 0.287 -0.136 -0.089) 0.330 6.343 ( 0.287 0.136 -0.089) 0.330 8.634 ( 0.199 -0.100 -0.106) 0.246 8.634 ( 0.199 0.100 -0.106) 0.246 13.243 ( -1.449 -0.215 1.295) 1.955 13.243 ( -1.449 0.215 1.295) 1.955 13.372 ( -0.283 -0.068 -1.207) 1.241 13.372 ( -0.283 0.068 -1.207) 1.241 13.625 ( 1.100 -2.900 4.487) 5.455 13.625 ( 1.100 2.900 4.487) 5.455 13.678 ( 0.747 -2.351 -4.352) 5.002 13.678 ( 0.747 2.351 -4.352) 5.002 14.026 ( -0.003 -0.209 -0.179) 0.275 14.026 ( -0.003 0.209 -0.179) 0.275 ======================= Grid point 165 (90/92) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -3.199 -4.852 -1.512) 6.005 1.053 ( -3.199 4.852 -1.512) 6.005 1.384 ( -2.440 -3.443 -0.257) 4.228 1.384 ( -2.440 3.443 -0.257) 4.228 1.477 ( 3.970 -6.817 0.231) 7.892 1.477 ( 3.970 6.817 0.231) 7.892 1.722 ( 6.057 -3.778 -4.164) 8.265 1.722 ( 6.057 3.778 -4.164) 8.265 1.909 ( -1.600 -4.167 3.080) 5.423 1.909 ( -1.600 4.167 3.080) 5.423 2.122 ( -1.309 -2.731 1.463) 3.363 2.122 ( -1.309 2.731 1.463) 3.363 2.283 ( -2.737 -2.980 -1.159) 4.209 2.283 ( -2.737 2.980 -1.159) 4.209 2.334 ( 5.690 -4.118 1.958) 7.292 2.334 ( 5.690 4.118 1.958) 7.292 2.551 ( -3.923 -3.296 3.221) 6.052 2.551 ( -3.923 3.296 3.221) 6.052 2.886 ( 5.140 -2.657 -3.153) 6.590 2.886 ( 5.140 2.657 -3.153) 6.590 2.964 ( 1.910 -1.881 2.740) 3.833 2.964 ( 1.910 1.881 2.740) 3.833 3.303 ( -4.715 -4.007 -2.233) 6.578 3.303 ( -4.715 4.007 -2.233) 6.578 3.381 ( -2.506 -1.218 -1.802) 3.318 3.381 ( -2.506 1.218 -1.802) 3.318 3.488 ( -0.417 -3.227 -2.886) 4.349 3.488 ( -0.417 3.227 -2.886) 4.349 3.682 ( -2.921 -1.676 3.098) 4.575 3.682 ( -2.921 1.676 3.098) 4.575 3.733 ( -2.104 -0.240 -1.061) 2.369 3.733 ( -2.104 0.240 -1.061) 2.369 3.897 ( 0.692 -2.210 0.888) 2.480 3.897 ( 0.692 2.210 0.888) 2.480 4.108 ( -4.807 -1.773 -0.168) 5.126 4.108 ( -4.807 1.773 -0.168) 5.126 4.214 ( -2.799 -1.774 1.984) 3.863 4.214 ( -2.799 1.774 1.984) 3.863 4.357 ( 1.960 -2.093 -0.962) 3.025 4.357 ( 1.960 2.093 -0.962) 3.025 4.501 ( 0.027 -2.009 -0.377) 2.044 4.501 ( 0.027 2.009 -0.377) 2.044 4.633 ( 2.241 -1.471 0.031) 2.681 4.633 ( 2.241 1.471 0.031) 2.681 5.273 ( 0.868 -1.786 0.028) 1.986 5.273 ( 0.868 1.786 0.028) 1.986 6.351 ( 0.656 -0.226 0.030) 0.694 6.351 ( 0.656 0.226 0.030) 0.694 8.637 ( 0.400 -1.356 -0.183) 1.425 8.637 ( 0.400 1.356 -0.183) 1.425 13.210 ( -3.067 -0.431 -0.134) 3.100 13.210 ( -3.067 0.431 -0.134) 3.100 13.350 ( -1.494 -0.366 -0.319) 1.571 13.350 ( -1.494 0.366 -0.319) 1.571 13.656 ( 2.970 -2.657 -3.621) 5.385 13.656 ( 2.970 2.657 -3.621) 5.385 13.709 ( 1.998 -3.040 4.369) 5.686 13.709 ( 1.998 3.040 4.369) 5.686 14.023 ( -0.079 -0.381 -0.087) 0.399 14.023 ( -0.079 0.381 -0.087) 0.399 ======================= Grid point 167 (91/92) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.908 -5.490 1.902) 5.881 1.023 ( -0.908 5.490 1.902) 5.881 1.328 ( -2.269 -4.157 -1.646) 5.014 1.328 ( -2.269 4.157 -1.646) 5.014 1.486 ( 0.074 -6.746 -5.193) 8.514 1.486 ( 0.074 6.746 -5.193) 8.514 1.752 ( 1.786 -4.504 -2.576) 5.488 1.752 ( 1.786 4.504 -2.576) 5.488 1.935 ( 0.809 -3.464 2.594) 4.403 1.935 ( 0.809 3.464 2.594) 4.403 2.160 ( 1.841 -4.530 4.063) 6.358 2.160 ( 1.841 4.530 4.063) 6.358 2.264 ( 1.486 -2.723 1.354) 3.385 2.264 ( 1.486 2.723 1.354) 3.385 2.439 ( 3.151 -4.727 2.578) 6.238 2.439 ( 3.151 4.727 2.578) 6.238 2.534 ( -0.690 -2.990 1.346) 3.351 2.534 ( -0.690 2.990 1.346) 3.351 2.922 ( 3.973 -5.147 -3.287) 7.286 2.922 ( 3.973 5.147 -3.287) 7.286 3.038 ( 1.789 -1.692 2.353) 3.406 3.038 ( 1.789 1.692 2.353) 3.406 3.127 ( -7.623 -2.638 -5.821) 9.948 3.127 ( -7.623 2.638 -5.821) 9.948 3.361 ( 0.301 -0.842 -0.165) 0.909 3.361 ( 0.301 0.842 -0.165) 0.909 3.474 ( -1.303 -3.018 1.437) 3.587 3.474 ( -1.303 3.018 1.437) 3.587 3.611 ( -5.489 -1.303 -2.496) 6.169 3.611 ( -5.489 1.303 -2.496) 6.169 3.712 ( -1.139 -1.238 1.113) 2.017 3.712 ( -1.139 1.238 1.113) 2.017 3.902 ( -1.597 -2.352 0.653) 2.917 3.902 ( -1.597 2.352 0.653) 2.917 4.026 ( -4.129 -3.860 0.250) 5.658 4.026 ( -4.129 3.860 0.250) 5.658 4.191 ( -3.046 -2.625 2.020) 4.500 4.191 ( -3.046 2.625 2.020) 4.500 4.386 ( 2.396 -3.182 -0.705) 4.045 4.386 ( 2.396 3.182 -0.705) 4.045 4.485 ( -0.784 -2.513 -0.733) 2.733 4.485 ( -0.784 2.513 -0.733) 2.733 4.670 ( 2.312 -1.713 -0.332) 2.897 4.670 ( 2.312 1.713 -0.332) 2.897 5.286 ( 0.923 -2.554 -0.349) 2.738 5.286 ( 0.923 2.554 -0.349) 2.738 6.364 ( 0.763 -0.229 0.240) 0.832 6.364 ( 0.763 0.229 0.240) 0.832 8.644 ( 0.637 -2.165 -0.068) 2.258 8.644 ( 0.637 2.165 -0.068) 2.258 13.156 ( -3.210 -0.747 -0.202) 3.302 13.156 ( -3.210 0.747 -0.202) 3.302 13.319 ( -1.862 -0.486 -0.231) 1.938 13.319 ( -1.862 0.486 -0.231) 1.938 13.678 ( 3.567 -2.647 -2.431) 5.064 13.678 ( 3.567 2.647 -2.431) 5.064 13.779 ( 1.465 -3.071 2.799) 4.405 13.779 ( 1.465 3.071 2.799) 4.405 14.025 ( 0.267 -0.536 0.365) 0.701 14.025 ( 0.267 0.536 0.365) 0.701 ======================= Grid point 169 (92/92) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.033 -8.082 3.901) 9.033 1.046 ( -1.033 8.082 3.901) 9.033 1.285 ( -1.006 -3.426 -1.370) 3.824 1.285 ( -1.006 3.426 -1.370) 3.824 1.404 ( 0.024 -3.951 -7.256) 8.262 1.404 ( 0.024 3.951 -7.256) 8.262 1.747 ( 0.310 -1.485 -0.392) 1.567 1.747 ( 0.310 1.485 -0.392) 1.567 1.967 ( -0.077 -3.819 1.711) 4.185 1.967 ( -0.077 3.819 1.711) 4.185 2.241 ( 1.954 -5.888 4.019) 7.392 2.241 ( 1.954 5.888 4.019) 7.392 2.333 ( 2.714 -3.613 1.842) 4.880 2.333 ( 2.714 3.613 1.842) 4.880 2.472 ( -2.604 -3.142 4.195) 5.853 2.472 ( -2.604 3.142 4.195) 5.853 2.582 ( 6.519 -2.714 -2.637) 7.538 2.582 ( 6.519 2.714 -2.637) 7.538 2.888 ( -6.073 -4.534 -2.769) 8.069 2.888 ( -6.073 4.534 -2.769) 8.069 2.974 ( 2.805 -3.352 -3.527) 5.617 2.974 ( 2.805 3.352 -3.527) 5.617 3.127 ( 3.189 -2.564 -0.035) 4.093 3.127 ( 3.189 2.564 -0.035) 4.093 3.354 ( -3.115 -1.536 -0.864) 3.579 3.354 ( -3.115 1.536 -0.864) 3.579 3.423 ( -5.484 -5.223 1.759) 7.775 3.423 ( -5.484 5.223 1.759) 7.775 3.538 ( 0.007 -1.581 -1.049) 1.897 3.538 ( 0.007 1.581 -1.049) 1.897 3.713 ( -0.139 -1.969 1.480) 2.467 3.713 ( -0.139 1.969 1.480) 2.467 3.855 ( -2.960 -3.393 -1.147) 4.647 3.855 ( -2.960 3.393 -1.147) 4.647 4.007 ( -0.219 -2.318 1.660) 2.860 4.007 ( -0.219 2.318 1.660) 2.860 4.158 ( -3.131 -3.049 1.174) 4.525 4.158 ( -3.131 3.049 1.174) 4.525 4.410 ( 1.346 -4.769 -0.306) 4.965 4.410 ( 1.346 4.769 -0.306) 4.965 4.467 ( -0.441 -3.748 -0.833) 3.865 4.467 ( -0.441 3.748 -0.833) 3.865 4.695 ( 1.233 -1.576 -0.430) 2.047 4.695 ( 1.233 1.576 -0.430) 2.047 5.292 ( 0.493 -2.193 -0.715) 2.359 5.292 ( 0.493 2.193 -0.715) 2.359 6.378 ( 0.546 -0.106 0.358) 0.661 6.378 ( 0.546 0.106 0.358) 0.661 8.655 ( 0.592 -1.968 0.034) 2.056 8.655 ( 0.592 1.968 0.034) 2.056 13.111 ( -2.171 -0.455 0.223) 2.230 13.111 ( -2.171 0.455 0.223) 2.230 13.292 ( -1.019 -0.438 -0.181) 1.124 13.292 ( -1.019 0.438 -0.181) 1.124 13.706 ( 2.327 -1.669 -1.550) 3.256 13.706 ( 2.327 1.669 -1.550) 3.256 13.814 ( 0.368 -1.956 1.074) 2.261 13.814 ( 0.368 1.956 1.074) 2.261 14.039 ( 0.516 -0.524 0.737) 1.041 14.039 ( 0.516 0.524 0.737) 1.041 =================== 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 3/16200 10.0 95.050 96.015 113.863 0.000 -16.688 0.000 3/16200 20.0 21.108 22.914 27.709 0.000 -3.301 0.000 3/16200 30.0 9.781 10.238 12.458 0.000 -1.494 0.000 3/16200 40.0 6.092 6.225 7.550 0.000 -0.921 0.000 3/16200 50.0 4.411 4.435 5.358 0.000 -0.661 0.000 3/16200 60.0 3.474 3.452 4.159 0.000 -0.517 0.000 3/16200 70.0 2.880 2.837 3.411 0.000 -0.426 0.000 3/16200 80.0 2.469 2.416 2.902 0.000 -0.363 0.000 3/16200 90.0 2.168 2.111 2.534 0.000 -0.318 0.000 3/16200 100.0 1.938 1.878 2.255 0.000 -0.283 0.000 3/16200 110.0 1.757 1.696 2.038 0.000 -0.256 0.000 3/16200 120.0 1.610 1.549 1.864 0.000 -0.234 0.000 3/16200 130.0 1.490 1.429 1.722 0.000 -0.216 0.000 3/16200 140.0 1.389 1.328 1.604 0.000 -0.201 0.000 3/16200 150.0 1.302 1.242 1.503 0.000 -0.189 0.000 3/16200 160.0 1.228 1.168 1.417 0.000 -0.178 0.000 3/16200 170.0 1.163 1.103 1.342 0.000 -0.168 0.000 3/16200 180.0 1.106 1.047 1.277 0.000 -0.160 0.000 3/16200 190.0 1.055 0.996 1.218 0.000 -0.153 0.000 3/16200 200.0 1.009 0.951 1.166 0.000 -0.146 0.000 3/16200 210.0 0.967 0.910 1.119 0.000 -0.140 0.000 3/16200 220.0 0.929 0.873 1.076 0.000 -0.135 0.000 3/16200 230.0 0.895 0.839 1.037 0.000 -0.130 0.000 3/16200 240.0 0.863 0.809 1.001 0.000 -0.125 0.000 3/16200 250.0 0.834 0.780 0.968 0.000 -0.121 0.000 3/16200 260.0 0.806 0.754 0.938 0.000 -0.117 0.000 3/16200 270.0 0.781 0.729 0.909 0.000 -0.114 0.000 3/16200 280.0 0.757 0.706 0.883 0.000 -0.110 0.000 3/16200 290.0 0.735 0.685 0.858 0.000 -0.107 0.000 3/16200 300.0 0.714 0.665 0.834 0.000 -0.104 0.000 3/16200 310.0 0.694 0.646 0.812 0.000 -0.102 0.000 3/16200 320.0 0.676 0.629 0.791 0.000 -0.099 0.000 3/16200 330.0 0.658 0.612 0.772 0.000 -0.097 0.000 3/16200 340.0 0.642 0.596 0.753 0.000 -0.094 0.000 3/16200 350.0 0.626 0.581 0.735 0.000 -0.092 0.000 3/16200 360.0 0.611 0.567 0.719 0.000 -0.090 0.000 3/16200 370.0 0.597 0.554 0.703 0.000 -0.088 0.000 3/16200 380.0 0.583 0.541 0.687 0.000 -0.086 0.000 3/16200 390.0 0.570 0.529 0.673 0.000 -0.084 0.000 3/16200 400.0 0.558 0.517 0.659 0.000 -0.083 0.000 3/16200 410.0 0.546 0.506 0.645 0.000 -0.081 0.000 3/16200 420.0 0.535 0.495 0.633 0.000 -0.079 0.000 3/16200 430.0 0.524 0.485 0.620 0.000 -0.078 0.000 3/16200 440.0 0.514 0.475 0.609 0.000 -0.076 0.000 3/16200 450.0 0.504 0.466 0.597 0.000 -0.075 0.000 3/16200 460.0 0.494 0.457 0.586 0.000 -0.074 0.000 3/16200 470.0 0.485 0.448 0.576 0.000 -0.072 0.000 3/16200 480.0 0.476 0.440 0.566 0.000 -0.071 0.000 3/16200 490.0 0.467 0.432 0.556 0.000 -0.070 0.000 3/16200 500.0 0.459 0.424 0.547 0.000 -0.069 0.000 3/16200 510.0 0.451 0.417 0.538 0.000 -0.068 0.000 3/16200 520.0 0.443 0.410 0.529 0.000 -0.066 0.000 3/16200 530.0 0.436 0.403 0.521 0.000 -0.065 0.000 3/16200 540.0 0.429 0.396 0.512 0.000 -0.064 0.000 3/16200 550.0 0.422 0.390 0.504 0.000 -0.063 0.000 3/16200 560.0 0.415 0.384 0.497 0.000 -0.062 0.000 3/16200 570.0 0.409 0.378 0.489 0.000 -0.062 0.000 3/16200 580.0 0.402 0.372 0.482 0.000 -0.061 0.000 3/16200 590.0 0.396 0.366 0.475 0.000 -0.060 0.000 3/16200 600.0 0.390 0.361 0.468 0.000 -0.059 0.000 3/16200 610.0 0.385 0.355 0.462 0.000 -0.058 0.000 3/16200 620.0 0.379 0.350 0.455 0.000 -0.057 0.000 3/16200 630.0 0.374 0.345 0.449 0.000 -0.057 0.000 3/16200 640.0 0.368 0.340 0.443 0.000 -0.056 0.000 3/16200 650.0 0.363 0.335 0.437 0.000 -0.055 0.000 3/16200 660.0 0.358 0.331 0.431 0.000 -0.054 0.000 3/16200 670.0 0.353 0.326 0.426 0.000 -0.054 0.000 3/16200 680.0 0.349 0.322 0.420 0.000 -0.053 0.000 3/16200 690.0 0.344 0.318 0.415 0.000 -0.052 0.000 3/16200 700.0 0.340 0.314 0.410 0.000 -0.052 0.000 3/16200 710.0 0.335 0.310 0.405 0.000 -0.051 0.000 3/16200 720.0 0.331 0.306 0.400 0.000 -0.050 0.000 3/16200 730.0 0.327 0.302 0.395 0.000 -0.050 0.000 3/16200 740.0 0.323 0.298 0.391 0.000 -0.049 0.000 3/16200 750.0 0.319 0.295 0.386 0.000 -0.049 0.000 3/16200 760.0 0.315 0.291 0.382 0.000 -0.048 0.000 3/16200 770.0 0.311 0.288 0.377 0.000 -0.048 0.000 3/16200 780.0 0.308 0.284 0.373 0.000 -0.047 0.000 3/16200 790.0 0.304 0.281 0.369 0.000 -0.047 0.000 3/16200 800.0 0.301 0.278 0.365 0.000 -0.046 0.000 3/16200 810.0 0.297 0.275 0.361 0.000 -0.046 0.000 3/16200 820.0 0.294 0.272 0.357 0.000 -0.045 0.000 3/16200 830.0 0.291 0.269 0.353 0.000 -0.045 0.000 3/16200 840.0 0.287 0.266 0.350 0.000 -0.044 0.000 3/16200 850.0 0.284 0.263 0.346 0.000 -0.044 0.000 3/16200 860.0 0.281 0.260 0.342 0.000 -0.043 0.000 3/16200 870.0 0.278 0.257 0.339 0.000 -0.043 0.000 3/16200 880.0 0.275 0.254 0.335 0.000 -0.042 0.000 3/16200 890.0 0.273 0.252 0.332 0.000 -0.042 0.000 3/16200 900.0 0.270 0.249 0.329 0.000 -0.042 0.000 3/16200 910.0 0.267 0.247 0.326 0.000 -0.041 0.000 3/16200 920.0 0.264 0.244 0.322 0.000 -0.041 0.000 3/16200 930.0 0.262 0.242 0.319 0.000 -0.040 0.000 3/16200 940.0 0.259 0.239 0.316 0.000 -0.040 0.000 3/16200 950.0 0.257 0.237 0.313 0.000 -0.040 0.000 3/16200 960.0 0.254 0.235 0.310 0.000 -0.039 0.000 3/16200 970.0 0.252 0.233 0.308 0.000 -0.039 0.000 3/16200 980.0 0.249 0.230 0.305 0.000 -0.039 0.000 3/16200 990.0 0.247 0.228 0.302 0.000 -0.038 0.000 3/16200 1000.0 0.245 0.226 0.299 0.000 -0.038 0.000 3/16200 Thermal conductivity related properties were written into "kappa-m965.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:19:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|